A0A087XU17_POEFO Loading...

Ajuba LIM protein

AlphaFold DB , UniProt , Accession A0A087XU17, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 658 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.2Very low36.4Very low234 Ų234160.9 Ų160.9100%1.15383%0.831SS**  0102.50-73.3-65.2-161.400107
2D32.9Very low36Very low173 Ų173162.8 Ų162.893%0.92584%0.842SS**  trans-166.8116.5169.5-110.5-42.2000115.2
3R38.7Very low35.7Very low221 Ų221164.5 Ų164.583%0.83484%0.839SS**  trans163.2145.6162.2-103.1179.4174.2-172.9-1.5107.3
4P54.2Low35.4Very low112 Ų112165.6 Ų165.673%0.72785%0.847SS**  -141136.658.935.3-14.6000116
5I37.2Very low35.3Very low139 Ų139161.7 Ų161.771%0.71383%0.834SS**  85.8133.896.8-65.9167.7000116.9
6S34.3Very low35.2Very low92 Ų92160.5 Ų160.564%0.64383%0.829SS**  trans97.4136.1149.4-94.60000123.1
7K32.5Very low35.1Very low190 Ų190156.5 Ų156.583%0.82683%0.825SS**  trans70.3130.6150.9-67.4166.2-173178.70116.2
8L33.6Very low34.9Very low167 Ų167152.1 Ų152.187%0.87482%0.824SS**  cis-153.6157.327.6-117.8157.2000112.5
9L38Very low34.7Very low171 Ų171149.9 Ų149.990%0.89582%0.821SS**  trans-86.7158.3166.4-94.8163.3000111.6
10G31.6Very low34.8Very low63 Ų63148.8 Ų148.865%0.64982%0.819SS**  trans118.698.8151.600000117.2
11K33.2Very low34.6Very low208 Ų208151 Ų15190%0.90482%0.82SS**  trans168.289.4137.3-90152.6-168.3172.10111.1
12L31.5Very low34.4Very low184 Ų184149.6 Ų149.696%0.96381%0.808SS**  trans-120.1113.1149.7-95.2166.4000105.9
13K32.5Very low34.1Very low185 Ų185148.5 Ų148.580%0.80480%0.802SS**  trans-125.298.4-171.4-171.3172.4-176.1175.60109T15K13-T15 PolarHBondContact O-N 3.4Å
14L31.6Very low33.7Very low180 Ų180143.4 Ų143.494%0.94280%0.8SS**  trans-74.5109.2171-79.3162.8000109.2
15T34.4Very low32.6Very low107 Ų107143.2 Ų143.266%0.65680%0.802SS**  trans-89.4153.115351.80000107.8K13K13-T15 PolarHBondContact O-N 3.4Å
16D32.5Very low32.2Very low142 Ų142146.5 Ų146.576%0.75981%0.811SS**  cis-148152.715.7-159.2-85.4000111.1
17A33.3Very low32Very low92 Ų92151.6 Ų151.676%0.7682%0.821SS**  trans-151.6120.8165.900000109S19A17-S19 PolarHBondContact O-N 2.96Å
18G31.9Very low31.9Very low77 Ų77150 Ų15079%0.79482%0.815SS**  trans-68.9116-166.400000114.7
19S30.4Very low31.8Very low111 Ų111150 Ų15078%0.77681%0.81SS**  trans-98.8113.9169.3-175.80000110.6A17A17-S19 PolarHBondContact O-N 2.96Å
20V37.8Very low31.3Very low127 Ų127147.4 Ų147.477%0.7780%0.796SS**  trans-81.6121.8179.9-178.50000110F22V20-F22 PolarHBondContact O-N 3.27Å
21K30.7Very low31.2Very low196 Ų196149.3 Ų149.385%0.85280%0.8SS**  trans-82.1115.6-177.6-66.6175.9-179.1173.70111.5
22F29Very low31Very low205 Ų205145.8 Ų145.890%0.89980%0.796SS**  trans-71.8131.4163.6-86.5-91.2000110.9V20V20-F22 PolarHBondContact O-N 3.27Å
23N28.2Very low30.8Very low150 Ų150142.3 Ų142.380%0.80279%0.787SS**  trans-94.6119.5178-176.225.6000109.9
24S29.7Very low30.6Very low114 Ų114140.2 Ų140.280%0.79779%0.785SS**  trans-121.4107-180-169.30000111.3K26S24-K26 PolarHBondContact O-N 3.31Å; S24-K26 VanDerWaalsContact O-N 3.12Å
25S30.4Very low30.6Very low108 Ų108136.2 Ų136.276%0.75577%0.772SS**  trans-73.898.8-173.5-65.40000112.3K27S25-K27 PolarHBondContact O-N 3.03Å
26K30Very low30.4Very low208 Ų208139.2 Ų139.290%0.90478%0.784SS**  trans-71.290.6178.9-170.1165-175.7167.90112.3S24 K28S24-K26 PolarHBondContact O-N 3.31Å; S24-K26 VanDerWaalsContact O-N 3.12Å; K26-K28 PolarHBondContact O-N 2.78Å
27K28.9Very low30.4Very low199 Ų199139 Ų13987%0.86578%0.783SS**  trans-70.7118175-169.6174.4-178-179.40110.8S25S25-K27 PolarHBondContact O-N 3.03Å
28K31Very low30.4Very low157 Ų157140.6 Ų140.668%0.68379%0.788SS**  trans-66.8150.2168.4-93.9-173.2149.9-131.40111.3K26 D30K26-K28 PolarHBondContact O-N 2.78Å; K28-D30 IonicContact NZ-OD1 3.63Å; K28-D30 IonicContact NZ-OD2 2.79Å; K28-D30 PolarHBondContact NZ-OD2 3.07Å
29H30.3Very low30.4Very low167 Ų167143.5 Ų143.577%0.77379%0.785SS**  trans-140.8120.4148.2-156.4-88.7000108.6S31H29-S31 PolarHBondContact CE1-OG 3.04Å; H29-S31 PolarHBondContact ND1-OG 3.47Å; H29-S31 VanDerWaalsContact ND1-OG 3.16Å
30D29Very low30.4Very low115 Ų115143 Ų14362%0.61579%0.788SS**  trans-93139.7172.7-74.9-82.3000108.3K28K28-D30 IonicContact NZ-OD1 3.63Å; K28-D30 IonicContact NZ-OD2 2.79Å; K28-D30 PolarHBondContact NZ-OD2 3.07Å
31S28.8Very low30.2Very low103 Ų103143.2 Ų143.272%0.7279%0.785SS**  trans-155.8109.1174.8-68.40000111.1H29H29-S31 PolarHBondContact CE1-OG 3.04Å; H29-S31 PolarHBondContact ND1-OG 3.47Å; H29-S31 VanDerWaalsContact ND1-OG 3.16Å
32T29.1Very low30.4Very low135 Ų135140.4 Ų140.483%0.82878%0.778SS**  trans-95.4136.1179.3-43.90000109.9
33S27.9Very low30.6Very low111 Ų111136 Ų13678%0.77677%0.772SS**  167.7126.4127.4-77.90000115.8
34N27.6Very low30.7Very low141 Ų141132.7 Ų132.775%0.75477%0.774SS**  trans57.2117.2133.9-15525.6000122.8
35S32.4Very low30.7Very low95 Ų95132 Ų13266%0.66478%0.775SS**  trans-14.5147.7144.8-40000119.5
36N29.6Very low30.7Very low171 Ų171132.9 Ų132.991%0.91478%0.781SS**  trans-147.5156.4134-117.9-29.9000111.6
37N31.5Very low30.9Very low137 Ų137127.5 Ų127.573%0.73378%0.775SS**  trans-121.8145.7-168.2179.716.2000111.2
38S34.3Very low31.9Very low125 Ų125124 Ų12487%0.87477%0.773SS**  trans-147.9140165.2-78.80000109.8
39N32.2Very low31.9Very low138 Ų138119.7 Ų119.774%0.73877%0.774SS**  trans-133.8142.1-161.1176.822.7000111.8
40A29.9Very low32Very low100 Ų100117.7 Ų117.783%0.82678%0.778SS**  trans-146.286.8174.100000112.3
41N33.9Very low32.1Very low132 Ų132116.9 Ų116.971%0.70679%0.787SS**  trans-59.4163.8172.1-142.611.8000110.9
42I35.6Very low32.3Very low138 Ų138117 Ų11771%0.70880%0.795SS**  cis-153.6169.425.6-32157.8000111.3
43S32.2Very low32.4Very low112 Ų112115.7 Ų115.778%0.78380%0.797SS**  trans90.6137.7150.8-54.10000118.8
44G30.2Very low32.5Very low81 Ų81115.9 Ų115.984%0.83580%0.799SS**  cis127.390-21.100000117.6
45A30Very low33.4Very low98 Ų98114.9 Ų114.981%0.8180%0.8SS**  trans-155.212116000000113.4
46S30.7Very low33.4Very low127 Ų127115.8 Ų115.889%0.88881%0.806SS**  trans44.6134.4149.6-53.70000124.3
47A33.2Very low33.5Very low95 Ų95118.3 Ų118.379%0.78580%0.803SS**  trans-109.2-161.7163.800000109.1
48P50.5Low34.2Very low125 Ų125117.5 Ų117.581%0.81281%0.805SS**  cis-142.5170.7-143.4-24.7000118.3
49G30.8Very low34Very low68 Ų68115.1 Ų115.170%0.70179%0.793SS**  78.3123.1122.200000124.4
50S33.8Very low33.9Very low124 Ų124117 Ų11787%0.86780%0.798SS**  98121.3128.7-56.60000124
51A30.9Very low33.8Very low98 Ų98121.8 Ų121.881%0.8180%0.8SS**  trans68.9107.4131.700000124.9
52A31.3Very low33.6Very low107 Ų107120.5 Ų120.588%0.88480%0.801SS**  trans23133.6133.600000125
53A31Very low33.3Very low106 Ų106121.1 Ų121.188%0.87681%0.811SS**  trans-169.4162.3139.100000113.2
54S30.5Very low33.3Very low115 Ų115121 Ų12180%0.80482%0.818SS**  trans-96.5170.8176.6-470000113
55P47.4Very low33.3Very low120 Ų120120.6 Ų120.678%0.77981%0.813SS**  -159.2159.610040.1-20.1000120.4
56S32.5Very low33.2Very low114 Ų114123.2 Ų123.280%0.79781%0.814SS**  trans44.3114.4136.9-54.70000127.1
57R31.7Very low33.2Very low225 Ų225121.6 Ų121.685%0.84981%0.808SS**  37.6137.8112.7-132.8-175.2179.9-1560.2122.7
58P44.6Very low32.9Very low119 Ų119120.6 Ų120.677%0.77381%0.807SS**  -127.9170.396.59.613.4000112.3
59A30.3Very low32.2Very low75 Ų75121.4 Ų121.462%0.6281%0.809SS**  cis70.7136.344.100000114.1
60Q30.6Very low32.9Very low179 Ų179124 Ų12484%0.83681%0.814SS**  cis-167.4150.8-4.4-128.9-178.15.900108.8
61F27.2Very low32.7Very low200 Ų200122.4 Ų122.488%0.87781%0.808SS**  trans172164.4136.2-115.9-91.1000113.7
62S30.9Very low32.9Very low104 Ų104123.7 Ų123.773%0.72781%0.806SS**  trans-141.3154.5-178.1-50.40000113
63T29.8Very low33.3Very low151 Ų151124.7 Ų124.793%0.92680%0.803SS**  trans-144.6166.5160.334.90000109.7
64A32.1Very low33.3Very low111 Ų111124.7 Ų124.792%0.91780%0.797SS**  trans-145.6172.5-15800000115.5
65G29Very low33.3Very low71 Ų71124.3 Ų124.373%0.73279%0.794SS**  trans115.4151.4169.700000114.2
66D28.3Very low32.4Very low154 Ų154123.7 Ų123.782%0.82479%0.792SS**  cis-162.2155-19.7-165.3-106.5000109.9
67A30.9Very low32.2Very low93 Ų93123.9 Ų123.977%0.76979%0.789SS**  trans52.7150.7171.200000119.6
68G27.4Very low32Very low74 Ų74121.5 Ų121.576%0.76379%0.792SS**  cis-172.3165.2-4.700000111.6
69V35.5Very low31.1Very low141 Ų141119 Ų11986%0.85579%0.788SS**  trans-111.4146177.3-1500000108.9
70P45.3Very low31.1Very low124 Ų124119.8 Ų119.881%0.80580%0.795SS**  -145.2176.3105.934.1-17.3000112.3
71A29.1Very low30.9Very low89 Ų89119 Ų11974%0.73680%0.796SS**  cis-166.8159.8-33.600000107.1
72T34.6Very low30.9Very low126 Ų126112.7 Ų112.777%0.77379%0.787SS**  trans-84166.9166510000111.2
73P41.3Very low30.6Very low128 Ų128116.9 Ų116.983%0.83180%0.796SS**  -131.4166123.937.5-30.7000113.9
74S30.8Very low30.5Very low105 Ų105118.4 Ų118.473%0.73479%0.792SS**  trans-113.8-179.4-177.7-48.80000111.5
75S29.6Very low31.1Very low108 Ų108118 Ų11876%0.75578%0.781SS**  trans114.4124.1165.5-49.70000113.3
76S28.9Very low30.9Very low106 Ų106122.4 Ų122.474%0.74179%0.786SS**  76.9143.980.7-47.50000112.4
77T28Very low31.2Very low118 Ų118123.3 Ų123.372%0.72479%0.785SS**  cis-169.1157.310.5-3.90000111.2
78L28.1Very low31.7Very low175 Ų175124.1 Ų124.192%0.91678%0.782SS**  trans64.6154.5158-57.8162.6000118.3
79G26.1Very low31.7Very low67 Ų67125.4 Ų125.469%0.69178%0.78SS**  cis167.4155.9-11.400000113.9
80A29.2Very low31.3Very low92 Ų92124.6 Ų124.676%0.7678%0.776SS**  trans63.6162.716700000118.7
81D27.7Very low30.5Very low162 Ų162126.1 Ų126.187%0.86678%0.776SS**  cis-157.11612.4-128.4-35.5000112.7
82G26.5Very low30.3Very low67 Ų67126 Ų12669%0.69178%0.775SS**  trans71.5148.5165.300000119.5
83E25.2Very low30Very low193 Ų193128.2 Ų128.290%0.90278%0.777SS**  cis-147.2160.4-8.2-76.6-168.185.700111.8
84Q27.7Very low29.3Very low182 Ų182129.6 Ų129.685%0.8578%0.776SS**  trans-134.7170.3163.4-75.8-163.3-56.500107.2
85P43.6Very low29.1Very low104 Ų104135.9 Ų135.968%0.67578%0.784SS**  cis-137.4-17210.533.1-9.7000114.9
86L25.9Very low29.2Very low162 Ų162141.8 Ų141.885%0.84879%0.79SS**  160.8136.3119.9-82.9171.6000114.2
87H33.4Very low29.7Very low174 Ų174143 Ų14381%0.80680%0.795SS**  trans-100.7173.1158-105.7-116.3000107.8
88P40.9Very low29.7Very low109 Ų109142.1 Ų142.171%0.70879%0.794SS**  cis-145.2171.52343.1-23.4000118.8
89S27.4Very low29.8Very low102 Ų102138.5 Ų138.571%0.71378%0.783SS**  trans47.3147.1138.9-57.40000125.8
90T27.2Very low30Very low124 Ų124142.8 Ų142.876%0.76179%0.785SS**  trans110.6142137.3-19.90000119.5
91L29.5Very low30Very low156 Ų156145.3 Ų145.382%0.81778%0.781SS**  trans72.3117.2170.1-55.4-177.4000116.2
92A25.3Very low30Very low87 Ų87148.2 Ų148.272%0.71978%0.78SS**  80.614681.100000112.4
93Q28.7Very low30Very low171 Ų171149.3 Ų149.380%0.79978%0.783SS**  cis-141.4140.732.9-67.5-178.640.500111
94L24.8Very low30.2Very low157 Ų157145.1 Ų145.182%0.82278%0.775SS**  46.79988-69.3169.5000116.6
95R27.4Very low30.4Very low238 Ų238142.8 Ų142.890%0.89878%0.777SS**  -178.9135.4106.6-102178.6176.7131.2-1.3116.2
96R32.6Very low29.7Very low232 Ų232147.7 Ų147.788%0.87578%0.783SS**  trans-81.8167.7144.5-84.5-178.1179.5-178.90.4107.9
97P38.5Very low30Very low131 Ų131146.9 Ų146.985%0.85178%0.779SS**  cis-147.2-153.337.944.3-22000115.6
98S27.1Very low29.8Very low100 Ų100143.9 Ų143.970%0.69977%0.773SS**  trans-109.1-176-172.760.80000113.7
99S30.9Very low29.3Very low98 Ų98146.3 Ų146.369%0.68578%0.78SS**  trans92125.1141.270.40000121.8
100Q30.6Very low29.5Very low157 Ų157144.5 Ų144.573%0.73478%0.777SS**  trans85.6142.1132.4-84.4-171.224.700123.2
101Q28.7Very low29.7Very low145 Ų145145.9 Ų145.968%0.67879%0.786SS**  trans60.9124.2150.1-65.1176.544.700120.2
102R28.9Very low29.7Very low223 Ų223146.5 Ų146.584%0.84278%0.784SS**  167.1141.987.4180166-86.2-139.5-3.5113.7
103A26.4Very low29.9Very low91 Ų91147.4 Ų147.475%0.75279%0.791SS**  trans-28.4162.4170.600000121.9
104S29.1Very low30.3Very low105 Ų105147 Ų14773%0.73479%0.789SS**  135.2122.3118.4-165.40000116.4
105C31.4Very low30.6Very low132 Ų132148.2 Ų148.289%0.89280%0.796SS**  trans-164.2167.9142.233.70000109.5
106Y29.8Very low30.6Very low208 Ų208139.9 Ų139.982%0.81678%0.784SS**  trans-155.4160.5-151.1-129.8-73.8000111.7
107L32.3Very low30.4Very low144 Ų144136.9 Ų136.975%0.75478%0.784SS**  trans70.8158.8167.1-54.1176.2000116.2
108T28.5Very low30Very low111 Ų111136.4 Ų136.468%0.68178%0.779SS**  cis-153159.33.6-11.90000111.3
109D30.6Very low31.1Very low160 Ų160136.9 Ų136.986%0.85678%0.78SS**  trans24.4163.5151-82.4-76000125.4
110G31.7Very low30.9Very low64 Ų64140 Ų14066%0.6679%0.789SS**  trans-135.2-172.1178.900000114.3
111V30.9Very low30.8Very low154 Ų154136.9 Ų136.993%0.93379%0.79SS**  trans-151.7156.9175.7-97.50000111.5
112E29.9Very low31.1Very low168 Ų168137.5 Ų137.579%0.78580%0.798SS**  trans-80163.2-174.3-62.8170.575.900115.3H114E112-H114 IonicContact OE1-CD2 3.54Å
113A29.3Very low32.4Very low106 Ų106131.8 Ų131.888%0.87679%0.79SS**  trans-147.797.4149.100000110.6
114H36.2Very low32.8Very low163 Ų163134.4 Ų134.476%0.75580%0.796SS**  trans-105.7113.2179.6-101.1-64.8000112.3E112E112-H114 IonicContact OE1-CD2 3.54Å
115L31Very low32.9Very low183 Ų183132.5 Ų132.596%0.95879%0.793SS**  trans-158.3139.5156-70.2-177000108.4
116G27.5Very low33.4Very low63 Ų63131.5 Ų131.565%0.64979%0.794SS**  cis164116-13.100000113.8
117L29.8Very low33.9Very low168 Ų168129.3 Ų129.388%0.8880%0.796SS**  trans67.4154158.2-44.4178000118.7
118T29.7Very low34.4Very low122 Ų122125.7 Ų125.775%0.74879%0.793SS**  cis-148.9-140.3-30.133.40000108.4
119P49Very low35.4Very low109 Ų109124.5 Ų124.571%0.70879%0.789SS**  -127.2167.4-118.839.5-19.8000116.6
120D28Very low36.4Very low164 Ų164125.3 Ų125.388%0.87779%0.785SS**  trans-167.7161.9130.2-128.6-43.1000113.9
121A28.4Very low37.3Very low91 Ų91125.5 Ų125.575%0.75278%0.78SS**  trans56.590.2164.800000121
122D34.7Very low38.4Very low158 Ų158120.1 Ų120.185%0.84575%0.75SS**  trans-82.9170.5141.6-107.5-48.8000109.8
123P56.3Low39.7Very low104 Ų104116.9 Ų116.968%0.67574%0.737SS**  cis-137.5-166.93.428.9-3.3000115.6
124V34.5Very low41.1Very low146 Ų146116.3 Ų116.389%0.88572%0.719SS**  trans83.5123.4160.1-167.70000117.4
125G30.8Very low42.4Very low65 Ų65115.7 Ų115.767%0.6772%0.717SS**  trans165.25.1167.600000119.6L127G125-L127 VanDerWaalsContact C-N 3.33Å; G125-L127 PolarHBondContact O-N 2.89Å
126A41.8Very low43.9Very low111 Ų111114.2 Ų114.292%0.91770%0.699SS**  trans-75.567.1-168.500000115.8
127L40.3Very low45.9Very low162 Ų162119.3 Ų119.385%0.84870%0.698SS**  trans-108.3104.7167.9-75.9173.8000110.9G125 S129G125-L127 VanDerWaalsContact C-N 3.33Å; G125-L127 PolarHBondContact O-N 2.89Å; L127-S129 PolarHBondContact O-N 3.3Å
128G44.5Very low47.3Very low68 Ų68118.8 Ų118.870%0.70169%0.686SS**  trans-61.9106.1-177.400000113.4K130G128-K130 PolarHBondContact O-N 3Å
129S48.9Very low49.7Very low85 Ų85116 Ų11659%0.59467%0.671SS**  trans-56.1129.4-179.1-52.50000112.1L127 A131 S132L127-S129 PolarHBondContact O-N 3.3Å; S129-A131 PolarHBondContact O-N 3.03Å; S129-S132 WeakPolarHBondContact O-CB 3.46Å; S129-S132 PolarHBondContact O-N 3.03Å; S129-S132 PolarHBondContact O-OG 3.41Å
130K52Low51.1Low177 Ų177115.1 Ų115.177%0.7766%0.66SS**THydrogen-bonded Turntrans-51.2-30.7-176.9-68.7178.1178.6174.90113.8G128 S132 L133 N134G128-K130 PolarHBondContact O-N 3Å; K130-S132 VanDerWaalsContact C-N 3.29Å; K130-S132 PolarHBondContact O-N 3.46Å; K130-L133 PolarHBondContact O-N 2.94Å; K130-N134 PolarHBondContact O-N 3.45Å
131A49.2Very low53.7Low68 Ų68112.8 Ų112.856%0.56264%0.644SS**Hα-helixtrans-52.3-4317300000113.1S129 L133 N134 Q135S129-A131 PolarHBondContact O-N 3.03Å; A131-L133 VanDerWaalsContact C-N 3.26Å; A131-L133 PolarHBondContact O-N 2.82Å; A131-N134 PolarHBondContact O-N 3.2Å; A131-Q135 PolarHBondContact O-N 2.98Å
132S54.1Low55.8Low41 Ų41112.5 Ų112.529%0.28763%0.629SS.*Hα-helixtrans-72.1-15-177.273.60000114.7S129 K130 R136S129-S132 WeakPolarHBondContact O-CB 3.46Å; S129-S132 PolarHBondContact O-N 3.03Å; S129-S132 PolarHBondContact O-OG 3.41Å; K130-S132 VanDerWaalsContact C-N 3.29Å; K130-S132 PolarHBondContact O-N 3.46Å; S132-R136 PolarHBondContact O-NE 2.99Å; S132-R136 PolarHBondContact O-NH2 2.83Å
133L57.9Low58Low100 Ų100111.3 Ų111.352%0.52462%0.619SS.*Hα-helixtrans-91.9-39170.5-69.5174.5000110.8K130 A131 R136 R137K130-L133 PolarHBondContact O-N 2.94Å; A131-L133 VanDerWaalsContact C-N 3.26Å; A131-L133 PolarHBondContact O-N 2.82Å; L133-R136 PolarHBondContact O-N 2.76Å; L133-R137 WeakPolarHBondContact O-CG 3.44Å; L133-R137 PolarHBondContact O-N 3.15Å
134N59.2Low59.4Low94 Ų94112.7 Ų112.750%0.50362%0.616SS.*Hα-helixtrans-64.6-41.1175.5-71.5-3.6000111.9K130 A131 R136 R137 Y138K130-N134 PolarHBondContact O-N 3.45Å; A131-N134 PolarHBondContact O-N 3.2Å; N134-R136 VanDerWaalsContact C-N 3.34Å; N134-R136 PolarHBondContact O-N 2.99Å; N134-R137 PolarHBondContact O-N 3.47Å; N134-Y138 WeakPolarHBondContact O-CB 3.35Å; N134-Y138 PolarHBondContact O-N 2.83Å
135Q63Low61.6Low151 Ų151111.1 Ų111.171%0.70660%0.602SS**Hα-helixtrans-58.6-44173.2-115.2174.9-8.500112.1A131 Y138 S139A131-Q135 PolarHBondContact O-N 2.98Å; Q135-Y138 PolarHBondContact O-N 3.15Å; Q135-S139 PolarHBondContact O-N 3.4Å; Q135-S139 PolarHBondContact O-OG 2.93Å
136R62.5Low64.2Low152 Ų152111.8 Ų111.857%0.57459%0.593SS**Hα-helixtrans-68.8-33.5178.4-90.1179-80.5-151.7-2.7113.5S132 L133 N134 S139 L140S132-R136 PolarHBondContact O-NE 2.99Å; S132-R136 PolarHBondContact O-NH2 2.83Å; L133-R136 PolarHBondContact O-N 2.76Å; N134-R136 VanDerWaalsContact C-N 3.34Å; N134-R136 PolarHBondContact O-N 2.99Å; R136-S139 WeakPolarHBondContact CA-OG 3.15Å; R136-S139 PolarHBondContact O-OG 2.94Å; R136-L140 WeakPolarHBondContact O-CD1 3.42Å; R136-L140 WeakPolarHBondContact O-CG 3.37Å; R136-L140 PolarHBondContact O-N 3.04Å
137R69.1Low65.9Low170 Ų170115.1 Ų115.164%0.64258%0.582SS**Hα-helixtrans-64.5-49.6170.2-75.9176.1172.6167.9-4.2111.2L133 N134 S139 L140 E141L133-R137 WeakPolarHBondContact O-CG 3.44Å; L133-R137 PolarHBondContact O-N 3.15Å; N134-R137 PolarHBondContact O-N 3.47Å; R137-S139 VanDerWaalsContact C-N 3.33Å; R137-S139 PolarHBondContact O-N 2.83Å; R137-L140 PolarHBondContact O-N 3.17Å; R137-E141 PolarHBondContact O-N 3.39Å
138Y60.1Low67.8Low157 Ų157115.9 Ų115.962%0.61657%0.573SS**Hα-helixtrans-60.2-40.5-179.5-165.7-110.4000112.7N134 Q135 L140 E141 L142N134-Y138 WeakPolarHBondContact O-CB 3.35Å; N134-Y138 PolarHBondContact O-N 2.83Å; Q135-Y138 PolarHBondContact O-N 3.15Å; Y138-L140 VanDerWaalsContact C-N 3.34Å; Y138-L140 PolarHBondContact O-N 3.11Å; Y138-E141 PolarHBondContact O-N 3.1Å; Y138-L142 HydrophobicContact CD1-CD1 3.83Å; Y138-L142 HydrophobicContact CE1-CD1 3.61Å; Y138-L142 WeakPolarHBondContact O-CB 3.35Å; Y138-L142 PolarHBondContact O-N 3.47Å
139S79.6Confident69.3Low63 Ų63119.5 Ų119.544%0.44157%0.572SS.*Hα-helixtrans-64.8-34.3173.655.30000113.5Q135 R136 R137 Q143Q135-S139 PolarHBondContact O-N 3.4Å; Q135-S139 PolarHBondContact O-OG 2.93Å; R136-S139 WeakPolarHBondContact CA-OG 3.15Å; R136-S139 PolarHBondContact O-OG 2.94Å; R137-S139 VanDerWaalsContact C-N 3.33Å; R137-S139 PolarHBondContact O-N 2.83Å; S139-Q143 WeakPolarHBondContact O-CB 3.33Å; S139-Q143 PolarHBondContact O-N 3.41Å; S139-Q143 VanDerWaalsContact O-N 3.08Å
140L78.9Confident70.5Confident90 Ų90121.3 Ų121.347%0.47157%0.571SS.*Hα-helixtrans-74.1-39.7177.3-76.6167.5000111.9R136 R137 Y138 Q143 Q144R136-L140 WeakPolarHBondContact O-CD1 3.42Å; R136-L140 WeakPolarHBondContact O-CG 3.37Å; R136-L140 PolarHBondContact O-N 3.04Å; R137-L140 PolarHBondContact O-N 3.17Å; Y138-L140 VanDerWaalsContact C-N 3.34Å; Y138-L140 PolarHBondContact O-N 3.11Å; L140-Q143 PolarHBondContact O-N 3.22Å; L140-Q144 WeakPolarHBondContact O-CB 3.47Å; L140-Q144 VanDerWaalsContact O-CG 3.28Å; L140-Q144 WeakPolarHBondContact O-CG 3.41Å; L140-Q144 PolarHBondContact O-N 3.25Å
141E82.1Confident71.3Confident116 Ų116118.4 Ų118.454%0.54256%0.563SS.*Hα-helixtrans-63.1-43.5174.5-71.2-179.9127.400111.5R137 Y138 Q143 Q144 L145R137-E141 PolarHBondContact O-N 3.39Å; Y138-E141 PolarHBondContact O-N 3.1Å; E141-Q143 PolarHBondContact O-N 1.92Å; E141-Q144 PolarHBondContact O-N 3.21Å; E141-L145 WeakPolarHBondContact O-CB 3.49Å; E141-L145 PolarHBondContact O-N 3.45Å
142L73.1Confident72Confident84 Ų84121.8 Ų121.844%0.4457%0.571SS.*Hα-helixtrans-58.1-45.9171.8-87.1162.7000112.2Y138 Q144 L145 V146Y138-L142 HydrophobicContact CD1-CD1 3.83Å; Y138-L142 HydrophobicContact CE1-CD1 3.61Å; Y138-L142 WeakPolarHBondContact O-CB 3.35Å; Y138-L142 PolarHBondContact O-N 3.47Å; L142-Q144 VanDerWaalsContact C-N 3.32Å; L142-Q144 PolarHBondContact O-N 2.68Å; L142-L145 PolarHBondContact O-N 2.92Å; L142-V146 WeakPolarHBondContact O-CG2 3.28Å; L142-V146 PolarHBondContact O-N 3.14Å
143Q81.2Confident72Confident134 Ų134124.2 Ų124.263%0.62659%0.588SS**Hα-helixtrans-66.6-33.7179.6-163.1173.938.400112.5S139 L140 E141 R147S139-Q143 WeakPolarHBondContact O-CB 3.33Å; S139-Q143 PolarHBondContact O-N 3.41Å; S139-Q143 VanDerWaalsContact O-N 3.08Å; L140-Q143 PolarHBondContact O-N 3.22Å; E141-Q143 PolarHBondContact O-N 1.92Å; Q143-R147 WeakPolarHBondContact O-CB 3.24Å; Q143-R147 PolarHBondContact O-N 3.45Å; Q143-R147 VanDerWaalsContact O-N 3.14Å
144Q85.1Confident71.6Confident133 Ų133125.7 Ų125.762%0.62159%0.592SS**Hα-helixtrans-70.6-39.4172.9-71.917515.300112.3L140 E141 L142 R147 R148L140-Q144 WeakPolarHBondContact O-CB 3.47Å; L140-Q144 VanDerWaalsContact O-CG 3.28Å; L140-Q144 WeakPolarHBondContact O-CG 3.41Å; L140-Q144 PolarHBondContact O-N 3.25Å; E141-Q144 PolarHBondContact O-N 3.21Å; L142-Q144 VanDerWaalsContact C-N 3.32Å; L142-Q144 PolarHBondContact O-N 2.68Å; Q144-R147 PolarHBondContact O-N 2.99Å; Q144-R148 WeakPolarHBondContact O-CB 3.19Å; Q144-R148 PolarHBondContact O-N 3.26Å
145L80.9Confident71.2Confident113 Ų113126.7 Ų126.759%0.59260%0.604SS**Hα-helixtrans-61.3-48.9174.4-95.3161.2000112E141 L142 R147 R148 Q149E141-L145 WeakPolarHBondContact O-CB 3.49Å; E141-L145 PolarHBondContact O-N 3.45Å; L142-L145 PolarHBondContact O-N 2.92Å; L145-R147 PolarHBondContact O-N 2.82Å; L145-R148 WeakPolarHBondContact O-CB 3.3Å; L145-R148 PolarHBondContact O-N 2.95Å; L145-Q149 PolarHBondContact O-N 2.79Å
146V85.3Confident70.4Confident79 Ų79124.7 Ų124.748%0.47960%0.604SS.*Hα-helixtrans-60.2-45.4176.8172.80000111.1L142 R148 Q149 Q150L142-V146 WeakPolarHBondContact O-CG2 3.28Å; L142-V146 PolarHBondContact O-N 3.14Å; V146-R148 VanDerWaalsContact C-N 3.33Å; V146-R148 PolarHBondContact O-N 2.87Å; V146-Q149 PolarHBondContact O-N 3.43Å; V146-Q150 PolarHBondContact O-N 2.89Å
147R77.2Confident69.6Low180 Ų180123.2 Ų123.268%0.67961%0.614SS**Hα-helixtrans-60.2-41.1175.2179.2176.2-75.4-167.9-3112Q143 Q144 L145 Q149 Q150 L151Q143-R147 WeakPolarHBondContact O-CB 3.24Å; Q143-R147 PolarHBondContact O-N 3.45Å; Q143-R147 VanDerWaalsContact O-N 3.14Å; Q144-R147 PolarHBondContact O-N 2.99Å; L145-R147 PolarHBondContact O-N 2.82Å; R147-Q149 VanDerWaalsContact C-N 3.34Å; R147-Q150 PolarHBondContact O-N 3.04Å; R147-L151 HydrophobicContact CG-CD1 4.29Å; R147-L151 WeakPolarHBondContact O-CG 3.09Å; R147-L151 PolarHBondContact O-N 3.38Å; R147-L151 VanDerWaalsContact O-N 3.13Å
148R79.9Confident68Low179 Ų179124 Ų12468%0.67563%0.625SS**Hα-helixtrans-64.4-39.2176.9-170.9176.1-174.71691.9111.7Q144 L145 V146 L151 L152Q144-R148 WeakPolarHBondContact O-CB 3.19Å; Q144-R148 PolarHBondContact O-N 3.26Å; L145-R148 WeakPolarHBondContact O-CB 3.3Å; L145-R148 PolarHBondContact O-N 2.95Å; V146-R148 VanDerWaalsContact C-N 3.33Å; V146-R148 PolarHBondContact O-N 2.87Å; R148-L151 PolarHBondContact O-N 3.49Å; R148-L152 HydrophobicContact CG-CD1 4.42Å; R148-L152 WeakPolarHBondContact O-CG 3.45Å; R148-L152 PolarHBondContact O-N 2.97Å; R148-L152 VanDerWaalsContact O-N 3.15Å
149Q76.3Confident66.9Low143 Ų143122.1 Ų122.167%0.66864%0.635SS**Hα-helixtrans-68.5-39.6177.6-158.3164.830.400112L145 V146 R147 L151 L152 S153L145-Q149 PolarHBondContact O-N 2.79Å; V146-Q149 PolarHBondContact O-N 3.43Å; R147-Q149 VanDerWaalsContact C-N 3.34Å; Q149-L151 VanDerWaalsContact C-N 3.29Å; Q149-L151 PolarHBondContact O-N 2.97Å; Q149-L152 PolarHBondContact O-N 3.06Å; Q149-S153 PolarHBondContact O-N 2.97Å; Q149-S153 PolarHBondContact O-OG 2.83Å
150Q74.4Confident65Low124 Ų124126.8 Ų126.858%0.57965%0.653SS**Hα-helixtrans-66.8-22.2172.9-82-177.7-39.300114.8V146 R147 S153 Q154V146-Q150 PolarHBondContact O-N 2.89Å; R147-Q150 PolarHBondContact O-N 3.04Å; Q150-S153 WeakPolarHBondContact CA-OG 3.48Å; Q150-S153 PolarHBondContact O-OG 3.03Å; Q150-Q154 PolarHBondContact O-NE2 2.97Å
151L67.9Low63Low115 Ų115127.6 Ų127.660%0.60266%0.663SS**Hα-helixtrans-81.7-32.6172.3-71.8168.1000111.9R147 R148 Q149 S153R147-L151 HydrophobicContact CG-CD1 4.29Å; R147-L151 WeakPolarHBondContact O-CG 3.09Å; R147-L151 PolarHBondContact O-N 3.38Å; R147-L151 VanDerWaalsContact O-N 3.13Å; R148-L151 PolarHBondContact O-N 3.49Å; Q149-L151 VanDerWaalsContact C-N 3.29Å; Q149-L151 PolarHBondContact O-N 2.97Å; L151-S153 VanDerWaalsContact C-N 3.31Å
152L64Low61Low140 Ų140127 Ų12773%0.73367%0.67SS**Hα-helixtrans-75.3-17.2175.9-69.7168.3000113.4R148 Q149R148-L152 HydrophobicContact CG-CD1 4.42Å; R148-L152 WeakPolarHBondContact O-CG 3.45Å; R148-L152 PolarHBondContact O-N 2.97Å; R148-L152 VanDerWaalsContact O-N 3.15Å; Q149-L152 PolarHBondContact O-N 3.06Å
153S55Low59.5Low91 Ų91129 Ų12964%0.63669%0.688SS**THydrogen-bonded Turntrans-91.211.6179.564.60000114.8Q149 Q150 L151Q149-S153 PolarHBondContact O-N 2.97Å; Q149-S153 PolarHBondContact O-OG 2.83Å; Q150-S153 WeakPolarHBondContact CA-OG 3.48Å; Q150-S153 PolarHBondContact O-OG 3.03Å; L151-S153 VanDerWaalsContact C-N 3.31Å
154Q48.8Very low57.3Low132 Ų132133 Ų13362%0.61770%0.698SS**PPolyproline II helixtrans-100.4133.1178.9-69.7-178.155.100111.8Q150Q150-Q154 PolarHBondContact O-NE2 2.97Å
155P50.5Low55.4Low114 Ų114132.3 Ų132.374%0.7471%0.706SS**PPolyproline II helixtrans-71.4154.2172.631.4-34.7000111.2
156P47Very low53.3Low110 Ų110131.3 Ų131.371%0.71471%0.714SS**PPolyproline II helixtrans-68.5148.4-17929.1-35.5000112.2
157P44.1Very low51.3Low121 Ų121133.8 Ų133.879%0.78673%0.731SS**PPolyproline II helixtrans-69.4137.8177.129-34.6000111.7S159P157-S159 PolarHBondContact O-N 2.9Å
158H36.9Very low49.2Very low186 Ų186128 Ų12886%0.86173%0.727SS**  trans-75.7113.2173.2-77.8-88.3000111.1I160H158-I160 PolarHBondContact O-N 3.03Å
159S37.3Very low47Very low118 Ų118131.5 Ų131.583%0.82574%0.743SS**PPolyproline II helixtrans-69.7119.8172.4-56.60000111.5P157P157-S159 PolarHBondContact O-N 2.9Å
160I38.2Very low44.8Very low161 Ų161127.8 Ų127.883%0.82674%0.743SS**PPolyproline II helixtrans-86.1125.1171.9-59.6172.1000108.7H158H158-I160 PolarHBondContact O-N 3.03Å
161P38.7Very low42.8Very low106 Ų106128.3 Ų128.369%0.68876%0.76SS**PPolyproline II helixtrans-80.5145.4174.632.3-33.7000112
162P39.5Very low41.1Very low105 Ų105127.2 Ų127.268%0.68277%0.768SS**PPolyproline II helixtrans-75.3157171.832.5-35000111.9
163P42.3Very low40.6Very low125 Ų125126 Ų12681%0.81277%0.768SS**PPolyproline II helixtrans-81.7147.5-175.333-35.6000113.6
164Y33.3Very low39.6Very low217 Ų217133.4 Ų133.485%0.85178%0.782SS**  trans-124.9144162.3-85.9-88.2000109.9
165P45.3Very low38.6Very low120 Ų120131.1 Ų131.178%0.77979%0.794SS**  trans-80.5154.4-179.533.2-35.3000112.9
166A37.9Very low37.7Very low91 Ų91129.7 Ų129.775%0.75280%0.8SS**  trans-77.3165.3167.400000111.4
167P43.7Very low37.3Very low131 Ų131133.4 Ų133.485%0.85181%0.812SS**  -132.9175.290.538.5-29.3000113.9
168G32.2Very low36.8Very low58 Ų58132.6 Ų132.660%0.59882%0.816SS**  trans-120.4-158.6179.300000114.1
169Y33Very low36.5Very low253 Ų253131.7 Ų131.799%0.99281%0.812SS**  trans69.2136.9-168.3-53.6-87.4000114.1
170G30.9Very low36.1Very low65 Ų65134.3 Ų134.367%0.6781%0.811SS**  cis173.9179.8-7.200000113.4
171S32.8Very low35.6Very low135 Ų135130 Ų13094%0.94481%0.807SS**  trans77.9146.2167-56.90000120
172A32.6Very low35.1Very low93 Ų93136.3 Ų136.377%0.76982%0.818SS**  trans-112.6-154.8172.600000108.1
173P53.5Low34.6Very low113 Ų113138.1 Ų138.173%0.73482%0.822SS**  cis-141.9-160.54.342.7-20.6000115.7
174R33.3Very low34.5Very low248 Ų248137 Ų13794%0.93682%0.815SS**  trans72.8147.8174.9-64.2-177.8170.6-155.5-2.5116.3
175G28.4Very low34.3Very low83 Ų83135.3 Ų135.386%0.85682%0.815SS**  cis135.5116.8-10.300000114.1
176G30.8Very low34Very low84 Ų84135.5 Ų135.587%0.86682%0.816SS**  trans-175144175.400000112.5
177L39.2Very low34.1Very low188 Ų188140.3 Ų140.398%0.98482%0.823SS**  trans-118.4142-179.3-80.6156.4000110.1
178A33.1Very low33.5Very low105 Ų105145.4 Ų145.487%0.86883%0.825SS**  trans-156.5155.3160.900000109.5
179E29.8Very low33.9Very low167 Ų167151.8 Ų151.878%0.7884%0.839SS**  trans-106.4174.5-161.8-99-91.271.200115.4
180Q30.3Very low34.2Very low172 Ų172149.9 Ų149.980%0.80484%0.836SS**  trans-58158.5-172.1-61.8156.264.500117.4
181G26.6Very low34.8Very low70 Ų70157.4 Ų157.472%0.72284%0.844SS**  trans140.388.213600000118.8
182Y29.1Very low34.8Very low239 Ų239161.3 Ų161.394%0.93785%0.845SS**  176.8167.1126.4-116.6-99.9000111.9
183N28.2Very low35.5Very low143 Ų143162.5 Ų162.577%0.76585%0.847SS**  trans-157.2157.4-177-164.133.5000107.8
184P41.6Very low35Very low101 Ų101164.8 Ų164.866%0.65685%0.852SS**  cis-124.1-174.5-6.842.9-28.2000113.9
185E28.3Very low35.4Very low183 Ų183161 Ų16186%0.85585%0.846SS**  162.7141.7122.7-162.1150.7107.400111
186P39.6Very low36Very low124 Ų124165.6 Ų165.681%0.80585%0.845SS**  trans-111.7104.4-158.238.2-29.1000116.4
187E38.4Very low36.6Very low191 Ų191165.7 Ų165.789%0.89384%0.838SS**  trans-142.639.4175.7-144.7178.7-147.400117.6
188R32.8Very low36.7Very low238 Ų238164.1 Ų164.190%0.89883%0.829SS**SBendtrans-130.412.5174.2-75-160179.2-147.92118.7
189H39.5Very low37Very low193 Ų193166.2 Ų166.289%0.89483%0.825SS**  trans-117.548.1176.8-64.3113.9000114.1
190K38.6Very low37.2Very low212 Ų212169.7 Ų169.792%0.92283%0.833SS**SBendtrans-121.727.6171.2-97.5-177.6179.4172.70113.8
191R44.1Very low37.5Very low223 Ų223171 Ų17184%0.84284%0.836SS**SBendtrans-132.2155.6163.8-70.5-174.7170.8131.70.9108.2
192F33Very low37.9Very low217 Ų217178.5 Ų178.595%0.95284%0.842SS**SBendtrans71.264.8-166.7-52-71.6000115.5
193S47.6Very low38Very low118 Ų118175.3 Ų175.383%0.82584%0.841SS**  trans-153.341.1160.7-164.40000112.5
194L44Very low38.2Very low161 Ų161174.2 Ų174.284%0.84384%0.844SS**SBendtrans-145.335.1177.7-83-176.1000113.4
195Q41.5Very low37.8Very low170 Ų170176.2 Ų176.279%0.79485%0.854SS**SBendtrans-118.7-31.5177.5-158.56928.400113.8
196E40.9Very low37.8Very low178 Ų178171.6 Ų171.683%0.83286%0.856SS**SBendtrans-92-13.6-172.2-63.8179.9116.600114.2L198E196-L198 PolarHBondContact O-N 2.95Å; E196-L198 VanDerWaalsContact O-N 3.11Å
197A42.2Very low37.3Very low87 Ų87168.6 Ų168.672%0.71985%0.847SS**THydrogen-bonded Turntrans-72.2-1.9-175.500000115.4
198L40.9Very low36.9Very low154 Ų154168.4 Ų168.481%0.80685%0.847SS**THydrogen-bonded Turntrans-112.4-1.6-174.5-68.8177.3000115.1E196E196-L198 PolarHBondContact O-N 2.95Å; E196-L198 VanDerWaalsContact O-N 3.11Å
199L39.6Very low36.7Very low149 Ų149162.9 Ų162.978%0.7884%0.839SS**SBendtrans-90-19.3-178.5-84.2163.9000114.9
200Y35.1Very low36.4Very low240 Ų240164.9 Ų164.994%0.94184%0.839SS**SBendtrans-91.912.1-178.4-105.9-81.5000115.6
201K36.9Very low35.9Very low201 Ų201160.6 Ų160.687%0.87483%0.826SS**SBendtrans-126.136.6-178.3-151.3178.4-178.4-179.80114.1
202R34.2Very low35.2Very low227 Ų227156.8 Ų156.886%0.85782%0.823SS**SBendtrans-13835.6175.3-157.2179.3-77.8-170-4.7114.3
203L30.9Very low35.8Very low172 Ų172151.1 Ų151.190%0.90181%0.807SS**SBendtrans-133.152.1170-78.1174.7000111.3
204S32.1Very low34.9Very low119 Ų119156.7 Ų156.783%0.83281%0.81SS**SBendtrans-15850.9169.7-78.30000112.8
205T33Very low34.7Very low143 Ų143154.7 Ų154.788%0.87781%0.807SS**  trans-161.5118.3153.418.30000107.4
206G28.8Very low34Very low86 Ų86151 Ų15189%0.88781%0.806SS**  trans-81.5139.2167.300000109.7
207G29Very low33.4Very low61 Ų61147.6 Ų147.663%0.62980%0.802SS**  trans174112.6178.500000109.2
208E29.6Very low32.7Very low187 Ų187151.2 Ų151.287%0.87481%0.808SS**  trans-61.8147.7-168.17.9-75.58800114.1
209V28.6Very low32.1Very low123 Ų123149.2 Ų149.275%0.74581%0.807SS**  trans-105.7136.9175.4169.30000109.1
210W33.4Very low31.5Very low235 Ų235151 Ų15189%0.8981%0.811SS**  trans-142.8109.7149.6-93.494.3000111.7
211D28.6Very low32.4Very low122 Ų122145.1 Ų145.165%0.65280%0.802SS**  trans62.5166.3146.3-86.4-87.9000127.4
212N28.6Very low32.6Very low143 Ų143141.5 Ų141.577%0.76580%0.799SS**  trans-123.9-174.4-159.2-99.3-48.4000109.8
213P46.6Very low32.3Very low97 Ų97139.2 Ų139.263%0.6380%0.798SS**  cis-139.1162.5-41.237.2-21.2000114.9
214R28.8Very low32.2Very low235 Ų235142.1 Ų142.189%0.88780%0.797SS**  trans65.3171.3155.3-110.3-166.3-80.3-130.6-4.3117.7
215P39.3Very low32.6Very low120 Ų120141.4 Ų141.478%0.77979%0.789SS**  cis-117.3-178.1-29.220.32.5000112.6
216A27.6Very low32.5Very low93 Ų93139.1 Ų139.177%0.76978%0.779SS**  trans-84149.4-178.200000114.6
217S27.6Very low32.6Very low106 Ų106141.5 Ų141.574%0.74177%0.771SS**  168.2126119.2-73.90000114.9
218L27.6Very low32.8Very low162 Ų162145.4 Ų145.485%0.84878%0.776SS**  trans51.9146.3140.2-64168000123.7
219S27.9Very low34Very low113 Ų113142.4 Ų142.479%0.7977%0.773SS**  trans73.6126.2157.525.40000121
220H28.4Very low34Very low187 Ų187140.6 Ų140.687%0.86678%0.78SS**  trans-88.8-169.3164.5-37.5-94.6000110.8
221P53.9Low33.9Very low115 Ų115133.5 Ų133.575%0.74778%0.779SS**  cis-120.3175.4-3836.9-22.3000111.7
222P39.5Very low33.9Very low126 Ų126131.4 Ų131.482%0.81879%0.787SS**  -160.8-161.6100.142.3-20.3000116.4
223H27.7Very low34.2Very low179 Ų179130.2 Ų130.283%0.82979%0.79SS**  trans-62.8-179.9169.8-64.5-95.3000113.7
224R29.1Very low33.5Very low233 Ų233132.6 Ų132.688%0.87980%0.802SS**  cis-169.5-146.743-151.2-178.6-180158.4-0.6113.4
225P41.8Very low33.6Very low103 Ų103124.5 Ų124.567%0.66979%0.791SS**  -105174.8-107.232-11.9000120
226S31Very low33.3Very low95 Ų95126.3 Ų126.366%0.66479%0.794SS**  trans18.3163137.7-40.60000123.3
227D29.9Very low33.3Very low136 Ų136130.2 Ų130.273%0.72779%0.794SS**  cis-145.4168.130.7-86.1-67.4000111.9
228I33.2Very low33.5Very low143 Ų143134.8 Ų134.873%0.73380%0.796SS**  cis80.5137.738.4-64.7175.9000113
229P54.3Low34.1Very low125 Ų125132.3 Ų132.381%0.81279%0.79SS**  cis-136.5174.111.241.1-23000119.9
230G29.7Very low34.8Very low85 Ų85133.1 Ų133.188%0.87679%0.793SS**  trans109.6134.6137.800000119.7
231G30Very low34.8Very low86 Ų86127.9 Ų127.989%0.88779%0.789SS**  cis174.8150.6-9.900000114.9
232G29.4Very low34.9Very low78 Ų78127.6 Ų127.680%0.80479%0.787SS**  trans109.6107.2176.500000113.9
233S35Very low34.5Very low118 Ų118127.7 Ų127.783%0.82579%0.785SS**  74.8114.559.1-167.70000112.1
234V32.2Very low34.6Very low146 Ų146126.8 Ų126.889%0.88579%0.786SS**  cis-140.8174.714.5-103.30000110.4
235G31.5Very low35Very low65 Ų65120.9 Ų120.967%0.6778%0.78SS**  cis160.3-163.40.500000112.9
236L31.2Very low35.1Very low159 Ų159120.8 Ų120.883%0.83278%0.78SS**  trans66.9101.1171.1-58.4177.4000121.2
237F29Very low35Very low175 Ų175122.3 Ų122.377%0.76879%0.789SS**  trans80.6133.1132.7-85-61.3000126.2
238Y31Very low34.9Very low201 Ų201121.2 Ų121.279%0.78879%0.792SS**  trans73.6153.9160.4-83.9-83.2000118.2
239P41.4Very low34.9Very low110 Ų110119.6 Ų119.671%0.71479%0.794SS**  -118.2176.3-118.51016.2000116.8
240P41.1Very low33.5Very low131 Ų131123.3 Ų123.385%0.85180%0.797SS**  trans-108.4176-165.542.1-36.3000115.5
241G28.5Very low33.5Very low77 Ų77124 Ų12479%0.79479%0.789SS**  trans158.8102.4156.800000116.4
242P56.3Low33.6Very low109 Ų109126.5 Ų126.571%0.70878%0.781SS**  trans-114.2173.6175.540.1-31.7000114.5
243T30.9Very low33.6Very low127 Ų127130.4 Ų130.478%0.77978%0.778SS**  trans72.9135.9169.175.50000118.3
244L29.3Very low33.3Very low161 Ų161132.2 Ų132.284%0.84377%0.774SS**  -172.3148.6113.3-100.2174.9000112.4
245S38.4Very low33.2Very low108 Ų108129.5 Ų129.576%0.75576%0.761SS**  trans-146.7135.5156.7178.20000105.9
246P44.5Very low33.1Very low101 Ų101132.8 Ų132.866%0.65677%0.768SS**  -154.5152.212537-19.8000116.5
247C28Very low33.3Very low128 Ų128133.4 Ų133.487%0.86577%0.771SS**  trans58.1162.2137.5-62.10000120.4
248S27.9Very low33.4Very low112 Ų112130.9 Ų130.978%0.78377%0.77SS**  cis-143.6-17819.761.90000114.3
249S32.6Very low33.5Very low110 Ų110127 Ų12777%0.76977%0.772SS**  trans-137.2151.8-167.3-38.30000113.1
250F25.6Very low33.7Very low203 Ų203126.8 Ų126.889%0.8977%0.771SS**  trans-143131.9155.1-85.7-89.5000107.2
251S30.6Very low33.1Very low99 Ų99131.7 Ų131.769%0.69277%0.772SS**  62126.458.6-95.50000112.8
252L31.1Very low33.6Very low139 Ų139133.3 Ų133.373%0.72877%0.771SS**  cis-146.5139.112.6-88.7176.4000109.3
253Q30.1Very low32.6Very low160 Ų160132.9 Ų132.975%0.74877%0.771SS**  96.1161.798.5-168.6174.2-12.800114.6
254E27.3Very low32.8Very low156 Ų156135.5 Ų135.573%0.72977%0.772SS**  trans80.5106.1169.6-68.4-125.966.800121.6
255S30.8Very low32.9Very low89 Ų89132.7 Ų132.762%0.62277%0.772SS**  72.6143.5109.8-51.50000123.9
256V30.3Very low32.8Very low134 Ų134132 Ų13281%0.81277%0.767SS**  trans87.8129.9158.4-166.20000119.6V258V256-V258 HydrophobicContact CG1-CG2 4.33Å
257L35.4Very low32.5Very low172 Ų172132.2 Ų132.290%0.90177%0.771SS**  trans-79.9130.5170.9-62.7160.7000111.1
258V29.6Very low32.8Very low121 Ų121132.7 Ų132.773%0.73377%0.77SS**  trans-137.7120170.2177.90000112.7V256V256-V258 HydrophobicContact CG1-CG2 4.33Å
259S34.9Very low33.1Very low121 Ų121131.4 Ų131.485%0.84677%0.766SS**  trans-116.8138.1145.3-61.80000107.4
260P44.3Very low33.3Very low105 Ų105132.2 Ų132.268%0.68277%0.772SS**  -133.5154.5119.712.89.3000110.7
261R29.4Very low33.5Very low234 Ų234126.6 Ų126.688%0.88377%0.771SS**  cis84.2134.737.5-160.9178.3-174178.62.5113.5
262S38.2Very low33.4Very low110 Ų110126.1 Ų126.177%0.76978%0.782SS**  trans-58.9150.4-173.254.10000116.7
263S36Very low33.3Very low101 Ų101123.6 Ų123.671%0.70679%0.789SS**  trans-151.6150.7176-74.30000108.3
264F34.1Very low33.2Very low181 Ų181120 Ų12079%0.79480%0.795SS**  cis-161.1148.4-9.1-133.4-73.8000108.6
265A31.6Very low33.3Very low102 Ų102116.2 Ų116.284%0.84380%0.798SS**  trans-158.798.6162.400000112.5
266S36Very low33.6Very low95 Ų95117.7 Ų117.766%0.66481%0.808SS**  trans-69.9169.5169.6-52.20000111.6
267S38.6Very low34.5Very low105 Ų105116.5 Ų116.573%0.73480%0.803SS**  cis-165.2173.4-11.7-99.50000105.8
268T34.6Very low34.4Very low137 Ų137116.6 Ų116.684%0.8480%0.803SS**  -169.4161.95943.10000114.4
269A33.7Very low34.4Very low85 Ų85113.9 Ų113.970%0.70280%0.8SS**  trans-21.5138.5168.700000123.4
270S36.5Very low34.4Very low128 Ų128114.2 Ų114.290%0.89580%0.802SS**  72.4138.8126-61.60000123.3
271G29.8Very low34Very low85 Ų85120.5 Ų120.588%0.87681%0.812SS**  trans128.2120.5160.200000113.5
272G29.2Very low34Very low88 Ų88115 Ų11591%0.90781%0.808SS**  trans-113.7154.3175.400000112.3
273G28.3Very low33.9Very low86 Ų86114.1 Ų114.189%0.88780%0.802SS**  trans175.8145.5177.400000110.3
274G28.9Very low34.2Very low84 Ų84114.1 Ų114.187%0.86680%0.802SS**  trans-105170.1179.600000113
275G28.6Very low34.4Very low77 Ų77111.5 Ų111.579%0.79480%0.796SS**  trans105.1110.7166.100000115.2
276S37.3Very low34.7Very low120 Ų120116.9 Ų116.984%0.83979%0.794SS**  trans-86.5152.2145.2-49.60000108
277P50.2Low34.7Very low109 Ų109117.7 Ų117.771%0.70880%0.796SS**  -148.3164.695.439.6-25.2000114.9
278I32.1Very low34.6Very low175 Ų175117.5 Ų117.590%0.89779%0.794SS**  trans58.2129.1153.4-69.7164.3000117.4
279G30.7Very low34.5Very low64 Ų64114.7 Ų114.766%0.6679%0.792SS**  cis148.5149.4-5.200000112.1
280S34.8Very low34.5Very low127 Ų127117.7 Ų117.789%0.88880%0.795SS**  trans-172.1157.8153.8-86.90000111.3
281R35.2Very low34.6Very low238 Ų238117.2 Ų117.290%0.89879%0.792SS**  trans-111.3179178.5-56.5175.7-179.4-167.3-0.2108.1
282C30.4Very low34.8Very low119 Ų119121.4 Ų121.480%0.80479%0.793SS**  cis-145.7-168.613.6-460000108.2
283S36.1Very low34.9Very low91 Ų91120.8 Ų120.864%0.63679%0.786SS**  cis-163.7143.7-0.91140000111.1
284S41.4Very low35Very low101 Ų101126.9 Ų126.971%0.70678%0.784SS**  trans63.5149.7140.5-41.80000120.3
285N38.1Very low35.1Very low125 Ų125129.7 Ų129.767%0.66878%0.78SS**  cis-157.8142.7-0.4-134.4-16.1000113.6
286R38Very low35.2Very low215 Ų215129.6 Ų129.681%0.81177%0.767SS**  trans54149.8139.9-85.9176.8171.6179.9-3.8121.6
287T36Very low34.9Very low113 Ų113134.7 Ų134.769%0.69377%0.768SS**  cis-144.1133.39-260000113.4
288S36.8Very low33.8Very low101 Ų101139.6 Ų139.671%0.70677%0.773SS**  trans34111.7149.862.20000121.8
289G32.8Very low33.7Very low77 Ų77136.5 Ų136.579%0.79477%0.767SS**  -111.4158.1122.900000109
290I32.3Very low33.4Very low148 Ų148138.5 Ų138.576%0.75977%0.767SS**  trans-139.5129.7171.8-60-179.5000109.9L292I290-L292 HydrophobicContact CG2-CG 4.36Å
291S38.8Very low33.2Very low119 Ų119138.2 Ų138.283%0.83276%0.764SS**  trans-116.2137.6161.1-55.90000108.3
292L33.8Very low32.7Very low173 Ų173133.3 Ų133.391%0.90676%0.761SS**  trans-137.8153.4166.4-84173.3000109.3I290I290-L292 HydrophobicContact CG2-CG 4.36Å
293G32.3Very low32.5Very low74 Ų74135.6 Ų135.676%0.76376%0.759SS**  trans-106.5-161.2-164.700000116.1
294Y30.3Very low32.3Very low215 Ų215139.6 Ų139.684%0.84377%0.768SS**  trans-39.6151.5171.6-97.7-118.6000113.6
295D31.3Very low31.6Very low143 Ų143143.8 Ų143.877%0.76578%0.777SS**  -147.2-155.154.4-147.3-45.7000114.8
296S30.9Very low31.6Very low75 Ų75142.5 Ų142.552%0.52478%0.775SS.*  trans-102.7171-147.4-570000117
297R30.2Very low31Very low227 Ų227141 Ų14186%0.85778%0.78SS**  trans77.3119.9167-41.3177-146.5-151.95113.4
298Y27.4Very low30.8Very low211 Ų211144.8 Ų144.883%0.82779%0.789SS**  -157.4150.167-123.5-89.9000113.8V300Y298-V300 HydrophobicContact CD1-CG2 3.73Å; Y298-V300 HydrophobicContact CE1-CG2 4.5Å; Y298-V300 HydrophobicContact CG-CG2 4.43Å
299S29.3Very low30.4Very low110 Ų110145.2 Ų145.277%0.76980%0.799SS**  trans-98.6122.7162.753.90000109.4
300V25.4Very low30.1Very low107 Ų107145.6 Ų145.665%0.64880%0.803SS**  trans-132.7109.9174.3-175.50000110.5Y298 V302Y298-V300 HydrophobicContact CD1-CG2 3.73Å; Y298-V300 HydrophobicContact CE1-CG2 4.5Å; Y298-V300 HydrophobicContact CG-CG2 4.43Å; V300-V302 HydrophobicContact CG1-CG2 3.89Å
301S29.3Very low29.9Very low120 Ų120142.2 Ų142.284%0.83980%0.804SS**  trans-75.3134.3156.239.30000109.1
302V26Very low29.6Very low136 Ų136142.5 Ų142.582%0.82481%0.807SS**  trans-113100.3170.6-177.60000109V300V300-V302 HydrophobicContact CG1-CG2 3.89Å
303Q26.8Very low29.5Very low166 Ų166138.7 Ų138.778%0.77680%0.8SS**  trans-82.2160.9161.9-173.4169.1-1800109.3
304Q30Very low29.6Very low175 Ų175140.4 Ų140.482%0.81881%0.807SS**  trans-44.5141.2-176.7-60.5150.6-40.800114.8
305Q27.3Very low29.6Very low189 Ų189132.9 Ų132.988%0.88379%0.794SS**  trans-143.3159.1151.3-89.1-134.4-24.200111.7
306P38.4Very low29.8Very low98 Ų98137.9 Ų137.964%0.63680%0.804SS**  trans-102.1169.9-156.539.6-36.4000114.4
307M26.4Very low29.8Very low184 Ų184137.7 Ų137.791%0.90681%0.814SS**  trans-133.2140.4163.1-64.5-65.4155.300109.7
308Q30Very low30.5Very low193 Ų193133 Ų13390%0.90281%0.813SS**  trans-123.9160.8176.5-91.7-166.5-12.400111.7
309A30.1Very low31.7Very low110 Ų110129 Ų12991%0.90981%0.813SS**  trans99.1123.8153.700000118.8
310G25.9Very low31.6Very low85 Ų85127.7 Ų127.788%0.87682%0.816SS**  trans137.792.7158.200000116.7
311G27.1Very low31.9Very low76 Ų76134.4 Ų134.478%0.78483%0.83SS**  trans121.198152.900000119.6
312S33.9Very low31.9Very low126 Ų126133.6 Ų133.688%0.88183%0.831SS**  trans-8.3152.4141.1-560000120.3
313A31.3Very low31.9Very low92 Ų92130.5 Ų130.576%0.7683%0.826SS**  cis-169.6167.7-4.100000113.2
314A33.9Very low32.1Very low110 Ų110129.5 Ų129.591%0.90983%0.831SS**  trans65.9148167.400000118.7
315G30.9Very low32.1Very low57 Ų57127.2 Ų127.259%0.58883%0.83SS**  cis168.8137.7-11.300000113.8
316Y35.4Very low32.1Very low249 Ų249123.1 Ų123.198%0.97683%0.828SS**  trans64.3153.2-179.8-45.6-84000115.6
317G30.3Very low31.6Very low71 Ų71123.3 Ų123.373%0.73284%0.838SS**  cis-169.4158.9-900000110.9
318P46.1Very low31.9Very low129 Ų129123.9 Ų123.984%0.83884%0.838SS**  trans-112.5-163-163.645.8-37.6000113.4
319P51.7Low32Very low127 Ų127118.8 Ų118.883%0.82583%0.829SS**  cis-133.6-176-842.9-26.1000115.4
320G28.1Very low31.7Very low81 Ų81125.7 Ų125.784%0.83583%0.832SS**  trans178.2121.616500000118
321R30.8Very low31.9Very low248 Ų248127.4 Ų127.494%0.93683%0.826SS**  trans-67.6139.3-175.9-88.8175.9164.4177.2-5117.1
322A29.1Very low31.9Very low103 Ų103132.5 Ų132.585%0.85183%0.829SS**  37.7140.1126.600000123.6
323G27.3Very low31.6Very low71 Ų71136.8 Ų136.873%0.73283%0.827SS**  trans158.1110.4144.400000120
324V29.2Very low31.5Very low145 Ų145139.7 Ų139.788%0.87983%0.829SS**  trans68.4-172.5145.2-166.70000116.4
325T30.1Very low31.2Very low128 Ų128142.8 Ų142.879%0.78583%0.825SS**  trans-131.7171.6-135.952.20000116.4
326A27.2Very low31.1Very low102 Ų102147 Ų14784%0.84384%0.84SS**  trans101.8134.1149.400000117.9
327A29.3Very low30.6Very low102 Ų102138.9 Ų138.984%0.84383%0.832SS**  trans-159.5111.6167.300000109.6
328E32.7Very low30.3Very low196 Ų196139.3 Ų139.392%0.91684%0.836SS**  trans-123168.7162.6-81.7-164119.300109
329A30.6Very low29.5Very low86 Ų86144.2 Ų144.271%0.71184%0.838SS**  trans62.3115.1165.800000118.6
330W25.4Very low29Very low255 Ų255144.4 Ų144.497%0.96684%0.839SS**  trans-144.3134.7141.3-8899.6000109.4
331T30.1Very low28.9Very low122 Ų122143.5 Ų143.575%0.74883%0.829SS**  trans-146.1150.5178.627.50000110.6
332Q27.3Very low29.6Very low183 Ų183138 Ų13886%0.85583%0.826SS**  trans62.7127.9167.5-63.6172.2-10.900118
333Y26.7Very low29.6Very low215 Ų215143.8 Ų143.884%0.84383%0.827SS**  trans-158.4112.3130.3-125.4-85.7000112.2
334L29.3Very low29.7Very low153 Ų153145.9 Ų145.980%0.80182%0.822SS**  trans55.5144.7157.7-67177.7000124.2
335E28.1Very low29.6Very low175 Ų175143.7 Ų143.782%0.81881%0.813SS**  trans-88.6164.7165.3-54.1156.19900111.5
336T28.3Very low29.6Very low147 Ų147147.1 Ų147.190%0.90281%0.811SS**  -177.6143127.7-68.90000108.5
337G24.8Very low29.9Very low78 Ų78150.3 Ų150.380%0.80481%0.809SS**  trans-105.9170.5-171.100000116.7
338G23.9Very low30Very low80 Ų80150.2 Ų150.283%0.82580%0.802SS**  trans-174141.4172.900000115.6
339R29.6Very low29.9Very low231 Ų231151.3 Ų151.387%0.87280%0.799SS**  trans-158.2157.6170.4-102.4-173.8-176.5-96.72.7106.7
340P41.3Very low30.3Very low132 Ų132152 Ų15286%0.85780%0.796SS**  cis-145-16945.741.2-20.4000115.7
341G26.7Very low30.8Very low61 Ų61145.6 Ų145.663%0.62979%0.788SS**  trans162.1135.1171.400000114
342P45.1Very low31Very low134 Ų134144.8 Ų144.887%0.8779%0.793SS**  trans-128.3154.6-170.641.4-28.6000117.6
343Y28.8Very low31.2Very low224 Ų224143 Ų14388%0.87879%0.794SS**  trans-160.6171.2134.4-166.8-113.1000110.5
344D28.2Very low31.2Very low115 Ų115136.2 Ų136.262%0.61579%0.79SS**  trans-126.3150.7-162.1-171.8-7.2000112.2
345S29Very low31.3Very low99 Ų99134.6 Ų134.669%0.69279%0.792SS**  trans-175.291.2147.6-83.40000114.8
346R29.3Very low31.7Very low199 Ų199132.5 Ų132.575%0.75179%0.793SS**  trans43.8107.3131.8-51175.7-174-152.1-1120.2
347H32.6Very low31.7Very low170 Ų170130.1 Ų130.179%0.78779%0.789SS**  169.8127.198.2-89.1-67.1000114
348S32.1Very low32Very low100 Ų100130.9 Ų130.970%0.69979%0.787SS**  trans2.8143.6153.5-49.10000120.9
349Y30.6Very low32.3Very low218 Ų218132.2 Ų132.286%0.85579%0.791SS**  cis-164.1-172.2-9-125.3-47.5000108.8
350P38.9Very low32.5Very low100 Ų100126.5 Ų126.565%0.64979%0.785SS**  -107.1162-128.541.7-30.1000117
351P35.9Very low31.9Very low122 Ų122131.4 Ų131.479%0.79279%0.788SS**PPolyproline II helixtrans-75.4155.8158.333.9-34.1000111.8
352A33.8Very low32.1Very low105 Ų105137.8 Ų137.887%0.86880%0.801SS**PPolyproline II helixtrans-76.5151.4-176.900000113.7
353V31.5Very low31.2Very low144 Ų144135.5 Ų135.587%0.87380%0.802SS**PPolyproline II helixtrans-80.9137.9-178-71.30000113.1
354G27.6Very low31.1Very low74 Ų74128.3 Ų128.376%0.76380%0.796SS**PPolyproline II helixtrans-101.8136.4159.100000110
355S30.2Very low32.1Very low119 Ų119128.8 Ų128.883%0.83281%0.806SS**PPolyproline II helixtrans-73.3148.4177.7-64.20000112
356P36.3Very low32Very low130 Ų130132.3 Ų132.384%0.84481%0.811SS**PPolyproline II helixtrans-79.8165.2-174.433.7-37.3000113.3
357A28.4Very low31.9Very low98 Ų98132 Ų13281%0.8181%0.81SS**  trans-128.4160.6168.900000110.7
358A32Very low31.8Very low93 Ų93136 Ų13677%0.76982%0.819SS**  trans63.2105.5171.800000117.9
359A30.2Very low31.5Very low109 Ų109139.2 Ų139.290%0.90182%0.822SS**  trans-113126.7134.100000106.9
360C32.7Very low31.7Very low110 Ų110134.7 Ų134.774%0.74381%0.813SS**  trans-101.4142.2-177.5-58.80000110.4
361Y28.8Very low31.1Very low236 Ų236139.3 Ų139.393%0.92582%0.823SS**  trans-145.1144.9149.9-116.3-82.4000110.4
362Q32Very low30.7Very low194 Ų194141.9 Ų141.991%0.90782%0.824SS**  trans-95.4149.7177-67.3174.5-39.200110.2
363G26.7Very low30.3Very low86 Ų86141.5 Ų141.589%0.88782%0.821SS**  trans165.6109.7172.600000113.3
364G26.1Very low30.1Very low73 Ų73139.2 Ų139.275%0.75382%0.817SS**  trans-156.7-165163.600000107.6
365P49.6Very low30.1Very low126 Ų126148 Ų14882%0.81883%0.827SS**  cis-125.4147.2-6.937.9-24.3000112.4
366E26.8Very low29.9Very low173 Ų173146.1 Ų146.181%0.80883%0.827SS**  trans-154.7152171.6-127.9-172.9-173.200115.2
367W27.1Very low29.8Very low191 Ų191150.2 Ų150.272%0.72383%0.831SS**  trans-4.1144.1177.658.7-48.4000123.3E369W367-E369 HydrophobicContact CE3-CB 4.03Å; W367-E369 HydrophobicContact CZ3-CB 4.21Å
368W29.6Very low29.7Very low256 Ų256154.9 Ų154.997%0.9784%0.836SS**  trans-93.3135.6154.3-76.949.1000109.4
369E26.8Very low30.2Very low166 Ų166155.1 Ų155.178%0.77684%0.838SS**  trans-149155.9154.1-133.1-175.4175.800111.7W367W367-E369 HydrophobicContact CE3-CB 4.03Å; W367-E369 HydrophobicContact CZ3-CB 4.21Å
370D33.5Very low30.2Very low124 Ų124154.8 Ų154.866%0.66384%0.835SS**  trans-93.5133-170.6-173-15.4000112
371K26.8Very low30.2Very low197 Ų197160.7 Ų160.786%0.85784%0.842SS**  trans-158.6118.8146-111.3142.8-166.8157.60114.8
372Q28.2Very low30.5Very low175 Ų175160 Ų16082%0.81884%0.839SS**  trans-71.1139.3158.7-53.3170.510.200110.7
373A25.8Very low31.1Very low98 Ų98156 Ų15681%0.8183%0.832SS**  trans-178.5118.1133.200000114.9
374A27.2Very low31.6Very low95 Ų95159.6 Ų159.679%0.78583%0.831SS**  trans25.6114.2142.700000121.7
375R26.5Very low32.3Very low259 Ų259162.5 Ų162.598%0.97783%0.829SS**  -176.7154.9101.4-100.9-177.2179.6-144.22112.2
376G26.4Very low32Very low79 Ų79163.4 Ų163.481%0.81484%0.835SS**  trans136.6106.4169.700000112.7
377K34.3Very low33.1Very low217 Ų217157.7 Ų157.794%0.94382%0.822SS**  trans-92.7128.2165.6-72.6-178.6178.1-179.40108.2
378E27.3Very low34.2Very low196 Ų196152.2 Ų152.292%0.91681%0.81SS**  trans-144.4138.3151.1-160.3159.9-136.500110.2
379A41.1Very low35.2Very low97 Ų97149.7 Ų149.780%0.80280%0.801SS**  trans-103.579.4-173.400000110.4
380A31.3Very low36.7Very low102 Ų102150 Ų15084%0.84380%0.796SS**  trans-71.6150.8170.200000111.1
381R33.3Very low37.4Very low234 Ų234150.7 Ų150.788%0.88380%0.795SS**  trans-92152.6-166.7-67-179.7178.9157.20.4113.2S383R381-S383 PolarHBondContact O-N 3.5Å
382Y34.7Very low38.9Very low223 Ų223146.8 Ų146.888%0.87578%0.78SS**SBendtrans-60.296.1165.6178.6-89.4000110.1
383S43.3Very low40.8Very low108 Ų108144.4 Ų144.476%0.75577%0.769SS**  trans-170.337.5172.3-118.10000115.6R381R381-S383 PolarHBondContact O-N 3.5Å
384D38.6Very low42.6Very low163 Ų163143.3 Ų143.387%0.87275%0.749SS**  trans-131.196.1173.4-89.8-57000112.3
385L39.4Very low44.6Very low133 Ų133142.4 Ų142.470%0.69673%0.733SS**  trans-136.7128.4166.4-73.7175.9000108.9G387L385-G387 PolarHBondContact O-N 2.92Å
386P43.5Very low46.6Very low145 Ų145139.6 Ų139.694%0.94272%0.723SS**THydrogen-bonded Turntrans-72.993.4-177.229-34.2000111.2
387G50.2Low48.7Very low53 Ų53139.7 Ų139.755%0.54670%0.704SS.*THydrogen-bonded Turntrans176.6-33.6173.800000115.3L385 R389L385-G387 PolarHBondContact O-N 2.92Å; G387-R389 PolarHBondContact O-N 3.25Å
388T50.1Low50.2Low77 Ų77135 Ų13547%0.47269%0.689SS.*Hα-helixtrans-64.7-39.2-172.756.20000113.8Y390 Q391 E392T388-Y390 VanDerWaalsContact C-N 3.3Å; T388-Y390 PolarHBondContact O-N 3.38Å; T388-Q391 WeakPolarHBondContact O-CA 3.25Å; T388-Q391 WeakPolarHBondContact O-CB 3.23Å; T388-Q391 PolarHBondContact O-N 3Å; T388-E392 PolarHBondContact O-N 3.43Å
389R51.8Low51.8Low203 Ų203131.4 Ų131.477%0.76668%0.676SS**Hα-helixtrans-55.3-39.1-170.5-147.1-177.4-145.3-112.79.1114.2G387 E393G387-R389 PolarHBondContact O-N 3.25Å; R389-E393 PolarHBondContact O-N 3.49Å; R389-E393 VanDerWaalsContact O-N 3.15Å
390Y58Low53.1Low172 Ų172135.2 Ų135.268%0.67567%0.669SS**Hα-helixtrans-70.8-37.5177.5179.3-109.7000112.1T388 E393 L394T388-Y390 VanDerWaalsContact C-N 3.3Å; T388-Y390 PolarHBondContact O-N 3.38Å; Y390-E393 PolarHBondContact O-N 3.23Å; Y390-L394 HydrophobicContact CD1-CD1 4.02Å; Y390-L394 HydrophobicContact CE1-CD1 3.49Å; Y390-L394 VanDerWaalsContact CE1-CD1 3.49Å; Y390-L394 HydrophobicContact CE2-CD1 4.45Å; Y390-L394 PolarHBondContact O-N 3.19Å
391Q48.1Very low54.4Low138 Ų138133.8 Ų133.865%0.64565%0.647SS**Hα-helixtrans-72.6-33.5179.9-155.5163.9-4.200111.4T388 T395T388-Q391 WeakPolarHBondContact O-CA 3.25Å; T388-Q391 WeakPolarHBondContact O-CB 3.23Å; T388-Q391 PolarHBondContact O-N 3Å; Q391-T395 WeakPolarHBondContact O-CB 3.34Å; Q391-T395 PolarHBondContact O-N 2.86Å; Q391-T395 PolarHBondContact O-OG1 2.94Å
392E58.1Low55.2Low115 Ų115126 Ų12654%0.53763%0.633SS.*Hα-helixtrans-68.8-40.4172.1-71.6172.4-171.400112.6T388 T395 R396T388-E392 PolarHBondContact O-N 3.43Å; E392-T395 PolarHBondContact O-N 2.93Å; E392-R396 PolarHBondContact O-N 3.32Å
393E67.9Low55.9Low126 Ų126119.3 Ų119.359%0.58962%0.623SS**Hα-helixtrans-66.2-42.9173.5-76.3-156.8139.600112.4R389 Y390 T395 R396 L397R389-E393 PolarHBondContact O-N 3.49Å; R389-E393 VanDerWaalsContact O-N 3.15Å; Y390-E393 PolarHBondContact O-N 3.23Å; E393-T395 VanDerWaalsContact C-N 3.33Å; E393-T395 PolarHBondContact O-N 3.06Å; E393-R396 PolarHBondContact O-N 3.29Å; E393-L397 PolarHBondContact O-N 3.3Å
394L62.9Low56.1Low74 Ų74123.3 Ų123.339%0.38762%0.622SS.*Hα-helixtrans-57.9-44.6172.1-93.7164.5000112Y390 R396 L397 L398Y390-L394 HydrophobicContact CD1-CD1 4.02Å; Y390-L394 HydrophobicContact CE1-CD1 3.49Å; Y390-L394 VanDerWaalsContact CE1-CD1 3.49Å; Y390-L394 HydrophobicContact CE2-CD1 4.45Å; Y390-L394 PolarHBondContact O-N 3.19Å; L394-R396 VanDerWaalsContact C-N 3.34Å; L394-R396 PolarHBondContact O-N 2.88Å; L394-L397 PolarHBondContact O-N 2.93Å; L394-L398 WeakPolarHBondContact O-CG 3.44Å; L394-L398 PolarHBondContact O-N 3.1Å
395T69.8Low56.6Low76 Ų76124.4 Ų124.447%0.46662%0.622SS.*Hα-helixtrans-62.7-40.1176.4-55.30000111.5Q391 E392 E393 L399Q391-T395 WeakPolarHBondContact O-CB 3.34Å; Q391-T395 PolarHBondContact O-N 2.86Å; Q391-T395 PolarHBondContact O-OG1 2.94Å; E392-T395 PolarHBondContact O-N 2.93Å; E393-T395 VanDerWaalsContact C-N 3.33Å; E393-T395 PolarHBondContact O-N 3.06Å; T395-L399 HydrophobicContact CG2-CD1 4.29Å; T395-L399 PolarHBondContact O-N 3.17Å
396R69.3Low57Low200 Ų200121.4 Ų121.476%0.75562%0.623SS**Hα-helixtrans-67.6-36.9175.6-82.7-178165.6171.2-1.3113.4E392 E393 L394 R400E392-R396 PolarHBondContact O-N 3.32Å; E393-R396 PolarHBondContact O-N 3.29Å; L394-R396 VanDerWaalsContact C-N 3.34Å; L394-R396 PolarHBondContact O-N 2.88Å; R396-R400 WeakPolarHBondContact O-CB 3.39Å; R396-R400 PolarHBondContact O-N 3.28Å; R396-R400 VanDerWaalsContact O-N 3.07Å
397L68.8Low56.4Low81 Ų81118.3 Ų118.342%0.42462%0.618SS.*Hα-helixtrans-64.6-49.2174.7-80.6161.7000110.8E393 L394 L399 R400 D401E393-L397 PolarHBondContact O-N 3.3Å; L394-L397 PolarHBondContact O-N 2.93Å; L397-L399 PolarHBondContact O-N 3.38Å; L397-R400 PolarHBondContact O-N 2.74Å; L397-D401 PolarHBondContact O-N 2.92Å
398L66.8Low55.4Low118 Ų118119.7 Ų119.762%0.61863%0.632SS**Hα-helixtrans-60-41.3177.6-69.9168000112.7L394 R400 A402L394-L398 WeakPolarHBondContact O-CG 3.44Å; L394-L398 PolarHBondContact O-N 3.1Å; L398-R400 VanDerWaalsContact C-N 3.32Å; L398-R400 PolarHBondContact O-N 3.08Å; L398-A402 WeakPolarHBondContact O-CB 3.49Å; L398-A402 PolarHBondContact O-N 2.94Å
399L61.5Low54.5Low122 Ų122123.5 Ų123.564%0.63965%0.648SS**Hα-helixtrans-64.7-34.4173.4-10369.5000112.8T395 L397 A403T395-L399 HydrophobicContact CG2-CD1 4.29Å; T395-L399 PolarHBondContact O-N 3.17Å; L397-L399 PolarHBondContact O-N 3.38Å; L399-A403 WeakPolarHBondContact O-CB 3.25Å; L399-A403 PolarHBondContact O-N 2.85Å
400R66.8Low53.5Low177 Ų177121.4 Ų121.467%0.66865%0.652SS**Hα-helixtrans-73.1-35.2-179.7-170.5172.568.6170.5-0112.6R396 L397 L398R396-R400 WeakPolarHBondContact O-CB 3.39Å; R396-R400 PolarHBondContact O-N 3.28Å; R396-R400 VanDerWaalsContact O-N 3.07Å; L397-R400 PolarHBondContact O-N 2.74Å; L398-R400 VanDerWaalsContact C-N 3.32Å; L398-R400 PolarHBondContact O-N 3.08Å
401D58.8Low52.1Low72 Ų72122.9 Ų122.939%0.38567%0.665SS.*Hα-helixtrans-73.8-40.4173.5-76.6-48.8000111.7L397 A403 R404L397-D401 PolarHBondContact O-N 2.92Å; D401-A403 VanDerWaalsContact C-N 3.27Å; D401-A403 PolarHBondContact O-N 2.82Å; D401-R404 WeakPolarHBondContact O-CB 3.38Å; D401-R404 PolarHBondContact O-N 3.02Å; D401-R404 IonicContact OD1-CZ 3.6Å; D401-R404 IonicContact OD1-NE 3.8Å; D401-R404 IonicContact OD1-NH2 2.78Å; D401-R404 PolarHBondContact OD1-NH2 3.46Å
402A51.2Low51.2Low71 Ų71119.8 Ų119.859%0.58767%0.67SS**Hα-helixtrans-59-36.6172.700000112.8L398 R404L398-A402 WeakPolarHBondContact O-CB 3.49Å; L398-A402 PolarHBondContact O-N 2.94Å; A402-R404 PolarHBondContact O-N 2.67Å
403A48.8Very low49.8Very low81 Ų81122.4 Ų122.467%0.66969%0.687SS**Hα-helixtrans-69.8-10174.900000114.4L399 D401L399-A403 WeakPolarHBondContact O-CB 3.25Å; L399-A403 PolarHBondContact O-N 2.85Å; D401-A403 VanDerWaalsContact C-N 3.27Å; D401-A403 PolarHBondContact O-N 2.82Å
404R48.5Very low47.9Very low193 Ų193127.4 Ų127.473%0.72870%0.7SS**Hα-helixtrans-99.4-18.5-177.7-168.517155.3162.6-8.3114D401 A402D401-R404 WeakPolarHBondContact O-CB 3.38Å; D401-R404 PolarHBondContact O-N 3.02Å; D401-R404 IonicContact OD1-CZ 3.6Å; D401-R404 IonicContact OD1-NE 3.8Å; D401-R404 IonicContact OD1-NH2 2.78Å; D401-R404 PolarHBondContact OD1-NH2 3.46Å; A402-R404 PolarHBondContact O-N 2.67Å
405E47.7Very low46.1Very low185 Ų185130.5 Ų130.586%0.86472%0.716SS**Hα-helixtrans-93.4-10.1175.4-61.3-162.9144.200113.4G407E405-G407 PolarHBondContact O-N 2.78Å
406G47.5Very low43.9Very low70 Ų70136.1 Ų136.172%0.72273%0.734SS**SBendtrans-94.970.8-175.900000115.6
407G32Very low41.8Very low81 Ų81132.5 Ų132.584%0.83573%0.73SS**  trans175.8123.4167.200000117.4E405E405-G407 PolarHBondContact O-N 2.78Å
408G29.9Very low39.8Very low81 Ų81136.4 Ų136.484%0.83575%0.746SS**  trans128.676.9160.700000116.6
409L30.1Very low38.2Very low157 Ų157136.5 Ų136.582%0.82275%0.754SS**  trans-146.8133.8163.4-154.785.2000111.9
410L32Very low36.6Very low160 Ų160137.2 Ų137.284%0.83876%0.757SS**  trans66.3110.1170.2-48.7-174.5000119.1
411E28.7Very low35Very low203 Ų203134.6 Ų134.695%0.94976%0.763SS**  -150.9153.9129.7-157.7168.1-155.900109.9
412G27.8Very low33.6Very low73 Ų73135.9 Ų135.975%0.75378%0.778SS**  trans107.2108.1169.300000117.1
413L29.3Very low33.3Very low169 Ų169138.5 Ų138.589%0.88579%0.789SS**  trans-120138.4166.5-74.3169.6000109.9
414R27.4Very low32.1Very low231 Ų231137.6 Ų137.687%0.87279%0.788SS**  trans166.6165.6131.6-87.5-72.5171.9174.5-2.4113.1
415L25.5Very low31.2Very low140 Ų140135.3 Ų135.373%0.73380%0.796SS**  trans-72.7153.2-166.9-65.163.3000115.3
416K24Very low30.2Very low193 Ų193130.4 Ų130.484%0.83979%0.786SS**  -155.4168.6127.9-149.659.1-179.6125.90112.5
417D25.6Very low29.2Very low125 Ų125133 Ų13367%0.66879%0.793SS**  trans-74.4173.3-156.9-55.4-97.7000119.1
418Q26.9Very low29.1Very low163 Ų163133.2 Ų133.276%0.76279%0.787SS**  trans-77.5160.2164.6-150-169.761.700110.9
419P31.9Very low29Very low120 Ų120136 Ų13678%0.77979%0.788SS**  -149.2171.696.838.2-20.6000116.6
420L29.1Very low28.9Very low136 Ų136131.5 Ų131.571%0.71278%0.78SS**  trans-72.8161.3168.6-97.6156.7000111.9
421P31.8Very low29.6Very low122 Ų122129.7 Ų129.779%0.79278%0.778SS**  -150.5178.666.942-21.5000118.5
422S30.1Very low29.6Very low99 Ų99126.4 Ų126.469%0.69277%0.772SS**  trans-101.5-165.9166.9650000109.4
423P44.1Very low29.8Very low126 Ų126134 Ų13482%0.81878%0.778SS**  cis-137.8-172.15.644-25.4000115.9
424G25.2Very low31Very low63 Ų63131.2 Ų131.265%0.64977%0.77SS**  trans179.494.6166.800000116.3
425T27.8Very low31.2Very low145 Ų145127.2 Ų127.289%0.8976%0.761SS**  trans33.8140.9143.750.90000122.4
426A26.5Very low31.4Very low81 Ų81128.3 Ų128.367%0.66976%0.762SS**  cis-170.2164.8-4.400000111.7
427S27.7Very low31.8Very low124 Ų124126 Ų12687%0.86776%0.759SS**  trans47.4148.7146.9-62.40000121.8
428A29.4Very low32.2Very low86 Ų86125 Ų12571%0.71176%0.762SS**  cis-167173.9-15.500000105.9
429T29.1Very low32.5Very low139 Ų139121.1 Ų121.185%0.85377%0.765SS**  cis-154.7160.414.1-30.20000108.5
430G26.2Very low32.7Very low63 Ų63120.6 Ų120.665%0.64977%0.771SS**  trans-89.5-148.8169.200000113
431P46.6Very low32.9Very low122 Ų122118.7 Ų118.779%0.79278%0.775SS**  cis-145.5-162.22.430.5-3.9000115.8
432V30.1Very low33.7Very low135 Ų135116.9 Ų116.982%0.81878%0.779SS**  trans98.4143.9155.3-166.80000119.8
433R32.4Very low34.4Very low233 Ų233123.5 Ų123.588%0.87979%0.788SS**  trans-146.1168.4174.3-89.7-175.9173.1-173.3-1.8106.2
434P53.6Low34.3Very low110 Ų110125.8 Ų125.871%0.71479%0.788SS**  cis-133.7-164.2-8.833.8-11.1000113.8
435Q30.6Very low35.3Very low146 Ų146130 Ų13068%0.68280%0.801SS**  trans101.5128.7138.3-162.7161.8-12.500121.2
436E29.7Very low36.4Very low164 Ų164127.2 Ų127.277%0.76679%0.793SS**  trans73114.9154.1-83.8150.8-161.700125.9
437D32.7Very low37.7Very low145 Ų145132.4 Ų132.478%0.77580%0.803SS**  trans87.8145133.3-155.646.5000123.9
438S35.6Very low39Very low104 Ų104131.8 Ų131.873%0.72779%0.791SS**  trans39.4130.2160.254.60000122.6
439G32Very low40.5Very low81 Ų81139.2 Ų139.284%0.83580%0.8SS**  trans161.199.1166.600000114.1
440A35.9Very low42.2Very low108 Ų108138 Ų13889%0.89379%0.785SS**  trans-75.4138.1-176.600000114.2
441A33.3Very low44.6Very low97 Ų97141.2 Ų141.280%0.80278%0.783SS**  trans-164.5130.5134.900000110
442G48Very low46.3Very low84 Ų84140.8 Ų140.887%0.86677%0.769SS**  trans-73.3134.6170.400000110.7
443R45.3Very low48.7Very low238 Ų238138.4 Ų138.490%0.89875%0.748SS**  trans-132.7127.6165.9-145.6172.7-169.3173.63109.1
444E41.8Very low51.2Low174 Ų174128 Ų12881%0.81371%0.713SS**  trans-66.4136.3-160.8-61.7130.1114.300112.8A446E444-A446 HydrophobicContact CB-CB 4.25Å; E444-A446 PolarHBondContact O-N 3.02Å
445T46.3Very low52.9Low150 Ų150126.4 Ų126.492%0.9270%0.701SS**  trans-72.871.8165.652.10000109.6
446A51.6Low55.6Low88 Ų88119.5 Ų119.573%0.72767%0.669SS**  trans-98.322.1-175.200000113.3E444E444-A446 HydrophobicContact CB-CB 4.25Å; E444-A446 PolarHBondContact O-N 3.02Å
447E53.7Low58.3Low189 Ų189116 Ų11688%0.88366%0.658SS**SBendtrans-92.3113.8177.2-70.3-166.2106.400112.2R449E447-R449 PolarHBondContact O-N 2.86Å
448N54.4Low60.7Low112 Ų112114.1 Ų114.160%0.59964%0.643SS**  trans53.758.3156.7-162.330.3000116.8Q450N448-Q450 PolarHBondContact ND2-NE2 3Å; N448-Q450 PolarHBondContact O-N 3.29Å; N448-Q450 VanDerWaalsContact OD1-CG 3.24Å; N448-Q450 WeakPolarHBondContact OD1-CG 3.14Å; N448-Q450 PolarHBondContact OD1-NE2 3.06Å; N448-Q450 VanDerWaalsContact OD1-NE2 3.11Å
449R60.8Low63.1Low242 Ų242111.7 Ų111.791%0.91363%0.626SS**  trans-68.273.8151.8-69.9-171.973.2174.52.3109.3E447 E451E447-R449 PolarHBondContact O-N 2.86Å; R449-E451 PolarHBondContact O-N 2.93Å
450Q64.4Low65.6Low112 Ų112110.7 Ų110.752%0.52362%0.615SS.*  trans-60.1101.9170-117.6162.245.600107.9N448 F452 Y464N448-Q450 PolarHBondContact ND2-NE2 3Å; N448-Q450 PolarHBondContact O-N 3.29Å; N448-Q450 VanDerWaalsContact OD1-CG 3.24Å; N448-Q450 WeakPolarHBondContact OD1-CG 3.14Å; N448-Q450 PolarHBondContact OD1-NE2 3.06Å; N448-Q450 VanDerWaalsContact OD1-NE2 3.11Å; Q450-F452 PolarHBondContact O-N 2.94Å; Q450-F452 VanDerWaalsContact O-N 3.14Å; Q450-Y464 HydrophobicContact CB-CD1 4.35Å
451E77Confident68Low131 Ų131112.6 Ų112.661%0.61260%0.604SS**  trans-59120.7-171.9-67.4-176.1142.200110.2R449 F453 Y464 G465R449-E451 PolarHBondContact O-N 2.93Å; E451-F453 HydrophobicContact CB-CD2 4.34Å; E451-F453 HydrophobicContact CB-CE2 3.54Å; E451-F453 HydrophobicContact CB-CZ 3.78Å; E451-F453 WeakPolarHBondContact O-CD2 3.39Å; E451-F453 VanDerWaalsContact O-CE2 3.27Å; E451-F453 WeakPolarHBondContact O-CE2 3.27Å; E451-F453 PolarHBondContact O-N 3.3Å; E451-Y464 WeakPolarHBondContact O-CA 3.21Å; E451-G465 PolarHBondContact O-N 2.91Å
452F81.9Confident70.6Confident114 Ų114108.7 Ų108.750%0.557%0.573SS.*EExtended strand (participates in β ladder)trans-87106.5178.4172.7-96.5000108.4Q450 G454 Y464Q450-F452 PolarHBondContact O-N 2.94Å; Q450-F452 VanDerWaalsContact O-N 3.14Å; F452-G454 WeakPolarHBondContact CE2-O 3.49Å; F452-Y464 HydrophobicContact CB-CD1 4.22Å; F452-Y464 HydrophobicContact CB-CE1 4.06Å; F452-Y464 HydrophobicContact CD2-CD1 4.31Å; F452-Y464 AromaticContact CD2-CE1 3.72Å; F452-Y464 HydrophobicContact CD2-CE1 3.72Å; F452-Y464 AromaticContact CD2-CZ 3.89Å; F452-Y464 HydrophobicContact CG-CE1 4.37Å
453F81.6Confident72.5Confident85 Ų85104.7 Ų104.737%0.37353%0.531SS..EExtended strand (participates in β ladder)trans-83.6-17.5-178-69.8-87.3000112.7E451 V463 G465 A466 A469 L476E451-F453 HydrophobicContact CB-CD2 4.34Å; E451-F453 HydrophobicContact CB-CE2 3.54Å; E451-F453 HydrophobicContact CB-CZ 3.78Å; E451-F453 WeakPolarHBondContact O-CD2 3.39Å; E451-F453 VanDerWaalsContact O-CE2 3.27Å; E451-F453 WeakPolarHBondContact O-CE2 3.27Å; E451-F453 PolarHBondContact O-N 3.3Å; F453-V463 PolarHBondContact N-O 3.3Å; F453-G465 VanDerWaalsContact CE2-C 3.47Å; F453-A466 HydrophobicContact CE2-CB 4.34Å; F453-A466 VanDerWaalsContact CE2-N 3.33Å; F453-A466 HydrophobicContact CZ-CB 4.02Å; F453-A469 HydrophobicContact CB-CB 4.49Å; F453-L476 WeakPolarHBondContact O-CD1 3.05Å
454G85.6Confident74.5Confident14 Ų1498.7 Ų98.714%0.14451%0.51CS..EExtended strand (participates in β ladder)trans143.1-167.4179.100000112.4F452 V463F452-G454 WeakPolarHBondContact CE2-O 3.49Å; G454-V463 PolarHBondContact O-N 2.94Å
455T87.8Confident76.4Confident77 Ų7791.4 Ų91.447%0.47248%0.481SS..EExtended strand (participates in β ladder)trans-102.2135.2-179.2-56.50000111V457 G460T455-V457 PolarHBondContact O-N 3.19Å; T455-G460 WeakPolarHBondContact CG2-O 3.43Å
456C89Confident77.8Confident1 Ų187.2 Ų87.21%0.00746%0.462CS..  trans-74.6121.6177.9173.40000112K458 C459 G460 K461 V463 L476 H478C456-K458 VanDerWaalsContact C-N 3.26Å; C456-K458 PolarHBondContact O-N 2.99Å; C456-K458 PolarHBondContact SG-N 3.3Å; C456-C459 PolarHBondContact O-N 3.44Å; C456-C459 VanDerWaalsContact SG-SG 3.7Å; C456-G460 WeakPolarHBondContact O-CA 3.1Å; C456-G460 PolarHBondContact O-N 3.24Å; C456-K461 PolarHBondContact N-O 3.36Å; C456-V463 HydrophobicContact CB-CG2 3.88Å; C456-L476 CarbonylContact C-O 3.58Å; C456-L476 VanDerWaalsContact CA-O 3.3Å; C456-L476 WeakPolarHBondContact CA-O 3.4Å; C456-H478 WeakPolarHBondContact CB-CE1 3.41Å; C456-H478 VanDerWaalsContact CB-ND1 3.28Å; C456-H478 WeakPolarHBondContact CB-ND1 3.46Å
457V85.8Confident79Confident89 Ų8989 Ų8954%0.53946%0.459SS..THydrogen-bonded Turntrans-62.2-31-178.9-179.90000112.7T455 H475 L476 Y477T455-V457 PolarHBondContact O-N 3.19Å; V457-H475 HydrophobicContact CG2-CB 3.88Å; V457-L476 PolarHBondContact N-O 3.21Å; V457-Y477 HydrophobicContact CB-CE1 3.99Å
458K83.6Confident80.2Confident106 Ų10683.4 Ų83.446%0.46144%0.435SS..THydrogen-bonded Turntrans-76.1-20.4179.2-94.9-83.7-168.2178.30115.1C456 Y477 C481C456-K458 VanDerWaalsContact C-N 3.26Å; C456-K458 PolarHBondContact O-N 2.99Å; C456-K458 PolarHBondContact SG-N 3.3Å; K458-Y477 HydrophobicContact CB-CD1 3.97Å; K458-Y477 HydrophobicContact CB-CE1 4.28Å; K458-Y477 HydrophobicContact CG-CD1 3.73Å; K458-Y477 HydrophobicContact CG-CE1 3.73Å; K458-C481 HydrophobicContact CB-CB 3.89Å
459C86.3Confident81.5Confident53 Ų5379.3 Ų79.336%0.35842%0.418SS..THydrogen-bonded Turntrans-143.2-1.7-171.377.30000116C456 K461 H478C456-C459 PolarHBondContact O-N 3.44Å; C456-C459 VanDerWaalsContact SG-SG 3.7Å; C459-K461 PolarHBondContact O-N 3Å; C459-K461 VanDerWaalsContact O-N 3.15Å; C459-H478 PolarHBondContact SG-CE1 3.43Å; C459-H478 PolarHBondContact SG-ND1 3.36Å; C459-H478 VanDerWaalsContact SG-ND1 3.39Å
460G83.5Confident82.6Confident60 Ų6068.9 Ų68.962%0.61938%0.381SS*.SBendtrans70.42.2177.300000115.8T455 C456T455-G460 WeakPolarHBondContact CG2-O 3.43Å; C456-G460 WeakPolarHBondContact O-CA 3.1Å; C456-G460 PolarHBondContact O-N 3.24Å
461K86.9Confident83.5Confident148 Ų14870.7 Ų70.764%0.64339%0.39SS*.  trans-97.3151.4-177.5-61.3179.6-175.9-177.50112C456 C459 H478C456-K461 PolarHBondContact N-O 3.36Å; C459-K461 PolarHBondContact O-N 3Å; C459-K461 VanDerWaalsContact O-N 3.15Å; K461-H478 WeakPolarHBondContact CB-CE1 3.45Å; K461-H478 PolarHBondContact O-CE1 2.79Å
462G87.8Confident83.5Confident15 Ų1564.8 Ų64.816%0.15536%0.364CS..EExtended strand (participates in β ladder)trans-59.2142.9173.900000113.1H478G462-H478 PolarHBondContact O-CE1 3.27Å; G462-H478 PolarHBondContact O-NE2 3.24Å
463V87.8Confident83.3Confident0 Ų062.6 Ų62.60%036%0.357CS..EExtended strand (participates in β ladder)trans-101.1114.8174.1-174.10000107.8F453 G454 C456 A469 H478F453-V463 PolarHBondContact N-O 3.3Å; G454-V463 PolarHBondContact O-N 2.94Å; C456-V463 HydrophobicContact CB-CG2 3.88Å; V463-A469 HydrophobicContact CG1-CB 3.73Å; V463-H478 WeakPolarHBondContact CA-NE2 3.42Å; V463-H478 PolarHBondContact N-NE2 3.27Å
464Y86.9Confident83.1Confident112 Ų11265.5 Ų65.544%0.43938%0.376SS..EExtended strand (participates in β ladder)trans-116.5129-177-58.2-87000110.7Q450 E451 F452 N468Q450-Y464 HydrophobicContact CB-CD1 4.35Å; E451-Y464 WeakPolarHBondContact O-CA 3.21Å; F452-Y464 HydrophobicContact CB-CD1 4.22Å; F452-Y464 HydrophobicContact CB-CE1 4.06Å; F452-Y464 HydrophobicContact CD2-CD1 4.31Å; F452-Y464 AromaticContact CD2-CE1 3.72Å; F452-Y464 HydrophobicContact CD2-CE1 3.72Å; F452-Y464 AromaticContact CD2-CZ 3.89Å; F452-Y464 HydrophobicContact CG-CE1 4.37Å; Y464-N468 PolarHBondContact O-ND2 3.18Å
465G81.8Confident83Confident21 Ų2169.1 Ų69.122%0.21639%0.389CS..SBendtrans78136.8-177.500000113.8E451 F453 D467 N468E451-G465 PolarHBondContact O-N 2.91Å; F453-G465 VanDerWaalsContact CE2-C 3.47Å; G465-D467 VanDerWaalsContact C-N 3.29Å; G465-D467 PolarHBondContact O-N 3.24Å; G465-N468 PolarHBondContact O-N 2.96Å; G465-N468 VanDerWaalsContact O-N 3.17Å
466A75.1Confident83Confident63 Ų6367.2 Ų67.252%0.52138%0.376SS..G310 helixtrans-58.8-37.6-17500000113F453 N468 A469F453-A466 HydrophobicContact CE2-CB 4.34Å; F453-A466 VanDerWaalsContact CE2-N 3.33Å; F453-A466 HydrophobicContact CZ-CB 4.02Å; A466-N468 PolarHBondContact O-N 2.72Å; A466-N468 VanDerWaalsContact O-N 3.1Å; A466-A469 PolarHBondContact O-N 3.34Å
467D77.3Confident83Confident124 Ų12467.9 Ų67.966%0.66338%0.378SS*.G310 helixtrans-61.5-21.7-179.2-58.3-57000114.5G465 T479 R492G465-D467 VanDerWaalsContact C-N 3.29Å; G465-D467 PolarHBondContact O-N 3.24Å; D467-T479 VanDerWaalsContact O-CG2 3.25Å; D467-T479 WeakPolarHBondContact O-CG2 3.32Å; D467-R492 PolarHBondContact O-NH2 3.36Å
468N78.7Confident83.1Confident72 Ų7265.5 Ų65.539%0.38536%0.361SS..G310 helixtrans-98.3-12.3178.6-67.2-54.2000112.9Y464 G465 A466 H478 T479Y464-N468 PolarHBondContact O-ND2 3.18Å; G465-N468 PolarHBondContact O-N 2.96Å; G465-N468 VanDerWaalsContact O-N 3.17Å; A466-N468 PolarHBondContact O-N 2.72Å; A466-N468 VanDerWaalsContact O-N 3.1Å; N468-H478 CarbonylContact O-C 3.58Å; N468-H478 VanDerWaalsContact O-CA 3.25Å; N468-H478 WeakPolarHBondContact O-CA 3.1Å; N468-T479 PolarHBondContact O-N 3.46Å
469A81.7Confident83.2Confident27 Ų2761.1 Ų61.122%0.22334%0.343CS..EExtended strand (participates in β ladder)trans-83134.9179.500000111.6F453 V463 A466 L476F453-A469 HydrophobicContact CB-CB 4.49Å; V463-A469 HydrophobicContact CG1-CB 3.73Å; A466-A469 PolarHBondContact O-N 3.34Å; A469-L476 HydrophobicContact CB-CD2 4.19Å
470C83.5Confident83.1Confident22 Ų2268.6 Ų68.615%0.14936%0.364CS..EExtended strand (participates in β ladder)trans-131.8103.4167.8-75.10000107.4Y477 T479 F482C470-Y477 PolarHBondContact N-O 3.25Å; C470-Y477 PolarHBondContact O-N 2.95Å; C470-T479 VanDerWaalsContact SG-CG2 3.53Å; C470-F482 HydrophobicContact CB-CB 4.31Å; C470-F482 HydrophobicContact CB-CG 4.49Å
471Q83.8Confident83.2Confident150 Ų15067.2 Ų67.270%0.70135%0.345SS*.EExtended strand (participates in β ladder)trans-85.8123.7169.7-173176.12.100108.5H475Q471-H475 WeakPolarHBondContact CA-O 3.25Å
472A77.3Confident83.3Confident8 Ų860.6 Ų60.67%0.06632%0.316CS..EExtended strand (participates in β ladder)trans-149.1136.5177.400000108.8D474 H475 Y477 F482 F496A472-D474 VanDerWaalsContact C-N 3.25Å; A472-D474 PolarHBondContact O-N 3.27Å; A472-H475 PolarHBondContact N-O 3.24Å; A472-H475 PolarHBondContact O-N 3.4Å; A472-H475 VanDerWaalsContact O-O 3.06Å; A472-Y477 HydrophobicContact CB-CD2 4.44Å; A472-Y477 HydrophobicContact CB-CE2 4.44Å; A472-F482 HydrophobicContact CB-CD2 4.31Å; A472-F482 HydrophobicContact CB-CE1 4.4Å; A472-F482 HydrophobicContact CB-CE2 3.47Å; A472-F482 VanDerWaalsContact CB-CE2 3.47Å; A472-F482 HydrophobicContact CB-CZ 3.53Å; A472-F496 HydrophobicContact CB-CE1 4.49Å; A472-F496 HydrophobicContact CB-CE2 4.17Å; A472-F496 HydrophobicContact CB-CZ 3.79Å
473L76.9Confident83.4Confident68 Ų6861.3 Ų61.336%0.35632%0.317SS..THydrogen-bonded Turntrans55.842.5176.3-50158.9000111.8H475 F496 N498 V503L473-H475 PolarHBondContact O-N 3.17Å; L473-F496 HydrophobicContact CD1-CE2 4.16Å; L473-F496 HydrophobicContact CD2-CE2 4.25Å; L473-F496 HydrophobicContact CG-CE2 4.03Å; L473-N498 HydrophobicContact CD1-CB 3.7Å; L473-N498 HydrophobicContact CD2-CB 3.83Å; L473-N498 HydrophobicContact CG-CB 4.42Å; L473-V503 HydrophobicContact CD1-CG1 3.48Å; L473-V503 VanDerWaalsContact CD1-CG1 3.48Å
474D77.9Confident83.4Confident146 Ų14661.4 Ų61.478%0.78132%0.318SS*.THydrogen-bonded Turntrans55.122.3-175.9-53.2-42.1000115.1A472A472-D474 VanDerWaalsContact C-N 3.25Å; A472-D474 PolarHBondContact O-N 3.27Å
475H84.3Confident83.3Confident89 Ų8959.5 Ų59.541%0.41232%0.318SS..EExtended strand (participates in β ladder)trans-125143178.7-70.8-7.5000111.4V457 Q471 A472 L473 Y477V457-H475 HydrophobicContact CG2-CB 3.88Å; Q471-H475 WeakPolarHBondContact CA-O 3.25Å; A472-H475 PolarHBondContact N-O 3.24Å; A472-H475 PolarHBondContact O-N 3.4Å; A472-H475 VanDerWaalsContact O-O 3.06Å; L473-H475 PolarHBondContact O-N 3.17Å; H475-Y477 HydrophobicContact CB-CD2 4.47Å; H475-Y477 HydrophobicContact CB-CE2 3.56Å; H475-Y477 WeakPolarHBondContact CB-OH 3.49Å
476L87.3Confident83.3Confident37 Ų3761.4 Ų61.419%0.19433%0.328CS..EExtended strand (participates in β ladder)trans-91.1134.7176.2-97.1161.8000111.2F453 C456 V457 A469F453-L476 WeakPolarHBondContact O-CD1 3.05Å; C456-L476 CarbonylContact C-O 3.58Å; C456-L476 VanDerWaalsContact CA-O 3.3Å; C456-L476 WeakPolarHBondContact CA-O 3.4Å; V457-L476 PolarHBondContact N-O 3.21Å; A469-L476 HydrophobicContact CB-CD2 4.19Å
477Y87.8Confident83.8Confident16 Ų1660.6 Ų60.66%0.06332%0.318CS..EExtended strand (participates in β ladder)trans-132.5149.6175.4-56.8-80.4000110.4V457 K458 C470 A472 H475 F482V457-Y477 HydrophobicContact CB-CE1 3.99Å; K458-Y477 HydrophobicContact CB-CD1 3.97Å; K458-Y477 HydrophobicContact CB-CE1 4.28Å; K458-Y477 HydrophobicContact CG-CD1 3.73Å; K458-Y477 HydrophobicContact CG-CE1 3.73Å; C470-Y477 PolarHBondContact N-O 3.25Å; C470-Y477 PolarHBondContact O-N 2.95Å; A472-Y477 HydrophobicContact CB-CD2 4.44Å; A472-Y477 HydrophobicContact CB-CE2 4.44Å; H475-Y477 HydrophobicContact CB-CD2 4.47Å; H475-Y477 HydrophobicContact CB-CE2 3.56Å; H475-Y477 WeakPolarHBondContact CB-OH 3.49Å; Y477-F482 AromaticContact CD2-CD2 3.64Å; Y477-F482 HydrophobicContact CD2-CD2 3.64Å; Y477-F482 HydrophobicContact CD2-CE2 4.12Å; Y477-F482 HydrophobicContact CE2-CD2 4.15Å; Y477-F482 HydrophobicContact CE2-CE2 4.28Å; Y477-F482 HydrophobicContact CG-CB 4.46Å; Y477-F482 AromaticContact CG-CD2 3.9Å; Y477-F482 HydrophobicContact CG-CD2 3.9Å
478H88.6Confident84Confident39 Ų3956.8 Ų56.818%0.18131%0.308CS..EExtended strand (participates in β ladder)trans-68148.7159.2-58.699000109.6C456 C459 K461 G462 V463 N468 R480 C481 F482C456-H478 WeakPolarHBondContact CB-CE1 3.41Å; C456-H478 VanDerWaalsContact CB-ND1 3.28Å; C456-H478 WeakPolarHBondContact CB-ND1 3.46Å; C459-H478 PolarHBondContact SG-CE1 3.43Å; C459-H478 PolarHBondContact SG-ND1 3.36Å; C459-H478 VanDerWaalsContact SG-ND1 3.39Å; K461-H478 WeakPolarHBondContact CB-CE1 3.45Å; K461-H478 PolarHBondContact O-CE1 2.79Å; G462-H478 PolarHBondContact O-CE1 3.27Å; G462-H478 PolarHBondContact O-NE2 3.24Å; V463-H478 WeakPolarHBondContact CA-NE2 3.42Å; V463-H478 PolarHBondContact N-NE2 3.27Å; N468-H478 CarbonylContact O-C 3.58Å; N468-H478 VanDerWaalsContact O-CA 3.25Å; N468-H478 WeakPolarHBondContact O-CA 3.1Å; H478-R480 PolarHBondContact O-N 2.95Å; H478-C481 HydrophobicContact CB-CB 4.07Å; H478-C481 WeakPolarHBondContact O-CA 3.27Å; H478-C481 PolarHBondContact O-N 3.33Å; H478-F482 PolarHBondContact O-N 2.98Å
479T85.6Confident84.3Confident14 Ų1458.4 Ų58.49%0.08631%0.309CS..THydrogen-bonded Turntrans-47.7-32.6170.345.10000114.1D467 N468 C470D467-T479 VanDerWaalsContact O-CG2 3.25Å; D467-T479 WeakPolarHBondContact O-CG2 3.32Å; N468-T479 PolarHBondContact O-N 3.46Å; C470-T479 VanDerWaalsContact SG-CG2 3.53Å
480R83.7Confident84.6Confident209 Ų20960.7 Ų60.779%0.78932%0.32SS*.THydrogen-bonded Turntrans-86.2-18.9177.3-56.2-175.4-171.4-173.32.4114.3H478 T483H478-R480 PolarHBondContact O-N 2.95Å; R480-T483 WeakPolarHBondContact O-CG2 3.48Å
481C86.1Confident84.6Confident32 Ų3259.8 Ų59.822%0.21631%0.314CS..THydrogen-bonded Turntrans-96.2-16.3179.4-65.70000112.8K458 H478 T483K458-C481 HydrophobicContact CB-CB 3.89Å; H478-C481 HydrophobicContact CB-CB 4.07Å; H478-C481 WeakPolarHBondContact O-CA 3.27Å; H478-C481 PolarHBondContact O-N 3.33Å; C481-T483 PolarHBondContact O-N 3.1Å
482F88.3Confident84.5Confident8 Ų858.6 Ų58.64%0.03530%0.303CS..  trans-78.471.5172.4-164.9-120000110.5C470 A472 Y477 H478 T490 L491 F496 V503C470-F482 HydrophobicContact CB-CB 4.31Å; C470-F482 HydrophobicContact CB-CG 4.49Å; A472-F482 HydrophobicContact CB-CD2 4.31Å; A472-F482 HydrophobicContact CB-CE1 4.4Å; A472-F482 HydrophobicContact CB-CE2 3.47Å; A472-F482 VanDerWaalsContact CB-CE2 3.47Å; A472-F482 HydrophobicContact CB-CZ 3.53Å; Y477-F482 AromaticContact CD2-CD2 3.64Å; Y477-F482 HydrophobicContact CD2-CD2 3.64Å; Y477-F482 HydrophobicContact CD2-CE2 4.12Å; Y477-F482 HydrophobicContact CE2-CD2 4.15Å; Y477-F482 HydrophobicContact CE2-CE2 4.28Å; Y477-F482 HydrophobicContact CG-CB 4.46Å; Y477-F482 AromaticContact CG-CD2 3.9Å; Y477-F482 HydrophobicContact CG-CD2 3.9Å; H478-F482 PolarHBondContact O-N 2.98Å; F482-T490 WeakPolarHBondContact O-CA 3.33Å; F482-L491 HydrophobicContact CD1-CB 3.57Å; F482-L491 HydrophobicContact CE1-CB 3.48Å; F482-L491 VanDerWaalsContact CE1-CB 3.48Å; F482-L491 HydrophobicContact CE1-CD1 4.37Å; F482-L491 HydrophobicContact CG-CB 4.45Å; F482-L491 HydrophobicContact CZ-CB 4.3Å; F482-L491 HydrophobicContact CZ-CD1 4.4Å; F482-L491 PolarHBondContact O-N 2.83Å; F482-F496 AromaticContact CE1-CD1 3.76Å; F482-F496 HydrophobicContact CE1-CD1 3.76Å; F482-F496 AromaticContact CE1-CE1 3.98Å; F482-F496 HydrophobicContact CE1-CE1 3.98Å; F482-F496 HydrophobicContact CE1-CG 4.17Å; F482-F496 HydrophobicContact CZ-CB 4.46Å; F482-F496 AromaticContact CZ-CD1 3.68Å; F482-F496 HydrophobicContact CZ-CD1 3.68Å; F482-F496 AromaticContact CZ-CD2 3.89Å; F482-F496 HydrophobicContact CZ-CD2 3.89Å; F482-F496 AromaticContact CZ-CE1 3.78Å; F482-F496 HydrophobicContact CZ-CE1 3.78Å; F482-F496 AromaticContact CZ-CE2 3.98Å; F482-F496 HydrophobicContact CZ-CE2 3.98Å; F482-F496 AromaticContact CZ-CG 3.75Å; F482-F496 HydrophobicContact CZ-CG 3.75Å; F482-F496 AromaticContact CZ-CZ 3.93Å; F482-F496 HydrophobicContact CZ-CZ 3.93Å; F482-V503 HydrophobicContact CE2-CG1 4.11Å
483T89.9Confident84.5Confident30 Ų3065.8 Ų65.818%0.18434%0.34CS..BIsolated β-bridgetrans-114.8149.5-177.652.70000111.7R480 C481 G488 R489 T490R480-T483 WeakPolarHBondContact O-CG2 3.48Å; C481-T483 PolarHBondContact O-N 3.1Å; T483-G488 WeakPolarHBondContact CB-O 3.32Å; T483-G488 VanDerWaalsContact CG2-O 3.25Å; T483-G488 WeakPolarHBondContact CG2-O 3.34Å; T483-R489 WeakPolarHBondContact CA-O 3.45Å; T483-T490 HydrophobicContact CG2-CG2 3.77Å
484C88.8Confident84.7Confident3 Ų368.4 Ų68.42%0.0235%0.349CS..  trans-63.5139.5170.7178.40000111.3S486 G488 R489 L491 V503 Y504 C505 D508C484-S486 PolarHBondContact SG-N 3.23Å; C484-S486 VanDerWaalsContact SG-N 3.38Å; C484-G488 VanDerWaalsContact O-CA 3.23Å; C484-G488 WeakPolarHBondContact O-CA 3.49Å; C484-G488 PolarHBondContact O-N 3.01Å; C484-R489 PolarHBondContact N-O 2.92Å; C484-L491 HydrophobicContact CB-CD1 4.35Å; C484-L491 HydrophobicContact CB-CD2 4.2Å; C484-L491 HydrophobicContact CB-CG 4.41Å; C484-V503 WeakPolarHBondContact CA-O 3.4Å; C484-Y504 VanDerWaalsContact SG-CA 3.58Å; C484-C505 HydrophobicContact CB-CB 4.15Å; C484-C505 PolarHBondContact SG-N 2.91Å; C484-D508 PolarHBondContact SG-OD2 2.83Å
485V85Confident84.9Confident72 Ų7265.8 Ų65.844%0.43634%0.335SS..THydrogen-bonded Turntrans-66.6-37.6176.51790000112.8V503 Y504V485-V503 PolarHBondContact N-O 3.23Å; V485-Y504 HydrophobicContact CB-CE1 4.32Å
486S82.5Confident84.8Confident61 Ų6165 Ų6543%0.42733%0.33SS..THydrogen-bonded Turntrans-76.9-61.9-179.1-56.40000113C484 Y504 D508 S512C484-S486 PolarHBondContact SG-N 3.23Å; C484-S486 VanDerWaalsContact SG-N 3.38Å; S486-Y504 WeakPolarHBondContact OG-CD1 3.39Å; S486-Y504 WeakPolarHBondContact OG-CE1 3.35Å; S486-D508 WeakPolarHBondContact CB-OD2 3.47Å; S486-S512 PolarHBondContact OG-OG 3.35Å
487C84Confident84.7Confident45 Ų4567.2 Ų67.230%0.30434%0.336SS..THydrogen-bonded Turntrans-93.1-2.6-175.571.10000116.1R489 D508C487-R489 HydrophobicContact CB-CG 4.38Å; C487-R489 PolarHBondContact O-N 3.46Å; C487-R489 VanDerWaalsContact SG-CB 3.55Å; C487-R489 PolarHBondContact SG-N 3.08Å; C487-R489 PolarHBondContact SG-NE 3.45Å; C487-D508 WeakPolarHBondContact CB-OD2 3.5Å; C487-D508 PolarHBondContact N-OD2 3.04Å; C487-D508 PolarHBondContact SG-OD2 3.47Å
488G82.9Confident84.5Confident45 Ų4570 Ų7046%0.46435%0.353SS..  trans67.5-6.2-177.100000116.3T483 C484T483-G488 WeakPolarHBondContact CB-O 3.32Å; T483-G488 VanDerWaalsContact CG2-O 3.25Å; T483-G488 WeakPolarHBondContact CG2-O 3.34Å; C484-G488 VanDerWaalsContact O-CA 3.23Å; C484-G488 WeakPolarHBondContact O-CA 3.49Å; C484-G488 PolarHBondContact O-N 3.01Å
489R85.1Confident84Confident106 Ų10669.8 Ų69.840%0.435%0.354SS..  trans-66.1139-178.4-65.4177.9-84.1163.20.3111.1T483 C484 C487 E507 D508T483-R489 WeakPolarHBondContact CA-O 3.45Å; C484-R489 PolarHBondContact N-O 2.92Å; C487-R489 HydrophobicContact CB-CG 4.38Å; C487-R489 PolarHBondContact O-N 3.46Å; C487-R489 VanDerWaalsContact SG-CB 3.55Å; C487-R489 PolarHBondContact SG-N 3.08Å; C487-R489 PolarHBondContact SG-NE 3.45Å; R489-E507 IonicContact CZ-OE1 3.18Å; R489-E507 IonicContact CZ-OE2 3.73Å; R489-E507 VanDerWaalsContact NH1-CD 3.33Å; R489-E507 IonicContact NH1-OE1 2.72Å; R489-E507 PolarHBondContact NH1-OE1 3.34Å; R489-E507 IonicContact NH1-OE2 2.74Å; R489-E507 PolarHBondContact NH1-OE2 2.97Å; R489-E507 IonicContact NH2-OE2 3.97Å; R489-E507 PolarHBondContact NH2-OE2 3.09Å; R489-D508 IonicContact NH2-OD1 2.72Å
490T86.4Confident83.6Confident75 Ų7577.1 Ų77.146%0.4639%0.392SS..BIsolated β-bridgetrans-66.2134.9175.750.30000111.5F482 T483F482-T490 WeakPolarHBondContact O-CA 3.33Å; T483-T490 HydrophobicContact CG2-CG2 3.77Å
491L84.9Confident83.3Confident3 Ų370.1 Ų70.12%0.01639%0.385CS..  trans-9510.3-174.9-62.5171.8000113.3F482 C484 N493 K494 F496 V503 C505F482-L491 HydrophobicContact CD1-CB 3.57Å; F482-L491 HydrophobicContact CE1-CB 3.48Å; F482-L491 VanDerWaalsContact CE1-CB 3.48Å; F482-L491 HydrophobicContact CE1-CD1 4.37Å; F482-L491 HydrophobicContact CG-CB 4.45Å; F482-L491 HydrophobicContact CZ-CB 4.3Å; F482-L491 HydrophobicContact CZ-CD1 4.4Å; F482-L491 PolarHBondContact O-N 2.83Å; C484-L491 HydrophobicContact CB-CD1 4.35Å; C484-L491 HydrophobicContact CB-CD2 4.2Å; C484-L491 HydrophobicContact CB-CG 4.41Å; L491-N493 PolarHBondContact O-N 2.84Å; L491-K494 PolarHBondContact O-N 3.07Å; L491-F496 HydrophobicContact CB-CB 4.42Å; L491-F496 HydrophobicContact CD1-CB 3.92Å; L491-F496 HydrophobicContact CD2-CB 4.41Å; L491-F496 HydrophobicContact CG-CB 4.49Å; L491-V503 HydrophobicContact CD1-CB 4.02Å; L491-V503 HydrophobicContact CD1-CG2 4.28Å; L491-C505 HydrophobicContact CD2-CB 3.42Å; L491-C505 VanDerWaalsContact CD2-CB 3.42Å
492R80.7Confident83.2Confident125 Ų12570.5 Ų70.547%0.47239%0.389SS..THydrogen-bonded Turntrans-56.2124.6177.4-171.7-179.6-169.7178.79.3110.1D467 K494D467-R492 PolarHBondContact O-NH2 3.36Å; R492-K494 VanDerWaalsContact C-N 3.27Å; R492-K494 PolarHBondContact O-N 3.22Å
493N77.8Confident83Confident159 Ų15970.5 Ų70.585%0.8539%0.389SS*.THydrogen-bonded Turntrans57.532.1179.8-52.82.1000114.1L491L491-N493 PolarHBondContact O-N 2.84Å
494K81.1Confident82.8Confident123 Ų12371.4 Ų71.454%0.53539%0.389SS..SBendtrans-129.7154175.8-70-166.1170.8-161.80112.1L491 R492 F496L491-K494 PolarHBondContact O-N 3.07Å; R492-K494 VanDerWaalsContact C-N 3.27Å; R492-K494 PolarHBondContact O-N 3.22Å; K494-F496 PolarHBondContact O-N 2.84Å
495D81.4Confident82.7Confident91 Ų9171.6 Ų71.649%0.48739%0.391SS..  trans-55.3125.1167.6-60.6-20.4000110.3Y497 K506D495-Y497 HydrophobicContact CB-CE2 4.45Å; D495-K506 HydrophobicContact CB-CB 4.25Å; D495-K506 HydrophobicContact CB-CD 4.19Å; D495-K506 PolarHBondContact O-N 3.46Å; D495-K506 WeakPolarHBondContact OD2-CD 3.28Å; D495-K506 IonicContact OD2-NZ 3.58Å; D495-K506 PolarHBondContact OD2-NZ 3.47Å
496F83.7Confident82.5Confident73 Ų7372.7 Ų72.732%0.3239%0.39SS..EExtended strand (participates in β ladder)trans-131152.8175.865.6-95000111A472 L473 F482 L491 K494 V503 Y504A472-F496 HydrophobicContact CB-CE1 4.49Å; A472-F496 HydrophobicContact CB-CE2 4.17Å; A472-F496 HydrophobicContact CB-CZ 3.79Å; L473-F496 HydrophobicContact CD1-CE2 4.16Å; L473-F496 HydrophobicContact CD2-CE2 4.25Å; L473-F496 HydrophobicContact CG-CE2 4.03Å; F482-F496 AromaticContact CE1-CD1 3.76Å; F482-F496 HydrophobicContact CE1-CD1 3.76Å; F482-F496 AromaticContact CE1-CE1 3.98Å; F482-F496 HydrophobicContact CE1-CE1 3.98Å; F482-F496 HydrophobicContact CE1-CG 4.17Å; F482-F496 HydrophobicContact CZ-CB 4.46Å; F482-F496 AromaticContact CZ-CD1 3.68Å; F482-F496 HydrophobicContact CZ-CD1 3.68Å; F482-F496 AromaticContact CZ-CD2 3.89Å; F482-F496 HydrophobicContact CZ-CD2 3.89Å; F482-F496 AromaticContact CZ-CE1 3.78Å; F482-F496 HydrophobicContact CZ-CE1 3.78Å; F482-F496 AromaticContact CZ-CE2 3.98Å; F482-F496 HydrophobicContact CZ-CE2 3.98Å; F482-F496 AromaticContact CZ-CG 3.75Å; F482-F496 HydrophobicContact CZ-CG 3.75Å; F482-F496 AromaticContact CZ-CZ 3.93Å; F482-F496 HydrophobicContact CZ-CZ 3.93Å; L491-F496 HydrophobicContact CB-CB 4.42Å; L491-F496 HydrophobicContact CD1-CB 3.92Å; L491-F496 HydrophobicContact CD2-CB 4.41Å; L491-F496 HydrophobicContact CG-CB 4.49Å; K494-F496 PolarHBondContact O-N 2.84Å; F496-V503 HydrophobicContact CD2-CG1 4.38Å; F496-Y504 WeakPolarHBondContact CA-O 3.4Å
497Y83.6Confident82.4Confident82 Ų8274.6 Ų74.632%0.32239%0.392SS..EExtended strand (participates in β ladder)trans-127.7138.4-178.2-62.5-93.3000110.1D495 V503 Y504 K506 Y509D495-Y497 HydrophobicContact CB-CE2 4.45Å; Y497-V503 WeakPolarHBondContact O-CA 3.47Å; Y497-Y504 PolarHBondContact N-O 3.48Å; Y497-Y504 PolarHBondContact O-N 3.3Å; Y497-K506 HydrophobicContact CE2-CB 3.96Å; Y497-K506 HydrophobicContact CE2-CG 4.02Å; Y497-Y509 VanDerWaalsContact CB-CD2 3.44Å; Y497-Y509 VanDerWaalsContact CB-CG 3.43Å; Y497-Y509 AromaticContact CD1-CD1 3.59Å; Y497-Y509 HydrophobicContact CD1-CD1 3.59Å; Y497-Y509 HydrophobicContact CD1-CD2 4.5Å; Y497-Y509 AromaticContact CD1-CE1 3.46Å; Y497-Y509 HydrophobicContact CD1-CE1 3.46Å; Y497-Y509 VanDerWaalsContact CD1-CE1 3.46Å; Y497-Y509 HydrophobicContact CD1-CE2 4.39Å; Y497-Y509 HydrophobicContact CD1-CG 4.12Å; Y497-Y509 AromaticContact CD1-CZ 3.89Å; Y497-Y509 AromaticContact CD2-CD1 3.51Å; Y497-Y509 HydrophobicContact CD2-CD1 3.51Å; Y497-Y509 HydrophobicContact CD2-CE1 4.27Å; Y497-Y509 AromaticContact CD2-CG 3.68Å; Y497-Y509 HydrophobicContact CD2-CG 3.68Å; Y497-Y509 AromaticContact CE1-CD1 3.98Å; Y497-Y509 HydrophobicContact CE1-CD1 3.98Å; Y497-Y509 AromaticContact CE1-CE1 3.81Å; Y497-Y509 HydrophobicContact CE1-CE1 3.81Å; Y497-Y509 AromaticContact CE2-CD1 3.92Å; Y497-Y509 HydrophobicContact CE2-CD1 3.92Å; Y497-Y509 HydrophobicContact CE2-CG 4.49Å; Y497-Y509 AromaticContact CG-CD1 3.34Å; Y497-Y509 HydrophobicContact CG-CD1 3.34Å; Y497-Y509 AromaticContact CG-CD2 3.94Å; Y497-Y509 HydrophobicContact CG-CD2 3.94Å; Y497-Y509 AromaticContact CG-CE1 3.72Å; Y497-Y509 HydrophobicContact CG-CE1 3.72Å; Y497-Y509 HydrophobicContact CG-CE2 4.26Å; Y497-Y509 AromaticContact CG-CG 3.46Å; Y497-Y509 HydrophobicContact CG-CG 3.46Å; Y497-Y509 VanDerWaalsContact CG-CG 3.46Å
498N83.6Confident82.2Confident75 Ų7573.4 Ų73.440%0.40138%0.383SS..EExtended strand (participates in β ladder)trans-98.5124.5174.4-175.91.1000109.5L473 G501 S502L473-N498 HydrophobicContact CD1-CB 3.7Å; L473-N498 HydrophobicContact CD2-CB 3.83Å; L473-N498 HydrophobicContact CG-CB 4.42Å; N498-G501 WeakPolarHBondContact OD1-CA 3.2Å; N498-G501 PolarHBondContact OD1-N 2.86Å; N498-S502 WeakPolarHBondContact CA-O 3.42Å; N498-S502 PolarHBondContact OD1-N 2.99Å
499V79.1Confident82Confident35 Ų3574.6 Ų74.621%0.21237%0.374CS..EExtended strand (participates in β ladder)trans-127.9118.8168.2-171.20000108G501 S502 Y504 Y509V499-G501 PolarHBondContact O-N 3.36Å; V499-S502 PolarHBondContact N-O 2.88Å; V499-S502 WeakPolarHBondContact O-CB 3.37Å; V499-S502 PolarHBondContact O-N 3.27Å; V499-Y504 HydrophobicContact CB-CD2 4.18Å; V499-Y504 HydrophobicContact CB-CE2 3.89Å; V499-Y504 HydrophobicContact CG2-CD2 4.12Å; V499-Y504 HydrophobicContact CG2-CE2 4.3Å; V499-Y509 HydrophobicContact CG2-CD2 3.7Å; V499-Y509 HydrophobicContact CG2-CE2 3.47Å; V499-Y509 VanDerWaalsContact CG2-CE2 3.47Å
500N77.4Confident81.5Confident167 Ų16773.6 Ų73.689%0.89338%0.375SS*.THydrogen-bonded Turntrans52.637177.7-54.9-22.7000114S502N500-S502 VanDerWaalsContact C-N 3.28Å; N500-S502 PolarHBondContact O-N 3.44Å
501G76.9Confident80.6Confident62 Ų6276.8 Ų76.864%0.63938%0.382SS*.THydrogen-bonded Turntrans82.4-2.4-178.200000114.8N498 V499N498-G501 WeakPolarHBondContact OD1-CA 3.2Å; N498-G501 PolarHBondContact OD1-N 2.86Å; V499-G501 PolarHBondContact O-N 3.36Å
502S83.3Confident79.7Confident41 Ų4179.8 Ų79.829%0.28740%0.403SS..EExtended strand (participates in β ladder)trans-98.9132.5175.5-69.30000111.1N498 V499 N500 Y504N498-S502 WeakPolarHBondContact CA-O 3.42Å; N498-S502 PolarHBondContact OD1-N 2.99Å; V499-S502 PolarHBondContact N-O 2.88Å; V499-S502 WeakPolarHBondContact O-CB 3.37Å; V499-S502 PolarHBondContact O-N 3.27Å; N500-S502 VanDerWaalsContact C-N 3.28Å; N500-S502 PolarHBondContact O-N 3.44Å; S502-Y504 VanDerWaalsContact CB-CE2 3.49Å; S502-Y504 VanDerWaalsContact O-CD2 3.27Å; S502-Y504 WeakPolarHBondContact O-CD2 3.33Å; S502-Y504 WeakPolarHBondContact O-CE2 3.49Å
503V84.8Confident78.5Confident7 Ų776.1 Ų76.14%0.04240%0.404CS..EExtended strand (participates in β ladder)trans-90.8129.6177.2-810000112.3L473 F482 C484 V485 L491 F496 Y497L473-V503 HydrophobicContact CD1-CG1 3.48Å; L473-V503 VanDerWaalsContact CD1-CG1 3.48Å; F482-V503 HydrophobicContact CE2-CG1 4.11Å; C484-V503 WeakPolarHBondContact CA-O 3.4Å; V485-V503 PolarHBondContact N-O 3.23Å; L491-V503 HydrophobicContact CD1-CB 4.02Å; L491-V503 HydrophobicContact CD1-CG2 4.28Å; F496-V503 HydrophobicContact CD2-CG1 4.38Å; Y497-V503 WeakPolarHBondContact O-CA 3.47Å
504Y85.2Confident77.4Confident49 Ų4976.3 Ų76.319%0.19240%0.398CS..EExtended strand (participates in β ladder)trans-119144.1179.4-61.8-87000110.6C484 V485 S486 F496 Y497 V499 S502C484-Y504 VanDerWaalsContact SG-CA 3.58Å; V485-Y504 HydrophobicContact CB-CE1 4.32Å; S486-Y504 WeakPolarHBondContact OG-CD1 3.39Å; S486-Y504 WeakPolarHBondContact OG-CE1 3.35Å; F496-Y504 WeakPolarHBondContact CA-O 3.4Å; Y497-Y504 PolarHBondContact N-O 3.48Å; Y497-Y504 PolarHBondContact O-N 3.3Å; V499-Y504 HydrophobicContact CB-CD2 4.18Å; V499-Y504 HydrophobicContact CB-CE2 3.89Å; V499-Y504 HydrophobicContact CG2-CD2 4.12Å; V499-Y504 HydrophobicContact CG2-CE2 4.3Å; S502-Y504 VanDerWaalsContact CB-CE2 3.49Å; S502-Y504 VanDerWaalsContact O-CD2 3.27Å; S502-Y504 WeakPolarHBondContact O-CD2 3.33Å; S502-Y504 WeakPolarHBondContact O-CE2 3.49Å
505C87.5Confident76.1Confident7 Ų772.4 Ų72.45%0.04738%0.381CS..EExtended strand (participates in β ladder)trans-71.4160.9166.679.90000109.3C484 L491 E507 D508 Y509C484-C505 HydrophobicContact CB-CB 4.15Å; C484-C505 PolarHBondContact SG-N 2.91Å; L491-C505 HydrophobicContact CD2-CB 3.42Å; L491-C505 VanDerWaalsContact CD2-CB 3.42Å; C505-E507 VanDerWaalsContact C-N 3.27Å; C505-E507 PolarHBondContact O-N 3.11Å; C505-D508 PolarHBondContact O-N 2.86Å; C505-D508 PolarHBondContact SG-N 3.14Å; C505-D508 PolarHBondContact SG-OD2 3.29Å; C505-D508 VanDerWaalsContact SG-OD2 3.4Å; C505-Y509 WeakPolarHBondContact O-CB 3.43Å; C505-Y509 PolarHBondContact O-N 3.45Å
506K81.5Confident74.7Confident96 Ų9673.6 Ų73.642%0.41740%0.404SS..Hα-helixtrans-50-44.7177.4-174.4174.7-165.4160.90114.1D495 Y497 M510D495-K506 HydrophobicContact CB-CB 4.25Å; D495-K506 HydrophobicContact CB-CD 4.19Å; D495-K506 PolarHBondContact O-N 3.46Å; D495-K506 WeakPolarHBondContact OD2-CD 3.28Å; D495-K506 IonicContact OD2-NZ 3.58Å; D495-K506 PolarHBondContact OD2-NZ 3.47Å; Y497-K506 HydrophobicContact CE2-CB 3.96Å; Y497-K506 HydrophobicContact CE2-CG 4.02Å; K506-M510 WeakPolarHBondContact O-CG 3.46Å; K506-M510 PolarHBondContact O-N 2.97Å
507E79.3Confident73.3Confident100 Ų10074.4 Ų74.447%0.46743%0.425SS..Hα-helixtrans-61.9-56.3179.4-57.7157.5-130.800110.5R489 C505 Y509 M510 F511R489-E507 IonicContact CZ-OE1 3.18Å; R489-E507 IonicContact CZ-OE2 3.73Å; R489-E507 VanDerWaalsContact NH1-CD 3.33Å; R489-E507 IonicContact NH1-OE1 2.72Å; R489-E507 PolarHBondContact NH1-OE1 3.34Å; R489-E507 IonicContact NH1-OE2 2.74Å; R489-E507 PolarHBondContact NH1-OE2 2.97Å; R489-E507 IonicContact NH2-OE2 3.97Å; R489-E507 PolarHBondContact NH2-OE2 3.09Å; C505-E507 VanDerWaalsContact C-N 3.27Å; C505-E507 PolarHBondContact O-N 3.11Å; E507-Y509 PolarHBondContact O-N 3.25Å; E507-M510 PolarHBondContact O-N 3.03Å; E507-F511 WeakPolarHBondContact O-CB 3.45Å; E507-F511 PolarHBondContact O-N 2.84Å
508D79.5Confident72.3Confident21 Ų2172 Ų7211%0.11242%0.421CS..Hα-helixtrans-70.7-28.5-177-59.8-15.8000113C484 S486 C487 R489 C505 F511 S512C484-D508 PolarHBondContact SG-OD2 2.83Å; S486-D508 WeakPolarHBondContact CB-OD2 3.47Å; C487-D508 WeakPolarHBondContact CB-OD2 3.5Å; C487-D508 PolarHBondContact N-OD2 3.04Å; C487-D508 PolarHBondContact SG-OD2 3.47Å; R489-D508 IonicContact NH2-OD1 2.72Å; C505-D508 PolarHBondContact O-N 2.86Å; C505-D508 PolarHBondContact SG-N 3.14Å; C505-D508 PolarHBondContact SG-OD2 3.29Å; C505-D508 VanDerWaalsContact SG-OD2 3.4Å; D508-F511 PolarHBondContact O-N 3.42Å; D508-S512 WeakPolarHBondContact O-CA 3.48Å; D508-S512 WeakPolarHBondContact O-CB 3.43Å; D508-S512 PolarHBondContact O-N 2.53Å; D508-S512 PolarHBondContact O-OG 3.46Å
509Y78.4Confident71.7Confident70 Ų7071.7 Ų71.728%0.27542%0.417SS..Hα-helixtrans-63.6-46.3175.2170.4-112.3000110.7Y497 V499 C505 E507Y497-Y509 VanDerWaalsContact CB-CD2 3.44Å; Y497-Y509 VanDerWaalsContact CB-CG 3.43Å; Y497-Y509 AromaticContact CD1-CD1 3.59Å; Y497-Y509 HydrophobicContact CD1-CD1 3.59Å; Y497-Y509 HydrophobicContact CD1-CD2 4.5Å; Y497-Y509 AromaticContact CD1-CE1 3.46Å; Y497-Y509 HydrophobicContact CD1-CE1 3.46Å; Y497-Y509 VanDerWaalsContact CD1-CE1 3.46Å; Y497-Y509 HydrophobicContact CD1-CE2 4.39Å; Y497-Y509 HydrophobicContact CD1-CG 4.12Å; Y497-Y509 AromaticContact CD1-CZ 3.89Å; Y497-Y509 AromaticContact CD2-CD1 3.51Å; Y497-Y509 HydrophobicContact CD2-CD1 3.51Å; Y497-Y509 HydrophobicContact CD2-CE1 4.27Å; Y497-Y509 AromaticContact CD2-CG 3.68Å; Y497-Y509 HydrophobicContact CD2-CG 3.68Å; Y497-Y509 AromaticContact CE1-CD1 3.98Å; Y497-Y509 HydrophobicContact CE1-CD1 3.98Å; Y497-Y509 AromaticContact CE1-CE1 3.81Å; Y497-Y509 HydrophobicContact CE1-CE1 3.81Å; Y497-Y509 AromaticContact CE2-CD1 3.92Å; Y497-Y509 HydrophobicContact CE2-CD1 3.92Å; Y497-Y509 HydrophobicContact CE2-CG 4.49Å; Y497-Y509 AromaticContact CG-CD1 3.34Å; Y497-Y509 HydrophobicContact CG-CD1 3.34Å; Y497-Y509 AromaticContact CG-CD2 3.94Å; Y497-Y509 HydrophobicContact CG-CD2 3.94Å; Y497-Y509 AromaticContact CG-CE1 3.72Å; Y497-Y509 HydrophobicContact CG-CE1 3.72Å; Y497-Y509 HydrophobicContact CG-CE2 4.26Å; Y497-Y509 AromaticContact CG-CG 3.46Å; Y497-Y509 HydrophobicContact CG-CG 3.46Å; Y497-Y509 VanDerWaalsContact CG-CG 3.46Å; V499-Y509 HydrophobicContact CG2-CD2 3.7Å; V499-Y509 HydrophobicContact CG2-CE2 3.47Å; V499-Y509 VanDerWaalsContact CG2-CE2 3.47Å; C505-Y509 WeakPolarHBondContact O-CB 3.43Å; C505-Y509 PolarHBondContact O-N 3.45Å; E507-Y509 PolarHBondContact O-N 3.25Å
510M74.6Confident71.7Confident85 Ų8576.7 Ų76.742%0.41944%0.436SS..Hα-helixtrans-64.2-51.4173.9-64.4-179.887.700109.5K506 E507 Q515K506-M510 WeakPolarHBondContact O-CG 3.46Å; K506-M510 PolarHBondContact O-N 2.97Å; E507-M510 PolarHBondContact O-N 3.03Å; M510-Q515 WeakPolarHBondContact O-CB 3.24Å; M510-Q515 PolarHBondContact O-NE2 3.04Å; M510-Q515 PolarHBondContact O-OE1 3.21Å
511F68.3Low72Confident142 Ų14268.8 Ų68.862%0.62339%0.394SS*.Hα-helixtrans-70.7-36.6-171.6-156.2-97.4000115.2E507 D508 L527E507-F511 WeakPolarHBondContact O-CB 3.45Å; E507-F511 PolarHBondContact O-N 2.84Å; D508-F511 PolarHBondContact O-N 3.42Å; F511-L527 HydrophobicContact CE2-CD1 4.24Å
512S65.5Low72.1Confident65 Ų6568.8 Ų68.846%0.45538%0.384SS..Hα-helixtrans-93.5-31.1-170-41.10000114.3S486 D508S486-S512 PolarHBondContact OG-OG 3.35Å; D508-S512 WeakPolarHBondContact O-CA 3.48Å; D508-S512 WeakPolarHBondContact O-CB 3.43Å; D508-S512 PolarHBondContact O-N 2.53Å; D508-S512 PolarHBondContact O-OG 3.46Å
513G56.8Low72Confident48 Ų4871.3 Ų71.350%0.49540%0.398SS..Hα-helixtrans-106.4-40.2-156.600000116.6
514F53.4Low71.8Confident163 Ų16373.3 Ų73.372%0.71541%0.412SS*.SBendtrans-132.56.9-169.2-103.1-95.2000114.2A516F514-A516 VanDerWaalsContact C-N 3.27Å; F514-A516 PolarHBondContact O-N 3.41Å
515Q54.3Low71.3Confident41 Ų4173.3 Ų73.319%0.19243%0.427CS..G310 helixtrans-83.16.8-168.7-137.1124.581.300115.2M510 A517 A518 L527M510-Q515 WeakPolarHBondContact O-CB 3.24Å; M510-Q515 PolarHBondContact O-NE2 3.04Å; M510-Q515 PolarHBondContact O-OE1 3.21Å; Q515-A517 PolarHBondContact O-N 3.45Å; Q515-A517 VanDerWaalsContact O-N 3.1Å; Q515-A518 HydrophobicContact CB-CB 4.45Å; Q515-A518 HydrophobicContact CG-CB 3.39Å; Q515-A518 PolarHBondContact O-N 2.97Å; Q515-L527 HydrophobicContact CG-CD1 4.41Å
516A52.5Low70.8Confident116 Ų11679.5 Ų79.596%0.95945%0.454SS*.G310 helixtrans-62.4-13.4172.600000113.9F514F514-A516 VanDerWaalsContact C-N 3.27Å; F514-A516 PolarHBondContact O-N 3.41Å
517A53.9Low70.5Confident91 Ų9178.1 Ų78.175%0.75245%0.451SS*.G310 helixtrans-107.46.1173.300000113.8Q515Q515-A517 PolarHBondContact O-N 3.45Å; Q515-A517 VanDerWaalsContact O-N 3.1Å
518A62.7Low70.2Confident30 Ų3074 Ų7425%0.24843%0.432CS..PPolyproline II helixtrans-78131.6173.700000111.3Q515 K520 L527Q515-A518 HydrophobicContact CB-CB 4.45Å; Q515-A518 HydrophobicContact CG-CB 3.39Å; Q515-A518 PolarHBondContact O-N 2.97Å; A518-K520 PolarHBondContact O-N 2.9Å; A518-L527 HydrophobicContact CB-CD2 4.37Å
519E70.9Confident69.6Low69 Ų6978.1 Ų78.132%0.32245%0.454SS..PPolyproline II helixtrans-76.9118.6-178.5-56.9-178.914500109.3I528 Q534 S539E519-I528 WeakPolarHBondContact O-CB 3.46Å; E519-I528 WeakPolarHBondContact O-CG1 3.27Å; E519-I528 PolarHBondContact O-N 2.93Å; E519-I528 VanDerWaalsContact O-N 3.07Å; E519-Q534 PolarHBondContact OE1-NE2 2.98Å; E519-Q534 PolarHBondContact OE2-NE2 3.18Å; E519-S539 VanDerWaalsContact CD-OG 3.22Å; E519-S539 VanDerWaalsContact OE2-CB 3.31Å; E519-S539 WeakPolarHBondContact OE2-CB 3.36Å; E519-S539 PolarHBondContact OE2-OG 3.17Å
520K79.3Confident69Low141 Ų14183 Ų8361%0.61348%0.479SS*.BIsolated β-bridgetrans-71.9141.917162.9-178.4-179.7178.10109.8A518 S522 L527A518-K520 PolarHBondContact O-N 2.9Å; K520-S522 PolarHBondContact O-N 3.43Å; K520-L527 HydrophobicContact CB-CD2 4.5Å
521C83.7Confident68.1Low1 Ų186.1 Ų86.11%0.00749%0.493CS..BIsolated β-bridgetrans-71.1123.2176.2179.60000111.1V523 C524 G525 H526 I528 S539 H541C521-V523 PolarHBondContact O-N 2.91Å; C521-V523 VanDerWaalsContact O-N 3.09Å; C521-C524 PolarHBondContact O-N 2.8Å; C521-G525 WeakPolarHBondContact O-CA 3.43Å; C521-G525 PolarHBondContact O-N 3.31Å; C521-H526 PolarHBondContact N-O 3.13Å; C521-I528 HydrophobicContact CB-CD1 3.99Å; C521-I528 HydrophobicContact CB-CG1 3.91Å; C521-S539 WeakPolarHBondContact CA-O 3.45Å; C521-H541 VanDerWaalsContact CB-CE1 3.4Å; C521-H541 WeakPolarHBondContact CB-CE1 3.37Å; C521-H541 WeakPolarHBondContact CB-ND1 3.38Å; C521-H541 PolarHBondContact SG-ND1 3.34Å
522S79.4Confident67.9Low62 Ų6283.3 Ų83.343%0.43448%0.483SS..THydrogen-bonded Turntrans-67.6-10.5-177-55.40000114.6K520 N538 S539K520-S522 PolarHBondContact O-N 3.43Å; S522-N538 PolarHBondContact OG-OD1 2.89Å; S522-S539 PolarHBondContact N-O 2.94Å
523V80.8Confident67.8Low93 Ų9382.1 Ų82.156%0.56447%0.471SS*.THydrogen-bonded Turntrans-95.1-42.2177.6172.70000113C521 Y540 C544C521-V523 PolarHBondContact O-N 2.91Å; C521-V523 VanDerWaalsContact O-N 3.09Å; V523-Y540 HydrophobicContact CG2-CD1 3.78Å; V523-Y540 HydrophobicContact CG2-CE1 3.89Å; V523-C544 HydrophobicContact CB-CB 4.15Å; V523-C544 HydrophobicContact CG1-CB 4.22Å
524C81Confident68.3Low50 Ų5085 Ų8534%0.33847%0.472SS..THydrogen-bonded Turntrans-117.1-0.9-17566.70000114.8C521 H526 H541C521-C524 PolarHBondContact O-N 2.8Å; C524-H526 PolarHBondContact O-CD2 2.94Å; C524-H526 VanDerWaalsContact O-CD2 3.25Å; C524-H526 PolarHBondContact O-N 3.28Å; C524-H541 VanDerWaalsContact SG-CE1 3.54Å; C524-H541 PolarHBondContact SG-ND1 3.39Å
525G74.8Confident68.6Low49 Ų4977.5 Ų77.551%0.50544%0.441SS..  trans71.9-16.7179.100000115.9C521C521-G525 WeakPolarHBondContact O-CA 3.43Å; C521-G525 PolarHBondContact O-N 3.31Å
526H76.1Confident69.3Low137 Ų13780.5 Ų80.563%0.63446%0.461SS*.  trans-69.7149.2-179.6-63-175.9000112C521 C524C521-H526 PolarHBondContact N-O 3.13Å; C524-H526 PolarHBondContact O-CD2 2.94Å; C524-H526 VanDerWaalsContact O-CD2 3.25Å; C524-H526 PolarHBondContact O-N 3.28Å
527L75.4Confident70.3Confident67 Ų6778.2 Ų78.235%0.35145%0.449SS..BIsolated β-bridgetrans-67.4131.3177.1-63.1171.9000111.1F511 Q515 A518 K520 L529F511-L527 HydrophobicContact CE2-CD1 4.24Å; Q515-L527 HydrophobicContact CG-CD1 4.41Å; A518-L527 HydrophobicContact CB-CD2 4.37Å; K520-L527 HydrophobicContact CB-CD2 4.5Å; L527-L529 PolarHBondContact O-N 3.01Å
528I73.2Confident71.3Confident13 Ų1376.4 Ų76.47%0.06743%0.426CS..  trans-83.5114.6175.2-56.8166.1000108.4E519 C521 I532 S539E519-I528 WeakPolarHBondContact O-CB 3.46Å; E519-I528 WeakPolarHBondContact O-CG1 3.27Å; E519-I528 PolarHBondContact O-N 2.93Å; E519-I528 VanDerWaalsContact O-N 3.07Å; C521-I528 HydrophobicContact CB-CD1 3.99Å; C521-I528 HydrophobicContact CB-CG1 3.91Å; I528-I532 HydrophobicContact CG2-CG2 3.98Å; I528-S539 VanDerWaalsContact CD1-C 3.5Å
529L66.6Low72.2Confident108 Ų10875.1 Ų75.157%0.56542%0.416SS*.  trans-94.6-10.5-178.7-65.6172.4000113.9L527L527-L529 PolarHBondContact O-N 3.01Å
530E66.1Low72.8Confident171 Ų17172.1 Ų72.180%0.79940%0.402SS*.SBendtrans-129.9-160.8-173.3-62.5-164.8145.500112I532E530-I532 PolarHBondContact O-N 2.94Å; E530-I532 VanDerWaalsContact O-N 3.11Å
531Q56Low73Confident152 Ų15267.6 Ų67.671%0.7138%0.382SS*.  trans-53.8112.9-172.3-173.9175.2-66.300113L533Q531-L533 PolarHBondContact O-N 3.5Å
532I62.9Low72.8Confident82 Ų8270.2 Ų70.242%0.42140%0.399SS..  trans-72.1123179.450.1169.9000112I528 E530I528-I532 HydrophobicContact CG2-CG2 3.98Å; E530-I532 PolarHBondContact O-N 2.94Å; E530-I532 VanDerWaalsContact O-N 3.11Å
533L63.6Low72.7Confident40 Ų4069.4 Ų69.421%0.20940%0.401CS..EExtended strand (participates in β ladder)trans-88101.8153.9-68.5-177.6000107.3Q531 Y540 P542 F545Q531-L533 PolarHBondContact O-N 3.5Å; L533-Y540 PolarHBondContact O-N 3.47Å; L533-P542 HydrophobicContact CD1-CB 4.41Å; L533-F545 HydrophobicContact CD1-CB 3.95Å; L533-F545 HydrophobicContact CD1-CD1 3.91Å; L533-F545 HydrophobicContact CD1-CG 3.99Å
534Q67.8Low72.9Confident108 Ų10866.5 Ų66.551%0.50539%0.385SS..EExtended strand (participates in β ladder)trans-99.4121.7-179.8-169.6172.364.200110E519 N538E519-Q534 PolarHBondContact OE1-NE2 2.98Å; E519-Q534 PolarHBondContact OE2-NE2 3.18Å; Q534-N538 CarbonylContact C-O 3.59Å; Q534-N538 WeakPolarHBondContact CA-O 3.31Å
535A60.4Low73.1Confident7 Ų764.3 Ų64.36%0.05837%0.369CS..EExtended strand (participates in β ladder)trans-137.4123.6-178.600000110.2G537 N538 Y540 F545 F559A535-G537 VanDerWaalsContact C-N 3.28Å; A535-G537 PolarHBondContact O-N 3.38Å; A535-N538 PolarHBondContact N-O 2.99Å; A535-N538 PolarHBondContact O-N 2.84Å; A535-N538 VanDerWaalsContact O-N 3.11Å; A535-N538 VanDerWaalsContact O-O 3.08Å; A535-Y540 HydrophobicContact CB-CD2 4.38Å; A535-Y540 HydrophobicContact CB-CE2 4.03Å; A535-F545 HydrophobicContact CB-CE2 3.97Å; A535-F545 HydrophobicContact CB-CZ 4.42Å; A535-F559 HydrophobicContact CB-CE2 3.86Å; A535-F559 HydrophobicContact CB-CZ 3.87Å
536V68.9Low73.8Confident104 Ų10467.5 Ų67.563%0.6337%0.366SS*.THydrogen-bonded Turntrans54.742-178.5-160.40000112.3N538 V561V536-N538 PolarHBondContact O-N 3.16Å; V536-V561 HydrophobicContact CG2-CB 3.75Å; V536-V561 HydrophobicContact CG2-CG1 3.83Å; V536-V561 HydrophobicContact CG2-CG2 3.91Å
537G72Confident74.4Confident67 Ų6761.1 Ų61.169%0.69134%0.337SS*.THydrogen-bonded Turntrans69.4-3.5-179.100000115.6A535A535-G537 VanDerWaalsContact C-N 3.28Å; A535-G537 PolarHBondContact O-N 3.38Å
538N76.6Confident75Confident53 Ų5362.3 Ų62.328%0.28335%0.346SS..EExtended strand (participates in β ladder)trans-97.4151.4171.2-77.9-66.5000110S522 Q534 A535 V536 Y540S522-N538 PolarHBondContact OG-OD1 2.89Å; Q534-N538 CarbonylContact C-O 3.59Å; Q534-N538 WeakPolarHBondContact CA-O 3.31Å; A535-N538 PolarHBondContact N-O 2.99Å; A535-N538 PolarHBondContact O-N 2.84Å; A535-N538 VanDerWaalsContact O-N 3.11Å; A535-N538 VanDerWaalsContact O-O 3.08Å; V536-N538 PolarHBondContact O-N 3.16Å; N538-Y540 HydrophobicContact CB-CE2 3.69Å; N538-Y540 VanDerWaalsContact CB-OH 3.27Å; N538-Y540 WeakPolarHBondContact CB-OH 3.49Å; N538-Y540 WeakPolarHBondContact O-CE2 3.44Å
539S81Confident75.8Confident3 Ų365.7 Ų65.72%0.02137%0.368CS..EExtended strand (participates in β ladder)trans-119.3145.7-177.2-60.90000111.6E519 C521 S522 I528E519-S539 VanDerWaalsContact CD-OG 3.22Å; E519-S539 VanDerWaalsContact OE2-CB 3.31Å; E519-S539 WeakPolarHBondContact OE2-CB 3.36Å; E519-S539 PolarHBondContact OE2-OG 3.17Å; C521-S539 WeakPolarHBondContact CA-O 3.45Å; S522-S539 PolarHBondContact N-O 2.94Å; I528-S539 VanDerWaalsContact CD1-C 3.5Å
540Y83.6Confident76.8Confident7 Ų762.2 Ų62.23%0.02735%0.352CS..EExtended strand (participates in β ladder)trans-136.8140.3-170-54.5-88.8000111.1V523 L533 A535 N538 F545 I567V523-Y540 HydrophobicContact CG2-CD1 3.78Å; V523-Y540 HydrophobicContact CG2-CE1 3.89Å; L533-Y540 PolarHBondContact O-N 3.47Å; A535-Y540 HydrophobicContact CB-CD2 4.38Å; A535-Y540 HydrophobicContact CB-CE2 4.03Å; N538-Y540 HydrophobicContact CB-CE2 3.69Å; N538-Y540 VanDerWaalsContact CB-OH 3.27Å; N538-Y540 WeakPolarHBondContact CB-OH 3.49Å; N538-Y540 WeakPolarHBondContact O-CE2 3.44Å; Y540-F545 AromaticContact CD2-CD2 3.87Å; Y540-F545 HydrophobicContact CD2-CD2 3.87Å; Y540-F545 HydrophobicContact CD2-CE2 4.15Å; Y540-F545 AromaticContact CG-CD2 3.85Å; Y540-F545 HydrophobicContact CG-CD2 3.85Å; Y540-I567 HydrophobicContact CD1-CD1 4.09Å; Y540-I567 HydrophobicContact CE1-CD1 3.77Å; Y540-I567 HydrophobicContact CE2-CD1 4.27Å; Y540-I567 HydrophobicContact CG-CD1 4.47Å
541H82.9Confident77.8Confident46 Ų4657.9 Ų57.921%0.21334%0.341CS..  trans-62.6143.6163.4-62.5104.1000109.4C521 C524 G543 C544 F545C521-H541 VanDerWaalsContact CB-CE1 3.4Å; C521-H541 WeakPolarHBondContact CB-CE1 3.37Å; C521-H541 WeakPolarHBondContact CB-ND1 3.38Å; C521-H541 PolarHBondContact SG-ND1 3.34Å; C524-H541 VanDerWaalsContact SG-CE1 3.54Å; C524-H541 PolarHBondContact SG-ND1 3.39Å; H541-G543 PolarHBondContact O-N 3.11Å; H541-G543 VanDerWaalsContact O-N 3.16Å; H541-C544 HydrophobicContact CB-CB 4.03Å; H541-C544 CarbonylContact O-C 3.55Å; H541-C544 WeakPolarHBondContact O-CA 3.21Å; H541-C544 PolarHBondContact O-N 3.2Å; H541-F545 PolarHBondContact O-N 3.38Å
542P79.4Confident79.2Confident55 Ų5557.6 Ų57.636%0.35734%0.337SS..THydrogen-bonded Turntrans-52.3-38.5172.7-28.235.4000113.1L533 C544 F545L533-P542 HydrophobicContact CD1-CB 4.41Å; P542-C544 VanDerWaalsContact C-N 3.31Å; P542-C544 PolarHBondContact O-N 3.47Å; P542-F545 PolarHBondContact O-N 3.33Å
543G77.9Confident80.3Confident46 Ų4655.9 Ų55.947%0.47434%0.335SS..THydrogen-bonded Turntrans-71.6-15.6175.200000115.8H541 R546H541-G543 PolarHBondContact O-N 3.11Å; H541-G543 VanDerWaalsContact O-N 3.16Å; G543-R546 PolarHBondContact O-NE 3.23Å; G543-R546 PolarHBondContact O-NH2 3.15Å
544C83.6Confident81.2Confident32 Ų3254.3 Ų54.322%0.21633%0.327CS..THydrogen-bonded Turntrans-101.5-17176.9-66.40000113.1V523 H541 P542 R546V523-C544 HydrophobicContact CB-CB 4.15Å; V523-C544 HydrophobicContact CG1-CB 4.22Å; H541-C544 HydrophobicContact CB-CB 4.03Å; H541-C544 CarbonylContact O-C 3.55Å; H541-C544 WeakPolarHBondContact O-CA 3.21Å; H541-C544 PolarHBondContact O-N 3.2Å; P542-C544 VanDerWaalsContact C-N 3.31Å; P542-C544 PolarHBondContact O-N 3.47Å; C544-R546 VanDerWaalsContact C-N 3.34Å; C544-R546 PolarHBondContact O-N 3.17Å
545F86.1Confident81.9Confident4 Ų453.8 Ų53.82%0.01833%0.328CS..  trans-76.881.5-177.8-167.7-107.2000111.2L533 A535 Y540 H541 P542 A553 L554 F559 I567L533-F545 HydrophobicContact CD1-CB 3.95Å; L533-F545 HydrophobicContact CD1-CD1 3.91Å; L533-F545 HydrophobicContact CD1-CG 3.99Å; A535-F545 HydrophobicContact CB-CE2 3.97Å; A535-F545 HydrophobicContact CB-CZ 4.42Å; Y540-F545 AromaticContact CD2-CD2 3.87Å; Y540-F545 HydrophobicContact CD2-CD2 3.87Å; Y540-F545 HydrophobicContact CD2-CE2 4.15Å; Y540-F545 AromaticContact CG-CD2 3.85Å; Y540-F545 HydrophobicContact CG-CD2 3.85Å; H541-F545 PolarHBondContact O-N 3.38Å; P542-F545 PolarHBondContact O-N 3.33Å; F545-A553 WeakPolarHBondContact O-CA 3.31Å; F545-L554 HydrophobicContact CD1-CB 3.88Å; F545-L554 HydrophobicContact CE1-CB 3.71Å; F545-L554 PolarHBondContact O-N 3.31Å; F545-F559 AromaticContact CE1-CD1 3.68Å; F545-F559 HydrophobicContact CE1-CD1 3.68Å; F545-F559 AromaticContact CE1-CE1 3.91Å; F545-F559 HydrophobicContact CE1-CE1 3.91Å; F545-F559 HydrophobicContact CE1-CG 4.07Å; F545-F559 HydrophobicContact CE1-CZ 4.48Å; F545-F559 HydrophobicContact CE2-CE2 4.49Å; F545-F559 AromaticContact CZ-CD1 3.56Å; F545-F559 HydrophobicContact CZ-CD1 3.56Å; F545-F559 AromaticContact CZ-CD2 3.79Å; F545-F559 HydrophobicContact CZ-CD2 3.79Å; F545-F559 AromaticContact CZ-CE1 3.56Å; F545-F559 HydrophobicContact CZ-CE1 3.56Å; F545-F559 AromaticContact CZ-CE2 3.8Å; F545-F559 HydrophobicContact CZ-CE2 3.8Å; F545-F559 AromaticContact CZ-CG 3.69Å; F545-F559 HydrophobicContact CZ-CG 3.69Å; F545-F559 AromaticContact CZ-CZ 3.68Å; F545-F559 HydrophobicContact CZ-CZ 3.68Å; F545-I567 HydrophobicContact CD2-CD1 3.71Å; F545-I567 HydrophobicContact CE2-CD1 3.65Å; F545-I567 HydrophobicContact CE2-CG1 4.35Å; F545-I567 HydrophobicContact CE2-CG2 4.15Å; F545-I567 HydrophobicContact CZ-CG2 4.14Å
546R89.1Confident82.7Confident116 Ų11657.4 Ų57.444%0.43837%0.365SS..BIsolated β-bridgetrans-127.8150.7-169.4-66.5174-178.4-89-3.9112.3G543 C544 S551 K552 A553G543-R546 PolarHBondContact O-NE 3.23Å; G543-R546 PolarHBondContact O-NH2 3.15Å; C544-R546 VanDerWaalsContact C-N 3.34Å; C544-R546 PolarHBondContact O-N 3.17Å; R546-S551 VanDerWaalsContact CD-O 3.31Å; R546-S551 WeakPolarHBondContact CD-O 3.32Å; R546-S551 WeakPolarHBondContact CG-O 3.39Å; R546-S551 PolarHBondContact NH1-O 2.88Å; R546-K552 VanDerWaalsContact CA-O 3.24Å; R546-K552 WeakPolarHBondContact CA-O 3.45Å; R546-A553 HydrophobicContact CG-CB 4.43Å
547C89.9Confident83.3Confident3 Ų355.7 Ų55.72%0.0236%0.355CS..  trans-67.3131.1168.6179.10000110.8V549 S551 K552 L554 I567 C569C547-V549 PolarHBondContact O-N 3.15Å; C547-V549 PolarHBondContact SG-N 3.33Å; C547-V549 VanDerWaalsContact SG-N 3.39Å; C547-S551 WeakPolarHBondContact O-CA 3.46Å; C547-S551 PolarHBondContact O-N 2.87Å; C547-K552 PolarHBondContact N-O 3.05Å; C547-L554 HydrophobicContact CB-CD1 4.06Å; C547-L554 HydrophobicContact CB-CD2 4.26Å; C547-L554 HydrophobicContact CB-CG 4.4Å; C547-I567 WeakPolarHBondContact CA-O 3.24Å; C547-C569 HydrophobicContact CB-CB 4.19Å; C547-C569 PolarHBondContact SG-N 3.15Å
548V88.3Confident83.7Confident91 Ų9157.2 Ų57.255%0.55235%0.353SS*.THydrogen-bonded Turntrans-61-32176.4177.30000112.5N566 I567 Y568V548-N566 HydrophobicContact CG2-CB 4.27Å; V548-I567 PolarHBondContact N-O 2.89Å; V548-Y568 HydrophobicContact CB-CE1 4.49Å
549V87.9Confident84.2Confident85 Ų8558.6 Ų58.652%0.51536%0.356SS..THydrogen-bonded Turntrans-82.1-52.4-176.7178.70000112.5C547 Y568 D572C547-V549 PolarHBondContact O-N 3.15Å; C547-V549 PolarHBondContact SG-N 3.33Å; C547-V549 VanDerWaalsContact SG-N 3.39Å; V549-Y568 HydrophobicContact CG2-CD1 3.78Å; V549-Y568 HydrophobicContact CG2-CE1 3.76Å; V549-D572 HydrophobicContact CB-CB 4.06Å; V549-D572 HydrophobicContact CG1-CB 4.15Å; V549-D572 HydrophobicContact CG2-CB 4.45Å
550C88.4Confident84.4Confident35 Ų3560.1 Ų60.124%0.23637%0.366CS..THydrogen-bonded Turntrans-104.10.8-174.969.50000115.6K552 D572C550-K552 HydrophobicContact CB-CG 4.37Å; C550-K552 PolarHBondContact O-N 3.18Å; C550-D572 VanDerWaalsContact CB-OD2 3.27Å; C550-D572 WeakPolarHBondContact CB-OD2 3.35Å; C550-D572 PolarHBondContact SG-OD2 3.39Å
551S86.4Confident84.6Confident80 Ų8061.6 Ų61.656%0.55938%0.375SS*.  trans58.7-0.9-179.2780000117R546 C547R546-S551 VanDerWaalsContact CD-O 3.31Å; R546-S551 WeakPolarHBondContact CD-O 3.32Å; R546-S551 WeakPolarHBondContact CG-O 3.39Å; R546-S551 PolarHBondContact NH1-O 2.88Å; C547-S551 WeakPolarHBondContact O-CA 3.46Å; C547-S551 PolarHBondContact O-N 2.87Å
552K85.6Confident84.7Confident145 Ų14561 Ų6163%0.6337%0.374SS*.  trans-64137.5177.3-64.3179.9-177.3178.40109.7R546 C547 C550R546-K552 VanDerWaalsContact CA-O 3.24Å; R546-K552 WeakPolarHBondContact CA-O 3.45Å; C547-K552 PolarHBondContact N-O 3.05Å; C550-K552 HydrophobicContact CB-CG 4.37Å; C550-K552 PolarHBondContact O-N 3.18Å
553A86.1Confident84.9Confident47 Ų4766.2 Ų66.239%0.38839%0.393SS..BIsolated β-bridgetrans-65.9140.316900000109.4F545 R546F545-A553 WeakPolarHBondContact O-CA 3.31Å; R546-A553 HydrophobicContact CG-CB 4.43Å
554L84.2Confident85Confident6 Ų670.1 Ų70.13%0.03140%0.399CS..  trans-109.525.4-175.8-53.5-178.5000112.2F545 C547 G556 V557 F559 I567 C569F545-L554 HydrophobicContact CD1-CB 3.88Å; F545-L554 HydrophobicContact CE1-CB 3.71Å; F545-L554 PolarHBondContact O-N 3.31Å; C547-L554 HydrophobicContact CB-CD1 4.06Å; C547-L554 HydrophobicContact CB-CD2 4.26Å; C547-L554 HydrophobicContact CB-CG 4.4Å; L554-G556 PolarHBondContact O-N 3.12Å; L554-V557 HydrophobicContact CB-CB 4.42Å; L554-V557 HydrophobicContact CD2-CG1 4.44Å; L554-V557 PolarHBondContact O-N 3.35Å; L554-V557 VanDerWaalsContact O-N 3.12Å; L554-F559 HydrophobicContact CB-CB 4.38Å; L554-F559 HydrophobicContact CD1-CB 3.69Å; L554-I567 HydrophobicContact CD1-CG2 3.8Å; L554-C569 HydrophobicContact CD1-CB 4.14Å; L554-C569 HydrophobicContact CD2-CB 3.56Å
555D81.6Confident84.8Confident98 Ų9871.1 Ų71.152%0.52441%0.406SS..THydrogen-bonded Turntrans-63.3124.2175.4-171.419.7000110.5V557D555-V557 PolarHBondContact O-N 2.89Å; D555-V557 VanDerWaalsContact O-N 3.14Å
556G76.9Confident84.8Confident82 Ų8274 Ų7485%0.84542%0.422SS*.THydrogen-bonded Turntrans66.10.8-172.200000116.5L554L554-G556 PolarHBondContact O-N 3.12Å
557V81.5Confident84.6Confident69 Ų6968.8 Ų68.842%0.41840%0.403SS..SBendtrans-102137-176.6179.60000110.1L554 D555 F559L554-V557 HydrophobicContact CB-CB 4.42Å; L554-V557 HydrophobicContact CD2-CG1 4.44Å; L554-V557 PolarHBondContact O-N 3.35Å; L554-V557 VanDerWaalsContact O-N 3.12Å; D555-V557 PolarHBondContact O-N 2.89Å; D555-V557 VanDerWaalsContact O-N 3.14Å; V557-F559 PolarHBondContact O-N 3.49Å
558P81.5Confident84.6Confident98 Ų9870 Ų7064%0.63641%0.407SS*.  trans-60.9128.3173.325.9-34.7000111.1V570P558-V570 HydrophobicContact CB-CG2 4.18Å; P558-V570 WeakPolarHBondContact O-CG2 3.44Å
559F86.4Confident84.7Confident82 Ų8266.4 Ų66.436%0.3639%0.386SS..EExtended strand (participates in β ladder)trans-126.9165.1-177.266-91.7000110.5A535 F545 L554 V557 V561 I567 Y568A535-F559 HydrophobicContact CB-CE2 3.86Å; A535-F559 HydrophobicContact CB-CZ 3.87Å; F545-F559 AromaticContact CE1-CD1 3.68Å; F545-F559 HydrophobicContact CE1-CD1 3.68Å; F545-F559 AromaticContact CE1-CE1 3.91Å; F545-F559 HydrophobicContact CE1-CE1 3.91Å; F545-F559 HydrophobicContact CE1-CG 4.07Å; F545-F559 HydrophobicContact CE1-CZ 4.48Å; F545-F559 HydrophobicContact CE2-CE2 4.49Å; F545-F559 AromaticContact CZ-CD1 3.56Å; F545-F559 HydrophobicContact CZ-CD1 3.56Å; F545-F559 AromaticContact CZ-CD2 3.79Å; F545-F559 HydrophobicContact CZ-CD2 3.79Å; F545-F559 AromaticContact CZ-CE1 3.56Å; F545-F559 HydrophobicContact CZ-CE1 3.56Å; F545-F559 AromaticContact CZ-CE2 3.8Å; F545-F559 HydrophobicContact CZ-CE2 3.8Å; F545-F559 AromaticContact CZ-CG 3.69Å; F545-F559 HydrophobicContact CZ-CG 3.69Å; F545-F559 AromaticContact CZ-CZ 3.68Å; F545-F559 HydrophobicContact CZ-CZ 3.68Å; L554-F559 HydrophobicContact CB-CB 4.38Å; L554-F559 HydrophobicContact CD1-CB 3.69Å; V557-F559 PolarHBondContact O-N 3.49Å; F559-V561 HydrophobicContact CD2-CG2 3.81Å; F559-V561 HydrophobicContact CE2-CG2 3.78Å; F559-I567 HydrophobicContact CB-CG2 4.47Å; F559-I567 HydrophobicContact CD2-CG2 4.39Å; F559-Y568 WeakPolarHBondContact CA-O 3.35Å
560T85.9Confident84.6Confident36 Ų3664.9 Ų64.922%0.22138%0.377CS..EExtended strand (participates in β ladder)trans-125.4154.3171.247.90000108.8Y568 V570 Y573T560-Y568 PolarHBondContact N-O 3.06Å; T560-Y568 PolarHBondContact O-N 3.1Å; T560-Y568 PolarHBondContact OG1-O 3.36Å; T560-V570 HydrophobicContact CG2-CG2 4.23Å; T560-Y573 HydrophobicContact CG2-CD1 4.2Å; T560-Y573 HydrophobicContact CG2-CG 4.23Å; T560-Y573 VanDerWaalsContact OG1-CB 3.25Å; T560-Y573 WeakPolarHBondContact OG1-CB 3.49Å; T560-Y573 WeakPolarHBondContact OG1-CD2 3.38Å
561V87.3Confident84.4Confident38 Ų3865.8 Ų65.823%0.2339%0.386CS..EExtended strand (participates in β ladder)trans-129.3129.8175.6-175.30000107.8V536 F559 N566 I567V536-V561 HydrophobicContact CG2-CB 3.75Å; V536-V561 HydrophobicContact CG2-CG1 3.83Å; V536-V561 HydrophobicContact CG2-CG2 3.91Å; F559-V561 HydrophobicContact CD2-CG2 3.81Å; F559-V561 HydrophobicContact CE2-CG2 3.78Å; V561-N566 WeakPolarHBondContact CA-O 3.27Å; V561-I567 HydrophobicContact CG2-CG1 4.27Å
562D84.9Confident84.4Confident33 Ų3362.8 Ų62.818%0.17636%0.364CS..  trans-83.6166.4-179173.244.4000112H564 S565 N566 Y568D562-H564 PolarHBondContact O-N 3.29Å; D562-H564 IonicContact OD2-CD2 3.18Å; D562-H564 PolarHBondContact OD2-CD2 2.96Å; D562-H564 VanDerWaalsContact OD2-CD2 3.25Å; D562-H564 IonicContact OD2-CG 2.84Å; D562-S565 WeakPolarHBondContact O-CA 3.39Å; D562-S565 PolarHBondContact O-N 3.43Å; D562-N566 HydrophobicContact CB-CB 4.48Å; D562-N566 PolarHBondContact N-O 3.45Å; D562-Y568 HydrophobicContact CB-CD2 4.18Å; D562-Y568 HydrophobicContact CB-CE2 3.63Å
563Q82.5Confident84.6Confident165 Ų16559.4 Ų59.477%0.77135%0.348SS*.THydrogen-bonded Turntrans-53.7-26.317870.8-1721.500113.4S565Q563-S565 VanDerWaalsContact C-N 3.27Å; Q563-S565 PolarHBondContact O-N 3.12Å
564H81Confident84.5Confident127 Ų12758.8 Ų58.859%0.58834%0.338SS*.THydrogen-bonded Turntrans-86.213.9176.3-59-62.1000113.9D562 N566D562-H564 PolarHBondContact O-N 3.29Å; D562-H564 IonicContact OD2-CD2 3.18Å; D562-H564 PolarHBondContact OD2-CD2 2.96Å; D562-H564 VanDerWaalsContact OD2-CD2 3.25Å; D562-H564 IonicContact OD2-CG 2.84Å; H564-N566 PolarHBondContact O-N 3.25Å
565S79.3Confident84.5Confident53 Ų5363.6 Ų63.637%0.37136%0.359SS..  trans59.813.6-172.3-56.30000115.5D562 Q563D562-S565 WeakPolarHBondContact O-CA 3.39Å; D562-S565 PolarHBondContact O-N 3.43Å; Q563-S565 VanDerWaalsContact C-N 3.27Å; Q563-S565 PolarHBondContact O-N 3.12Å
566N85.9Confident84.5Confident64 Ų6462.6 Ų62.634%0.34236%0.356SS..  trans-74.3131175.6-73.1-45.5000110.9V548 V561 D562 H564 Y568V548-N566 HydrophobicContact CG2-CB 4.27Å; V561-N566 WeakPolarHBondContact CA-O 3.27Å; D562-N566 HydrophobicContact CB-CB 4.48Å; D562-N566 PolarHBondContact N-O 3.45Å; H564-N566 PolarHBondContact O-N 3.25Å; N566-Y568 HydrophobicContact CB-CD2 4.43Å; N566-Y568 HydrophobicContact CB-CE2 3.57Å; N566-Y568 WeakPolarHBondContact O-CD2 3.39Å; N566-Y568 WeakPolarHBondContact O-CE2 3.43Å
567I86Confident84.8Confident8 Ų863.6 Ų63.64%0.04134%0.337CS..EExtended strand (participates in β ladder)trans-92.8129.2-177-53.7162.3000109.9Y540 F545 C547 V548 L554 F559 V561Y540-I567 HydrophobicContact CD1-CD1 4.09Å; Y540-I567 HydrophobicContact CE1-CD1 3.77Å; Y540-I567 HydrophobicContact CE2-CD1 4.27Å; Y540-I567 HydrophobicContact CG-CD1 4.47Å; F545-I567 HydrophobicContact CD2-CD1 3.71Å; F545-I567 HydrophobicContact CE2-CD1 3.65Å; F545-I567 HydrophobicContact CE2-CG1 4.35Å; F545-I567 HydrophobicContact CE2-CG2 4.15Å; F545-I567 HydrophobicContact CZ-CG2 4.14Å; C547-I567 WeakPolarHBondContact CA-O 3.24Å; V548-I567 PolarHBondContact N-O 2.89Å; L554-I567 HydrophobicContact CD1-CG2 3.8Å; F559-I567 HydrophobicContact CB-CG2 4.47Å; F559-I567 HydrophobicContact CD2-CG2 4.39Å; V561-I567 HydrophobicContact CG2-CG1 4.27Å
568Y88.5Confident84.9Confident29 Ų2961 Ų6111%0.11432%0.323CS..EExtended strand (participates in β ladder)trans-125.9144.8178.1-60.2-89.9000111.3V548 V549 F559 T560 D562 N566 Y573 F577V548-Y568 HydrophobicContact CB-CE1 4.49Å; V549-Y568 HydrophobicContact CG2-CD1 3.78Å; V549-Y568 HydrophobicContact CG2-CE1 3.76Å; F559-Y568 WeakPolarHBondContact CA-O 3.35Å; T560-Y568 PolarHBondContact N-O 3.06Å; T560-Y568 PolarHBondContact O-N 3.1Å; T560-Y568 PolarHBondContact OG1-O 3.36Å; D562-Y568 HydrophobicContact CB-CD2 4.18Å; D562-Y568 HydrophobicContact CB-CE2 3.63Å; N566-Y568 HydrophobicContact CB-CD2 4.43Å; N566-Y568 HydrophobicContact CB-CE2 3.57Å; N566-Y568 WeakPolarHBondContact O-CD2 3.39Å; N566-Y568 WeakPolarHBondContact O-CE2 3.43Å; Y568-Y573 HydrophobicContact CD2-CD2 4.22Å; Y568-Y573 HydrophobicContact CG-CD2 4.31Å; Y568-F577 HydrophobicContact CE2-CE2 4.45Å
569C89.9Confident85.2Confident15 Ų1558.3 Ų58.310%0.10131%0.306CS..EExtended strand (participates in β ladder)trans-73.8147.8164.789.50000109.1C547 L554 A571 D572 Y573C547-C569 HydrophobicContact CB-CB 4.19Å; C547-C569 PolarHBondContact SG-N 3.15Å; L554-C569 HydrophobicContact CD1-CB 4.14Å; L554-C569 HydrophobicContact CD2-CB 3.56Å; C569-A571 PolarHBondContact O-N 3.47Å; C569-A571 VanDerWaalsContact O-N 3.15Å; C569-D572 PolarHBondContact O-N 2.96Å; C569-D572 PolarHBondContact SG-N 2.87Å; C569-D572 VanDerWaalsContact SG-N 3.36Å; C569-D572 PolarHBondContact SG-OD2 2.92Å; C569-Y573 WeakPolarHBondContact O-CB 3.25Å; C569-Y573 PolarHBondContact O-N 3.43Å
570V85.8Confident85.3Confident53 Ų5360.9 Ų60.932%0.32132%0.317SS..Hα-helixtrans-54.4-37-178168.90000112.2P558 T560 N574P558-V570 HydrophobicContact CB-CG2 4.18Å; P558-V570 WeakPolarHBondContact O-CG2 3.44Å; T560-V570 HydrophobicContact CG2-CG2 4.23Å; V570-N574 VanDerWaalsContact O-CB 3.27Å; V570-N574 WeakPolarHBondContact O-CB 3.22Å; V570-N574 PolarHBondContact O-N 3.29Å; V570-N574 PolarHBondContact O-ND2 3.14Å; V570-N574 PolarHBondContact O-OD1 3.27Å
571A84.9Confident85.5Confident54 Ų5459.2 Ų59.245%0.44631%0.306SS..Hα-helixtrans-66.8-37.3179.400000113.3C569 K575C569-A571 PolarHBondContact O-N 3.47Å; C569-A571 VanDerWaalsContact O-N 3.15Å; A571-K575 WeakPolarHBondContact O-CD 3.5Å; A571-K575 WeakPolarHBondContact O-CE 2.9Å; A571-K575 WeakPolarHBondContact O-CG 3.41Å; A571-K575 PolarHBondContact O-N 3.48Å
572D87.5Confident85.6Confident16 Ų1659.2 Ų59.29%0.08631%0.31CS..Hα-helixtrans-84.5-36.7-179.8-61-31.7000111.5V549 C550 C569 N574 K575 T576V549-D572 HydrophobicContact CB-CB 4.06Å; V549-D572 HydrophobicContact CG1-CB 4.15Å; V549-D572 HydrophobicContact CG2-CB 4.45Å; C550-D572 VanDerWaalsContact CB-OD2 3.27Å; C550-D572 WeakPolarHBondContact CB-OD2 3.35Å; C550-D572 PolarHBondContact SG-OD2 3.39Å; C569-D572 PolarHBondContact O-N 2.96Å; C569-D572 PolarHBondContact SG-N 2.87Å; C569-D572 VanDerWaalsContact SG-N 3.36Å; C569-D572 PolarHBondContact SG-OD2 2.92Å; D572-N574 VanDerWaalsContact C-N 3.32Å; D572-N574 PolarHBondContact O-N 3.44Å; D572-K575 PolarHBondContact O-N 3.31Å; D572-K575 VanDerWaalsContact O-N 3.12Å; D572-K575 IonicContact OD1-NZ 3.25Å; D572-K575 PolarHBondContact OD1-NZ 3.47Å; D572-T576 PolarHBondContact O-N 2.85Å; D572-T576 PolarHBondContact O-OG1 2.95Å; D572-T576 VanDerWaalsContact O-OG1 3.1Å
573Y88.3Confident85.6Confident75 Ų7560.5 Ų60.529%0.29433%0.326SS..Hα-helixtrans-56.1-47.1170-175.8-90.9000111.1T560 Y568 C569 K575 T576 F577T560-Y573 HydrophobicContact CG2-CD1 4.2Å; T560-Y573 HydrophobicContact CG2-CG 4.23Å; T560-Y573 VanDerWaalsContact OG1-CB 3.25Å; T560-Y573 WeakPolarHBondContact OG1-CB 3.49Å; T560-Y573 WeakPolarHBondContact OG1-CD2 3.38Å; Y568-Y573 HydrophobicContact CD2-CD2 4.22Å; Y568-Y573 HydrophobicContact CG-CD2 4.31Å; C569-Y573 WeakPolarHBondContact O-CB 3.25Å; C569-Y573 PolarHBondContact O-N 3.43Å; Y573-K575 VanDerWaalsContact C-N 3.34Å; Y573-K575 PolarHBondContact O-N 2.96Å; Y573-T576 PolarHBondContact O-N 3.15Å; Y573-T576 PolarHBondContact O-OG1 3.2Å; Y573-F577 HydrophobicContact CD1-CD2 4.28Å; Y573-F577 AromaticContact CD2-CD2 3.38Å; Y573-F577 HydrophobicContact CD2-CD2 3.38Å; Y573-F577 AromaticContact CD2-CE2 3.62Å; Y573-F577 HydrophobicContact CD2-CE2 3.62Å; Y573-F577 HydrophobicContact CD2-CG 4.49Å; Y573-F577 HydrophobicContact CE1-CB 4.36Å; Y573-F577 HydrophobicContact CE1-CD2 4.32Å; Y573-F577 AromaticContact CE2-CD2 3.42Å; Y573-F577 HydrophobicContact CE2-CD2 3.42Å; Y573-F577 VanDerWaalsContact CE2-CD2 3.42Å; Y573-F577 AromaticContact CE2-CE2 3.71Å; Y573-F577 HydrophobicContact CE2-CE2 3.71Å; Y573-F577 HydrophobicContact CE2-CG 4.24Å; Y573-F577 AromaticContact CG-CD2 3.82Å; Y573-F577 HydrophobicContact CG-CD2 3.82Å; Y573-F577 HydrophobicContact CG-CE2 4.42Å; Y573-F577 AromaticContact CZ-CD2 3.91Å; Y573-F577 WeakPolarHBondContact O-CB 3.44Å; Y573-F577 WeakPolarHBondContact O-CD2 3.27Å; Y573-F577 PolarHBondContact O-N 2.91Å
574N85.2Confident85.9Confident33 Ų3354.9 Ų54.918%0.17630%0.304CS..Hα-helixtrans-64.7-36.6176.6-68.8-6.5000111.5V570 D572 T576 A578 L589V570-N574 VanDerWaalsContact O-CB 3.27Å; V570-N574 WeakPolarHBondContact O-CB 3.22Å; V570-N574 PolarHBondContact O-N 3.29Å; V570-N574 PolarHBondContact O-ND2 3.14Å; V570-N574 PolarHBondContact O-OD1 3.27Å; D572-N574 VanDerWaalsContact C-N 3.32Å; D572-N574 PolarHBondContact O-N 3.44Å; N574-T576 PolarHBondContact O-N 3.34Å; N574-A578 WeakPolarHBondContact O-CA 3.41Å; N574-A578 WeakPolarHBondContact O-CB 3.21Å; N574-A578 PolarHBondContact O-N 3.4Å; N574-L589 HydrophobicContact CB-CD2 3.69Å
575K83.2Confident86.2Confident108 Ų10854.6 Ų54.647%0.4731%0.306SS..Hα-helixtrans-66.2-35.9175.2-71.3164.7-157.9160.40113.4A571 D572 Y573 L589A571-K575 WeakPolarHBondContact O-CD 3.5Å; A571-K575 WeakPolarHBondContact O-CE 2.9Å; A571-K575 WeakPolarHBondContact O-CG 3.41Å; A571-K575 PolarHBondContact O-N 3.48Å; D572-K575 PolarHBondContact O-N 3.31Å; D572-K575 VanDerWaalsContact O-N 3.12Å; D572-K575 IonicContact OD1-NZ 3.25Å; D572-K575 PolarHBondContact OD1-NZ 3.47Å; Y573-K575 VanDerWaalsContact C-N 3.34Å; Y573-K575 PolarHBondContact O-N 2.96Å; K575-L589 HydrophobicContact CG-CD1 4.17Å; K575-L589 HydrophobicContact CG-CD2 4.26Å
576T81.3Confident86.5Confident76 Ų7657.8 Ų57.847%0.46632%0.315SS..Hα-helixtrans-84.8-33.7-177.852.40000113.2D572 Y573 N574D572-T576 PolarHBondContact O-N 2.85Å; D572-T576 PolarHBondContact O-OG1 2.95Å; D572-T576 VanDerWaalsContact O-OG1 3.1Å; Y573-T576 PolarHBondContact O-N 3.15Å; Y573-T576 PolarHBondContact O-OG1 3.2Å; N574-T576 PolarHBondContact O-N 3.34Å
577F83.1Confident86.6Confident103 Ų10356.2 Ų56.245%0.45231%0.309SS..Hα-helixtrans-116.3-5.1-171-57.7-71.5000115.5Y568 Y573Y568-F577 HydrophobicContact CE2-CE2 4.45Å; Y573-F577 HydrophobicContact CD1-CD2 4.28Å; Y573-F577 AromaticContact CD2-CD2 3.38Å; Y573-F577 HydrophobicContact CD2-CD2 3.38Å; Y573-F577 AromaticContact CD2-CE2 3.62Å; Y573-F577 HydrophobicContact CD2-CE2 3.62Å; Y573-F577 HydrophobicContact CD2-CG 4.49Å; Y573-F577 HydrophobicContact CE1-CB 4.36Å; Y573-F577 HydrophobicContact CE1-CD2 4.32Å; Y573-F577 AromaticContact CE2-CD2 3.42Å; Y573-F577 HydrophobicContact CE2-CD2 3.42Å; Y573-F577 VanDerWaalsContact CE2-CD2 3.42Å; Y573-F577 AromaticContact CE2-CE2 3.71Å; Y573-F577 HydrophobicContact CE2-CE2 3.71Å; Y573-F577 HydrophobicContact CE2-CG 4.24Å; Y573-F577 AromaticContact CG-CD2 3.82Å; Y573-F577 HydrophobicContact CG-CD2 3.82Å; Y573-F577 HydrophobicContact CG-CE2 4.42Å; Y573-F577 AromaticContact CZ-CD2 3.91Å; Y573-F577 WeakPolarHBondContact O-CB 3.44Å; Y573-F577 WeakPolarHBondContact O-CD2 3.27Å; Y573-F577 PolarHBondContact O-N 2.91Å
578A85.4Confident86.6Confident15 Ų1555.9 Ų55.912%0.12431%0.307CS..SBendtrans-66.6148.6174.100000112N574 K580 P587 L589N574-A578 WeakPolarHBondContact O-CA 3.41Å; N574-A578 WeakPolarHBondContact O-CB 3.21Å; N574-A578 PolarHBondContact O-N 3.4Å; A578-K580 PolarHBondContact O-N 2.93Å; A578-P587 HydrophobicContact CB-CB 4.17Å; A578-L589 HydrophobicContact CB-CD2 4.48Å
579P86.6Confident86.3Confident42 Ų4258 Ų5827%0.27332%0.32SS..PPolyproline II helixtrans-58.2139.1170.425.9-34.3000110.2I588 D606P579-I588 WeakPolarHBondContact O-CG1 3.17Å; P579-I588 PolarHBondContact O-N 2.78Å; P579-D606 HydrophobicContact CB-CB 4.08Å; P579-D606 WeakPolarHBondContact CB-OD2 3.33Å
580K89.1Confident85.7Confident136 Ų13659.1 Ų59.159%0.59133%0.327SS*.BIsolated β-bridgetrans-91.8135.9176.4-64.4177.9-176.6178.50109.3A578 A582 Q586A578-K580 PolarHBondContact O-N 2.93Å; K580-A582 PolarHBondContact O-N 2.87Å; K580-Q586 WeakPolarHBondContact CA-O 3.5Å
581C90.7Very high85.2Confident0 Ų061.4 Ų61.40%034%0.341CS..PPolyproline II helixtrans-65129.7176168.20000110.7A583 L585 Q586 I588 D606 H608C581-A583 PolarHBondContact O-N 2.88Å; C581-A583 VanDerWaalsContact O-N 3.15Å; C581-A583 PolarHBondContact SG-N 2.7Å; C581-A583 VanDerWaalsContact SG-N 3.41Å; C581-L585 WeakPolarHBondContact O-CA 3.3Å; C581-L585 PolarHBondContact O-N 3.36Å; C581-Q586 PolarHBondContact N-O 2.72Å; C581-I588 HydrophobicContact CB-CD1 4.2Å; C581-I588 HydrophobicContact CB-CG1 4.09Å; C581-D606 CarbonylContact C-O 3.59Å; C581-D606 VanDerWaalsContact CA-O 3.3Å; C581-D606 WeakPolarHBondContact CA-O 3.39Å; C581-H608 VanDerWaalsContact CB-CE1 3.49Å; C581-H608 WeakPolarHBondContact CB-CE1 3.48Å; C581-H608 WeakPolarHBondContact CB-ND1 3.5Å
582A88Confident84.3Confident38 Ų3868.4 Ų68.431%0.31437%0.365SS..THydrogen-bonded Turntrans-67.7-13.7-177.200000114.8K580 K605 D606 Y607K580-A582 PolarHBondContact O-N 2.87Å; A582-K605 HydrophobicContact CB-CB 3.84Å; A582-K605 HydrophobicContact CB-CD 4.03Å; A582-K605 HydrophobicContact CB-CG 4.07Å; A582-D606 PolarHBondContact N-O 3.23Å; A582-Y607 HydrophobicContact CB-CD1 4.45Å; A582-Y607 HydrophobicContact CB-CE1 3.87Å
583A86.6Confident83.3Confident60 Ų6071.9 Ų71.950%0.49640%0.404SS..THydrogen-bonded Turntrans-96.1-40.9179.300000113.8C581 Y607 C611C581-A583 PolarHBondContact O-N 2.88Å; C581-A583 VanDerWaalsContact O-N 3.15Å; C581-A583 PolarHBondContact SG-N 2.7Å; C581-A583 VanDerWaalsContact SG-N 3.41Å; A583-Y607 HydrophobicContact CB-CD1 4.13Å; A583-Y607 HydrophobicContact CB-CE1 4.29Å; A583-C611 HydrophobicContact CB-CB 4.12Å
584C88.4Confident82.4Confident48 Ų4870.5 Ų70.532%0.32441%0.406SS..THydrogen-bonded Turntrans-111-4.3-177.7730000114.3Q586 H608C584-Q586 PolarHBondContact O-N 3.36Å; C584-Q586 PolarHBondContact O-NE2 3.4Å; C584-H608 PolarHBondContact SG-CE1 3.49Å; C584-H608 PolarHBondContact SG-ND1 3.41Å; C584-H608 VanDerWaalsContact SG-ND1 3.36Å
585L86.3Confident81.5Confident121 Ų12178.3 Ų78.363%0.63444%0.441SS*.  trans59.92.2-179.6-52.6179000116.1C581C581-L585 WeakPolarHBondContact O-CA 3.3Å; C581-L585 PolarHBondContact O-N 3.36Å
586Q86.7Confident81Confident119 Ų11979.9 Ų79.956%0.55645%0.45SS*.  trans-76.8148.7175-59.2-50.1-5600111.8K580 C581 C584K580-Q586 WeakPolarHBondContact CA-O 3.5Å; C581-Q586 PolarHBondContact N-O 2.72Å; C584-Q586 PolarHBondContact O-N 3.36Å; C584-Q586 PolarHBondContact O-NE2 3.4Å
587P86.8Confident80.9Confident31 Ų3179.2 Ų79.220%0.20144%0.443CS..BIsolated β-bridgetrans-62.6140.3172.827.1-34.3000111.1A578 L589 H608A578-P587 HydrophobicContact CB-CB 4.17Å; P587-L589 HydrophobicContact CB-CD2 4.34Å; P587-L589 HydrophobicContact CB-CG 4.44Å; P587-L589 HydrophobicContact CG-CG 4.4Å; P587-L589 PolarHBondContact O-N 3.2Å; P587-H608 PolarHBondContact O-NE2 3.25Å
588I85.9Confident80.9Confident2 Ų280.2 Ų80.21%0.0145%0.452CS..  trans-86.789.6174.3-47.7174.9000108.3P579 C581 I597 R599 D606P579-I588 WeakPolarHBondContact O-CG1 3.17Å; P579-I588 PolarHBondContact O-N 2.78Å; C581-I588 HydrophobicContact CB-CD1 4.2Å; C581-I588 HydrophobicContact CB-CG1 4.09Å; I588-I597 HydrophobicContact CB-CG2 4.45Å; I588-I597 HydrophobicContact CG2-CG2 3.93Å; I588-I597 VanDerWaalsContact O-CG2 3.3Å; I588-I597 WeakPolarHBondContact O-CG2 3.3Å; I588-R599 HydrophobicContact CD1-CB 3.79Å; I588-R599 HydrophobicContact CG2-CB 4.01Å; I588-D606 HydrophobicContact CD1-CB 3.78Å
589L83.1Confident81Confident72 Ų7285.1 Ų85.138%0.37747%0.468SS..PPolyproline II helixtrans-81.2152.3176-59.9179.1000110.9N574 K575 A578 P587N574-L589 HydrophobicContact CB-CD2 3.69Å; K575-L589 HydrophobicContact CG-CD1 4.17Å; K575-L589 HydrophobicContact CG-CD2 4.26Å; A578-L589 HydrophobicContact CB-CD2 4.48Å; P587-L589 HydrophobicContact CB-CD2 4.34Å; P587-L589 HydrophobicContact CB-CG 4.44Å; P587-L589 HydrophobicContact CG-CG 4.4Å; P587-L589 PolarHBondContact O-N 3.2Å
590P77.8Confident81.1Confident39 Ų3984.9 Ų84.925%0.25347%0.465SS..PPolyproline II helixtrans-66.1141.9167.527.1-30.2000110.4S594 I597P590-S594 WeakPolarHBondContact CB-O 3.44Å; P590-I597 HydrophobicContact CB-CG1 3.91Å; P590-I597 HydrophobicContact CG-CG1 4.13Å
591T75.5Confident81.1Confident101 Ų10182.6 Ų82.662%0.6246%0.463SS*.PPolyproline II helixtrans-66.5147.3177.3-49.10000111G593 S594T591-G593 PolarHBondContact O-N 2.98Å; T591-S594 WeakPolarHBondContact CB-OG 3.43Å; T591-S594 PolarHBondContact N-OG 2.82Å; T591-S594 PolarHBondContact O-N 2.89Å; T591-S594 PolarHBondContact O-OG 3.06Å; T591-S594 VanDerWaalsContact O-OG 3.06Å
592E65.8Low80.8Confident202 Ų20283.3 Ų83.394%0.94447%0.468SS*.THydrogen-bonded Turntrans-6198.2-178.8-61.4-170.3166.400111.7
593G65.1Low80.6Confident89 Ų8985 Ų8592%0.91847%0.47SS*.THydrogen-bonded Turntrans120.7-11.8-17800000115.2T591T591-G593 PolarHBondContact O-N 2.98Å
594S70.3Confident80.5Confident46 Ų4690 Ų9032%0.32249%0.489SS..  trans-107.8128.117356.20000111.2P590 T591 E596P590-S594 WeakPolarHBondContact CB-O 3.44Å; T591-S594 WeakPolarHBondContact CB-OG 3.43Å; T591-S594 PolarHBondContact N-OG 2.82Å; T591-S594 PolarHBondContact O-N 2.89Å; T591-S594 PolarHBondContact O-OG 3.06Å; T591-S594 VanDerWaalsContact O-OG 3.06Å; S594-E596 VanDerWaalsContact C-N 3.29Å
595E65.6Low80.5Confident197 Ų19792 Ų9292%0.92149%0.492SS*.SBendtrans-78.4-11.6173.963-170.9145.400113.7
596E74.1Confident80.7Confident141 Ų14188 Ų8866%0.65947%0.471SS*.SBendtrans-92.9133.1177.5-60.5-169.4153.900112.3S594 L598S594-E596 VanDerWaalsContact C-N 3.29Å; E596-L598 PolarHBondContact O-N 3.38Å
597I78.1Confident80.9Confident61 Ų6182.9 Ų82.931%0.31345%0.446SS..  trans-86.799.8174.1-56.3179.1000109.4I588 P590 R599I588-I597 HydrophobicContact CB-CG2 4.45Å; I588-I597 HydrophobicContact CG2-CG2 3.93Å; I588-I597 VanDerWaalsContact O-CG2 3.3Å; I588-I597 WeakPolarHBondContact O-CG2 3.3Å; P590-I597 HydrophobicContact CB-CG1 3.91Å; P590-I597 HydrophobicContact CG-CG1 4.13Å; I597-R599 PolarHBondContact O-N 3.12Å
598L84.1Confident81Confident124 Ų12483.4 Ų83.465%0.64945%0.446SS*.  trans-74.5111.9176.2-61.8-179.6000111E596E596-L598 PolarHBondContact O-N 3.38Å
599R87.8Confident81Confident118 Ų11889.4 Ų89.445%0.44547%0.472SS..  trans-142148.6175.974-168.9-161.7-95.75.1111.7I588 I597 V601 D606I588-R599 HydrophobicContact CD1-CB 3.79Å; I588-R599 HydrophobicContact CG2-CB 4.01Å; I597-R599 PolarHBondContact O-N 3.12Å; R599-V601 HydrophobicContact CG-CG2 4.38Å; R599-D606 WeakPolarHBondContact CD-OD1 3.45Å; R599-D606 IonicContact CZ-OD1 3.22Å; R599-D606 IonicContact NE-OD1 2.87Å; R599-D606 PolarHBondContact NE-OD1 3.32Å; R599-D606 IonicContact NH2-OD1 2.69Å
600V88.4Confident81.2Confident37 Ų3793.7 Ų93.722%0.22449%0.49CS..EExtended strand (participates in β ladder)trans-95.9128.8172.6-172.60000108.6D606 Y607 F609 Y612V600-D606 CarbonylContact O-C 3.27Å; V600-D606 WeakPolarHBondContact O-CA 3.29Å; V600-Y607 PolarHBondContact N-O 2.97Å; V600-Y607 PolarHBondContact O-N 3.37Å; V600-F609 HydrophobicContact CG2-CD2 4.44Å; V600-Y612 HydrophobicContact CB-CD1 4.3Å; V600-Y612 HydrophobicContact CB-CD2 4.24Å; V600-Y612 HydrophobicContact CB-CG 4.07Å; V600-Y612 HydrophobicContact CG1-CD1 3.73Å; V600-Y612 HydrophobicContact CG1-CD2 3.9Å; V600-Y612 HydrophobicContact CG1-CE1 3.65Å; V600-Y612 HydrophobicContact CG1-CE2 3.84Å; V600-Y612 HydrophobicContact CG1-CG 3.85Å; V600-Y612 HydrophobicContact CG2-CD1 4.22Å; V600-Y612 HydrophobicContact CG2-CG 4.19Å
601V88.7Confident81.7Confident89 Ų8993 Ų9354%0.53949%0.486SS..EExtended strand (participates in β ladder)trans-106.3120.8176.4-172.30000108.6R599 K605R599-V601 HydrophobicContact CG-CG2 4.38Å; V601-K605 WeakPolarHBondContact CA-O 3.32Å
602S84.4Confident82.4Confident15 Ų1588.7 Ų88.711%0.10546%0.459CS..EExtended strand (participates in β ladder)trans-147.8139179-168.10000110N604 K605 Y612S602-N604 PolarHBondContact O-N 3.41Å; S602-N604 VanDerWaalsContact O-N 3.16Å; S602-K605 PolarHBondContact N-O 2.95Å; S602-K605 WeakPolarHBondContact O-CA 3.49Å; S602-K605 WeakPolarHBondContact O-CB 3.07Å; S602-K605 PolarHBondContact O-N 2.85Å; S602-Y612 WeakPolarHBondContact CB-OH 3.49Å; S602-Y612 PolarHBondContact OG-OH 2.87Å
603M84.1Confident83.6Confident73 Ų7382.5 Ų82.536%0.3643%0.43SS..THydrogen-bonded Turntrans50.437-177.1-51.1-162.67600115K605 P631M603-K605 PolarHBondContact O-N 3.16Å; M603-P631 HydrophobicContact CE-CB 3.72Å; M603-P631 HydrophobicContact CG-CB 3.65Å; M603-P631 HydrophobicContact SD-CB 3.33Å; M603-P631 WeakPolarHBondContact SD-CB 3.36Å
604N83.9Confident84.8Confident166 Ų16678.3 Ų78.389%0.88839%0.386SS*.THydrogen-bonded Turntrans58.623.3-173.7-53.3-27.2000114.6S602S602-N604 PolarHBondContact O-N 3.41Å; S602-N604 VanDerWaalsContact O-N 3.16Å
605K88.6Confident85.6Confident90 Ų9080.6 Ų80.639%0.39139%0.392SS..EExtended strand (participates in β ladder)trans-118.2142.6173.5-66.5164.1-178-79.90109.4A582 V601 S602 M603 Y607A582-K605 HydrophobicContact CB-CB 3.84Å; A582-K605 HydrophobicContact CB-CD 4.03Å; A582-K605 HydrophobicContact CB-CG 4.07Å; V601-K605 WeakPolarHBondContact CA-O 3.32Å; S602-K605 PolarHBondContact N-O 2.95Å; S602-K605 WeakPolarHBondContact O-CA 3.49Å; S602-K605 WeakPolarHBondContact O-CB 3.07Å; S602-K605 PolarHBondContact O-N 2.85Å; M603-K605 PolarHBondContact O-N 3.16Å; K605-Y607 HydrophobicContact CB-CD2 4.44Å; K605-Y607 HydrophobicContact CB-CE2 3.57Å; K605-Y607 VanDerWaalsContact CD-OH 3.29Å; K605-Y607 WeakPolarHBondContact CD-OH 3.45Å
606D90.4Very high86.5Confident35 Ų3575.6 Ų75.619%0.18737%0.368CS..EExtended strand (participates in β ladder)trans-91.9146.9172.4-58.6-84.4000111P579 C581 A582 I588 R599 V600P579-D606 HydrophobicContact CB-CB 4.08Å; P579-D606 WeakPolarHBondContact CB-OD2 3.33Å; C581-D606 CarbonylContact C-O 3.59Å; C581-D606 VanDerWaalsContact CA-O 3.3Å; C581-D606 WeakPolarHBondContact CA-O 3.39Å; A582-D606 PolarHBondContact N-O 3.23Å; I588-D606 HydrophobicContact CD1-CB 3.78Å; R599-D606 WeakPolarHBondContact CD-OD1 3.45Å; R599-D606 IonicContact CZ-OD1 3.22Å; R599-D606 IonicContact NE-OD1 2.87Å; R599-D606 PolarHBondContact NE-OD1 3.32Å; R599-D606 IonicContact NH2-OD1 2.69Å; V600-D606 CarbonylContact O-C 3.27Å; V600-D606 WeakPolarHBondContact O-CA 3.29Å
607Y89.9Confident87.2Confident12 Ų1272.1 Ų72.15%0.04736%0.359CS..EExtended strand (participates in β ladder)trans-139.1144177.5-58.4-96.8000111.8A582 A583 V600 K605 Y612 L636A582-Y607 HydrophobicContact CB-CD1 4.45Å; A582-Y607 HydrophobicContact CB-CE1 3.87Å; A583-Y607 HydrophobicContact CB-CD1 4.13Å; A583-Y607 HydrophobicContact CB-CE1 4.29Å; V600-Y607 PolarHBondContact N-O 2.97Å; V600-Y607 PolarHBondContact O-N 3.37Å; K605-Y607 HydrophobicContact CB-CD2 4.44Å; K605-Y607 HydrophobicContact CB-CE2 3.57Å; K605-Y607 VanDerWaalsContact CD-OH 3.29Å; K605-Y607 WeakPolarHBondContact CD-OH 3.45Å; Y607-Y612 HydrophobicContact CD2-CD2 4.09Å; Y607-Y612 HydrophobicContact CD2-CE2 4.34Å; Y607-Y612 HydrophobicContact CG-CD2 4.07Å; Y607-L636 HydrophobicContact CD1-CD1 4.25Å; Y607-L636 HydrophobicContact CE1-CD1 3.73Å; Y607-L636 HydrophobicContact CE2-CD1 4.17Å
608H89.8Confident87.5Confident43 Ų4371.7 Ų71.720%0.19937%0.37CS..  trans-62.8150160.5-58.892.3000109.5C581 C584 P587 E610 C611 Y612C581-H608 VanDerWaalsContact CB-CE1 3.49Å; C581-H608 WeakPolarHBondContact CB-CE1 3.48Å; C581-H608 WeakPolarHBondContact CB-ND1 3.5Å; C584-H608 PolarHBondContact SG-CE1 3.49Å; C584-H608 PolarHBondContact SG-ND1 3.41Å; C584-H608 VanDerWaalsContact SG-ND1 3.36Å; P587-H608 PolarHBondContact O-NE2 3.25Å; H608-E610 VanDerWaalsContact C-N 3.27Å; H608-E610 PolarHBondContact O-N 3.12Å; H608-C611 HydrophobicContact CB-CB 4.1Å; H608-C611 PolarHBondContact O-N 3.43Å; H608-Y612 PolarHBondContact O-N 3.03Å
609F86.5Confident87.7Confident127 Ų12770.2 Ų70.256%0.55736%0.358SS*.SBendtrans-55.9-39.4179.3-179.3-100.9000113.2V600 Y612 Q620V600-F609 HydrophobicContact CG2-CD2 4.44Å; F609-Y612 PolarHBondContact O-N 3.37Å; F609-Q620 VanDerWaalsContact CE1-NE2 3.32Å; F609-Q620 PolarHBondContact O-NE2 3.12Å
610E86.4Confident87.8Confident162 Ų16268.7 Ų68.776%0.75736%0.356SS*.THydrogen-bonded Turntrans-70.2-33.6176.8-67159.2-159.400112.7H608 Y612H608-E610 VanDerWaalsContact C-N 3.27Å; H608-E610 PolarHBondContact O-N 3.12Å; E610-Y612 PolarHBondContact O-N 3.11Å
611C88.3Confident87.8Confident25 Ų2567 Ų6717%0.16935%0.346CS..THydrogen-bonded Turntrans-79-3178.1-68.80000113.3A583 H608 H613A583-C611 HydrophobicContact CB-CB 4.12Å; H608-C611 HydrophobicContact CB-CB 4.1Å; H608-C611 PolarHBondContact O-N 3.43Å; C611-H613 PolarHBondContact O-N 2.87Å; C611-H613 PolarHBondContact O-ND1 2.69Å
612Y90.1Very high87.6Confident10 Ų1064.3 Ų64.34%0.03933%0.331CS..  trans-92.278.3-177.9-164.1-118.6000111.7V600 S602 Y607 H608 F609 E610 Q620 L621 C629 L636V600-Y612 HydrophobicContact CB-CD1 4.3Å; V600-Y612 HydrophobicContact CB-CD2 4.24Å; V600-Y612 HydrophobicContact CB-CG 4.07Å; V600-Y612 HydrophobicContact CG1-CD1 3.73Å; V600-Y612 HydrophobicContact CG1-CD2 3.9Å; V600-Y612 HydrophobicContact CG1-CE1 3.65Å; V600-Y612 HydrophobicContact CG1-CE2 3.84Å; V600-Y612 HydrophobicContact CG1-CG 3.85Å; V600-Y612 HydrophobicContact CG2-CD1 4.22Å; V600-Y612 HydrophobicContact CG2-CG 4.19Å; S602-Y612 WeakPolarHBondContact CB-OH 3.49Å; S602-Y612 PolarHBondContact OG-OH 2.87Å; Y607-Y612 HydrophobicContact CD2-CD2 4.09Å; Y607-Y612 HydrophobicContact CD2-CE2 4.34Å; Y607-Y612 HydrophobicContact CG-CD2 4.07Å; H608-Y612 PolarHBondContact O-N 3.03Å; F609-Y612 PolarHBondContact O-N 3.37Å; E610-Y612 PolarHBondContact O-N 3.11Å; Y612-Q620 WeakPolarHBondContact O-CG 3.34Å; Y612-L621 HydrophobicContact CD1-CB 3.63Å; Y612-L621 WeakPolarHBondContact CD1-O 3.48Å; Y612-L621 HydrophobicContact CE1-CB 3.5Å; Y612-L621 VanDerWaalsContact CE1-CB 3.5Å; Y612-L621 HydrophobicContact CG-CB 4.44Å; Y612-L621 PolarHBondContact O-N 3.4Å; Y612-C629 VanDerWaalsContact OH-CB 3.23Å; Y612-C629 WeakPolarHBondContact OH-CB 3.34Å; Y612-C629 PolarHBondContact OH-SG 3.09Å; Y612-L636 HydrophobicContact CD2-CD1 3.7Å; Y612-L636 HydrophobicContact CE2-CD1 3.66Å; Y612-L636 HydrophobicContact CE2-CD2 3.81Å; Y612-L636 HydrophobicContact CE2-CG 4.4Å
613H90.3Very high87.5Confident73 Ų7371 Ų7134%0.33837%0.365SS..BIsolated β-bridgetrans-128.3162.6-178.654.8-101000112.7C611 K619C611-H613 PolarHBondContact O-N 2.87Å; C611-H613 PolarHBondContact O-ND1 2.69Å; H613-K619 WeakPolarHBondContact CA-O 3.23Å
614C90.6Very high87.5Confident0 Ų074.8 Ų74.80%038%0.38CS..  trans-69.3126.5171.4-178.70000110.4E616 C617 G618 K619 L621 L636 C638 C641C614-E616 VanDerWaalsContact C-N 3.26Å; C614-E616 PolarHBondContact O-N 3.42Å; C614-C617 PolarHBondContact SG-SG 2.96Å; C614-G618 WeakPolarHBondContact O-CA 3.35Å; C614-G618 PolarHBondContact O-N 3.26Å; C614-K619 HydrophobicContact CB-CB 4.43Å; C614-K619 PolarHBondContact N-O 3.24Å; C614-L621 HydrophobicContact CB-CD2 4.3Å; C614-L636 WeakPolarHBondContact CA-O 3.44Å; C614-C638 HydrophobicContact CB-CB 4.15Å; C614-C638 PolarHBondContact SG-N 3.27Å; C614-C641 VanDerWaalsContact SG-SG 3.67Å
615E86.6Confident87Confident94 Ų9472.5 Ų72.544%0.43937%0.374SS..THydrogen-bonded Turntrans-65.3-24.8-176.1-71.1170.1-137.700113.9H635 L636E615-H635 VanDerWaalsContact OE1-CA 3.32Å; E615-H635 WeakPolarHBondContact OE1-CA 3.45Å; E615-H635 IonicContact OE2-CE1 3.82Å; E615-H635 IonicContact OE2-CG 3.64Å; E615-H635 IonicContact OE2-ND1 2.89Å; E615-H635 PolarHBondContact OE2-ND1 3.16Å; E615-L636 HydrophobicContact CG-CB 4.5Å; E615-L636 PolarHBondContact N-O 3.12Å; E615-L636 PolarHBondContact OE1-N 3.23Å
616E85.8Confident86.3Confident92 Ų9270.7 Ų70.743%0.4338%0.381SS..THydrogen-bonded Turntrans-91.3-32.2-179-62.6-16614400114.6C614 L637 C641 R645C614-E616 VanDerWaalsContact C-N 3.26Å; C614-E616 PolarHBondContact O-N 3.42Å; E616-L637 HydrophobicContact CG-CD2 3.97Å; E616-C641 HydrophobicContact CB-CB 4.38Å; E616-C641 WeakPolarHBondContact OE2-CB 3.36Å; E616-C641 PolarHBondContact OE2-SG 3.13Å; E616-C641 VanDerWaalsContact OE2-SG 3.38Å; E616-R645 VanDerWaalsContact CG-NH2 3.34Å; E616-R645 IonicContact OE1-CZ 2.7Å; E616-R645 VanDerWaalsContact OE1-CZ 3.22Å; E616-R645 IonicContact OE1-NE 3.76Å; E616-R645 PolarHBondContact OE1-NE 3.47Å; E616-R645 IonicContact OE1-NH2 3.69Å; E616-R645 PolarHBondContact OE1-NH2 3.21Å
617C88.9Confident85.9Confident68 Ų6870.3 Ų70.346%0.45938%0.381SS..THydrogen-bonded Turntrans-128.27.3-170.767.60000114.2C614 K619 C638C614-C617 PolarHBondContact SG-SG 2.96Å; C617-K619 PolarHBondContact O-N 3.42Å; C617-C638 VanDerWaalsContact SG-SG 3.67Å
618G84.9Confident85.6Confident52 Ų5274.1 Ų74.154%0.53640%0.399SS..  trans63.7-1.3177.900000115.4C614 Q620C614-G618 WeakPolarHBondContact O-CA 3.35Å; C614-G618 PolarHBondContact O-N 3.26Å; G618-Q620 PolarHBondContact O-N 3.33Å
619K87.6Confident85.4Confident93 Ų9373.9 Ų73.940%0.40440%0.402SS..PPolyproline II helixtrans-64.4119.6-176.4-173.1-178.2-177-176.50110.3H613 C614 C617 L621 G626 S627H613-K619 WeakPolarHBondContact CA-O 3.23Å; C614-K619 HydrophobicContact CB-CB 4.43Å; C614-K619 PolarHBondContact N-O 3.24Å; C617-K619 PolarHBondContact O-N 3.42Å; K619-L621 PolarHBondContact O-N 2.89Å; K619-G626 PolarHBondContact NZ-O 3.5Å; K619-S627 VanDerWaalsContact CE-OG 3.26Å; K619-S627 WeakPolarHBondContact CE-OG 3.39Å; K619-S627 PolarHBondContact NZ-OG 3.24Å
620Q89.8Confident85.4Confident87 Ų8770.8 Ų70.841%0.40739%0.388SS..BIsolated β-bridgetrans-59.7129.3176-161.6177.422.100110.8F609 Y612 G618F609-Q620 VanDerWaalsContact CE1-NE2 3.32Å; F609-Q620 PolarHBondContact O-NE2 3.12Å; Y612-Q620 WeakPolarHBondContact O-CG 3.34Å; G618-Q620 PolarHBondContact O-N 3.33Å
621L87.7Confident85.3Confident2 Ų266.2 Ų66.21%0.0137%0.373CS..PPolyproline II helixtrans-93.1151.2-175.7-61.5174000110.3Y612 C614 K619 S627 C629 L636 C638Y612-L621 HydrophobicContact CD1-CB 3.63Å; Y612-L621 WeakPolarHBondContact CD1-O 3.48Å; Y612-L621 HydrophobicContact CE1-CB 3.5Å; Y612-L621 VanDerWaalsContact CE1-CB 3.5Å; Y612-L621 HydrophobicContact CG-CB 4.44Å; Y612-L621 PolarHBondContact O-N 3.4Å; C614-L621 HydrophobicContact CB-CD2 4.3Å; K619-L621 PolarHBondContact O-N 2.89Å; L621-S627 CarbonylContact C-O 3.53Å; L621-S627 VanDerWaalsContact CA-O 3.25Å; L621-S627 WeakPolarHBondContact CA-O 3.12Å; L621-S627 WeakPolarHBondContact CD2-O 3.44Å; L621-C629 HydrophobicContact CD1-CB 3.96Å; L621-L636 HydrophobicContact CD1-CB 4.04Å; L621-C638 HydrophobicContact CD2-CB 3.79Å
622S85.8Confident85.1Confident32 Ų3266.8 Ų66.822%0.22437%0.374CS..  trans-167.6167175.856.60000111K624 S627 Q628S622-K624 PolarHBondContact O-N 2.89Å; S622-S627 PolarHBondContact N-O 3.26Å; S622-S627 CarbonylContact O-C 3.59Å; S622-S627 VanDerWaalsContact O-C 3.27Å; S622-S627 VanDerWaalsContact O-O 3.08Å; S622-Q628 WeakPolarHBondContact O-CA 3.45Å; S622-Q628 PolarHBondContact O-N 3.2Å
623D82.2Confident84.7Confident155 Ų15572.5 Ų72.583%0.82941%0.405SS*.SBendtrans-65-2.6177.3-55.7-42.1000114.5
624K83.2Confident84.3Confident153 Ų15372.5 Ų72.567%0.66541%0.413SS*.SBendtrans-71.1134.6177.7-63.5179.1-177.5174.70110.3S622 G626 S627 Q628S622-K624 PolarHBondContact O-N 2.89Å; K624-G626 PolarHBondContact O-N 2.98Å; K624-S627 PolarHBondContact O-N 3.12Å; K624-Q628 WeakPolarHBondContact O-CG 3.33Å; K624-Q628 PolarHBondContact O-N 3.38Å
625P72.8Confident84Confident118 Ų11875.6 Ų75.677%0.76643%0.428SS*.THydrogen-bonded Turntrans-56.2133.3177.824.6-34.1000110.6
626G74.9Confident84Confident52 Ų5271.3 Ų71.354%0.53641%0.408SS..THydrogen-bonded Turntrans87.9-10.6-174.800000115.9K619 K624K619-G626 PolarHBondContact NZ-O 3.5Å; K624-G626 PolarHBondContact O-N 2.98Å
627S81.3Confident84.2Confident26 Ų2667 Ų6718%0.18239%0.387CS..SBendtrans-122.414.1169.6-67.20000113.1K619 L621 S622 K624K619-S627 VanDerWaalsContact CE-OG 3.26Å; K619-S627 WeakPolarHBondContact CE-OG 3.39Å; K619-S627 PolarHBondContact NZ-OG 3.24Å; L621-S627 CarbonylContact C-O 3.53Å; L621-S627 VanDerWaalsContact CA-O 3.25Å; L621-S627 WeakPolarHBondContact CA-O 3.12Å; L621-S627 WeakPolarHBondContact CD2-O 3.44Å; S622-S627 PolarHBondContact N-O 3.26Å; S622-S627 CarbonylContact O-C 3.59Å; S622-S627 VanDerWaalsContact O-C 3.27Å; S622-S627 VanDerWaalsContact O-O 3.08Å; K624-S627 PolarHBondContact O-N 3.12Å
628Q84.8Confident84.2Confident93 Ų9364 Ų6444%0.43537%0.368SS..  trans-63.6144.7178.3-61.8174.4-80.500111.7S622 K624 F630S622-Q628 WeakPolarHBondContact O-CA 3.45Å; S622-Q628 PolarHBondContact O-N 3.2Å; K624-Q628 WeakPolarHBondContact O-CG 3.33Å; K624-Q628 PolarHBondContact O-N 3.38Å; Q628-F630 HydrophobicContact CB-CE2 3.88Å; Q628-F630 HydrophobicContact CB-CZ 4.49Å; Q628-F630 WeakPolarHBondContact O-CD2 3.45Å
629C85.2Confident84.4Confident37 Ų3766 Ų6625%0.2536%0.363CS..EExtended strand (participates in β ladder)trans-77.8138.7172.955.40000111.5Y612 L621 L637Y612-C629 VanDerWaalsContact OH-CB 3.23Å; Y612-C629 WeakPolarHBondContact OH-CB 3.34Å; Y612-C629 PolarHBondContact OH-SG 3.09Å; L621-C629 HydrophobicContact CD1-CB 3.96Å; C629-L637 CarbonylContact C-O 3.47Å; C629-L637 WeakPolarHBondContact CA-O 3.45Å
630F86.3Confident84.4Confident62 Ų6265.5 Ų65.527%0.27237%0.371SS..EExtended strand (participates in β ladder)trans-124.993.5173.3-71.5-94.4000107.8Q628 L632 L637 H639 H642Q628-F630 HydrophobicContact CB-CE2 3.88Å; Q628-F630 HydrophobicContact CB-CZ 4.49Å; Q628-F630 WeakPolarHBondContact O-CD2 3.45Å; F630-L632 PolarHBondContact O-N 3.49Å; F630-L637 PolarHBondContact N-O 2.96Å; F630-L637 WeakPolarHBondContact O-CB 3.33Å; F630-H639 HydrophobicContact CD2-CB 3.94Å; F630-H639 HydrophobicContact CE2-CB 3.64Å; F630-H639 AromaticContact CE2-CD2 3.89Å; F630-H639 HydrophobicContact CZ-CB 4.32Å; F630-H639 AromaticContact CZ-CD2 3.67Å; F630-H642 HydrophobicContact CB-CB 3.65Å; F630-H642 HydrophobicContact CG-CB 4.35Å
631P83.9Confident84.3Confident67 Ų6762 Ų6244%0.43536%0.356SS..EExtended strand (participates in β ladder)trans-70.6129-17627.3-33.3000111.3M603M603-P631 HydrophobicContact CE-CB 3.72Å; M603-P631 HydrophobicContact CG-CB 3.65Å; M603-P631 HydrophobicContact SD-CB 3.33Å; M603-P631 WeakPolarHBondContact SD-CB 3.36Å
632L85.1Confident84.3Confident37 Ų3764 Ų6419%0.19437%0.365CS..EExtended strand (participates in β ladder)trans-140.9125.3177.9-17766.7000109.1F630 S634 H635 L637 R645 V646F630-L632 PolarHBondContact O-N 3.49Å; L632-S634 PolarHBondContact O-N 2.87Å; L632-S634 VanDerWaalsContact O-N 3.12Å; L632-H635 PolarHBondContact N-O 3.28Å; L632-H635 WeakPolarHBondContact O-CB 3.47Å; L632-H635 PolarHBondContact O-N 3.36Å; L632-L637 HydrophobicContact CB-CD1 3.81Å; L632-L637 HydrophobicContact CD2-CD1 4.02Å; L632-R645 HydrophobicContact CD2-CB 3.87Å; L632-V646 HydrophobicContact CD2-CG2 3.94Å
633D81Confident84.4Confident130 Ų13066.5 Ų66.570%0.69537%0.374SS*.THydrogen-bonded Turntrans48.741.6176.2-53.7-37000114.7H635D633-H635 VanDerWaalsContact C-N 3.29Å; D633-H635 PolarHBondContact O-CD2 2.86Å; D633-H635 VanDerWaalsContact O-CD2 3.25Å; D633-H635 PolarHBondContact O-N 2.87Å
634S81.7Confident84.6Confident73 Ų7363.1 Ų63.151%0.5136%0.362SS..THydrogen-bonded Turntrans71.91.8-174.977.50000117.7L632L632-S634 PolarHBondContact O-N 2.87Å; L632-S634 VanDerWaalsContact O-N 3.12Å
635H84.1Confident84.6Confident65 Ų6559.2 Ų59.230%0.30134%0.344SS..EExtended strand (participates in β ladder)trans-90.9142.9176.6-60.4-82.4000113.5E615 L632 D633 L637 R645E615-H635 VanDerWaalsContact OE1-CA 3.32Å; E615-H635 WeakPolarHBondContact OE1-CA 3.45Å; E615-H635 IonicContact OE2-CE1 3.82Å; E615-H635 IonicContact OE2-CG 3.64Å; E615-H635 IonicContact OE2-ND1 2.89Å; E615-H635 PolarHBondContact OE2-ND1 3.16Å; L632-H635 PolarHBondContact N-O 3.28Å; L632-H635 WeakPolarHBondContact O-CB 3.47Å; L632-H635 PolarHBondContact O-N 3.36Å; D633-H635 VanDerWaalsContact C-N 3.29Å; D633-H635 PolarHBondContact O-CD2 2.86Å; D633-H635 VanDerWaalsContact O-CD2 3.25Å; D633-H635 PolarHBondContact O-N 2.87Å; H635-L637 HydrophobicContact CB-CD2 4.28Å; H635-L637 HydrophobicContact CB-CG 4.35Å; H635-R645 PolarHBondContact CD2-NH1 3.4Å
636L88.2Confident85.2Confident4 Ų456.4 Ų56.42%0.02132%0.324CS..EExtended strand (participates in β ladder)trans-84.4108.1169.6-65.6-178.4000110.8Y607 Y612 C614 E615 L621Y607-L636 HydrophobicContact CD1-CD1 4.25Å; Y607-L636 HydrophobicContact CE1-CD1 3.73Å; Y607-L636 HydrophobicContact CE2-CD1 4.17Å; Y612-L636 HydrophobicContact CD2-CD1 3.7Å; Y612-L636 HydrophobicContact CE2-CD1 3.66Å; Y612-L636 HydrophobicContact CE2-CD2 3.81Å; Y612-L636 HydrophobicContact CE2-CG 4.4Å; C614-L636 WeakPolarHBondContact CA-O 3.44Å; E615-L636 HydrophobicContact CG-CB 4.5Å; E615-L636 PolarHBondContact N-O 3.12Å; E615-L636 PolarHBondContact OE1-N 3.23Å; L621-L636 HydrophobicContact CD1-CB 4.04Å
637L88.3Confident85.4Confident0 Ų057.9 Ų57.90%033%0.325CS..EExtended strand (participates in β ladder)trans-116.5151.8177.8-51.2174.1000111.8E616 C629 F630 L632 H635 C641 H642 R645E616-L637 HydrophobicContact CG-CD2 3.97Å; C629-L637 CarbonylContact C-O 3.47Å; C629-L637 WeakPolarHBondContact CA-O 3.45Å; F630-L637 PolarHBondContact N-O 2.96Å; F630-L637 WeakPolarHBondContact O-CB 3.33Å; L632-L637 HydrophobicContact CB-CD1 3.81Å; L632-L637 HydrophobicContact CD2-CD1 4.02Å; H635-L637 HydrophobicContact CB-CD2 4.28Å; H635-L637 HydrophobicContact CB-CG 4.35Å; L637-C641 HydrophobicContact CB-CB 4.16Å; L637-C641 HydrophobicContact CD2-CB 4.32Å; L637-H642 HydrophobicContact CB-CB 4.16Å; L637-H642 HydrophobicContact CD1-CB 4.33Å; L637-R645 HydrophobicContact CD1-CG 4.33Å
638C90.5Very high84.7Confident7 Ų758.6 Ų58.65%0.04734%0.337CS..EExtended strand (participates in β ladder)trans-85.2165.1162.678.30000110.3C614 C617 L621 S640 C641 H642C614-C638 HydrophobicContact CB-CB 4.15Å; C614-C638 PolarHBondContact SG-N 3.27Å; C617-C638 VanDerWaalsContact SG-SG 3.67Å; L621-C638 HydrophobicContact CD2-CB 3.79Å; C638-S640 VanDerWaalsContact C-N 3.27Å; C638-S640 PolarHBondContact O-N 3.32Å; C638-S640 VanDerWaalsContact O-N 3.15Å; C638-C641 PolarHBondContact O-N 3.3Å; C638-C641 VanDerWaalsContact O-N 3.14Å; C638-C641 VanDerWaalsContact SG-SG 3.67Å; C638-H642 WeakPolarHBondContact O-CB 3.49Å; C638-H642 PolarHBondContact O-N 3.18Å
639H87.4Confident83.4Confident94 Ų9459.7 Ų59.744%0.43535%0.35SS..Hα-helixtrans-48.8-43.9-178.7-176.9-93.3000114.1F630 M643F630-H639 HydrophobicContact CD2-CB 3.94Å; F630-H639 HydrophobicContact CE2-CB 3.64Å; F630-H639 AromaticContact CE2-CD2 3.89Å; F630-H639 HydrophobicContact CZ-CB 4.32Å; F630-H639 AromaticContact CZ-CD2 3.67Å; H639-M643 WeakPolarHBondContact O-CB 3.26Å; H639-M643 PolarHBondContact O-N 3.4Å
640S87.5Confident81.9Confident82 Ų8265.4 Ų65.457%0.57337%0.373SS*.Hα-helixtrans-65.7-49.7-180-51.40000112C638 M643 S644C638-S640 VanDerWaalsContact C-N 3.27Å; C638-S640 PolarHBondContact O-N 3.32Å; C638-S640 VanDerWaalsContact O-N 3.15Å; S640-M643 PolarHBondContact O-N 2.93Å; S640-S644 PolarHBondContact O-N 3.34Å; S640-S644 PolarHBondContact O-OG 2.91Å
641C88.8Confident80Confident13 Ų1367 Ų679%0.08839%0.392CS..Hα-helixtrans-61.9-42.9178.4-72.80000112.5C614 E616 L637 C638 M643 S644 R645C614-C641 VanDerWaalsContact SG-SG 3.67Å; E616-C641 HydrophobicContact CB-CB 4.38Å; E616-C641 WeakPolarHBondContact OE2-CB 3.36Å; E616-C641 PolarHBondContact OE2-SG 3.13Å; E616-C641 VanDerWaalsContact OE2-SG 3.38Å; L637-C641 HydrophobicContact CB-CB 4.16Å; L637-C641 HydrophobicContact CD2-CB 4.32Å; C638-C641 PolarHBondContact O-N 3.3Å; C638-C641 VanDerWaalsContact O-N 3.14Å; C638-C641 VanDerWaalsContact SG-SG 3.67Å; C641-M643 PolarHBondContact O-N 3.46Å; C641-S644 PolarHBondContact O-N 3.5Å; C641-R645 PolarHBondContact O-N 3.4Å
642H88.1Confident78.4Confident44 Ų4469.7 Ų69.720%0.20441%0.407CS..Hα-helixtrans-57-48.1172.3173-84.3000111.6F630 L637 C638 S644 R645 V646F630-H642 HydrophobicContact CB-CB 3.65Å; F630-H642 HydrophobicContact CG-CB 4.35Å; L637-H642 HydrophobicContact CB-CB 4.16Å; L637-H642 HydrophobicContact CD1-CB 4.33Å; C638-H642 WeakPolarHBondContact O-CB 3.49Å; C638-H642 PolarHBondContact O-N 3.18Å; H642-S644 PolarHBondContact O-N 2.9Å; H642-R645 PolarHBondContact O-N 3.48Å; H642-V646 WeakPolarHBondContact O-CB 3.25Å; H642-V646 WeakPolarHBondContact O-CG2 3.34Å; H642-V646 PolarHBondContact O-N 3.04Å
643M87.3Confident76.6Confident84 Ų8472.9 Ų72.941%0.41443%0.43SS..Hα-helixtrans-63.7-40.7177.6-150.969.769.500111.8H639 S640 C641 V646 C647H639-M643 WeakPolarHBondContact O-CB 3.26Å; H639-M643 PolarHBondContact O-N 3.4Å; S640-M643 PolarHBondContact O-N 2.93Å; C641-M643 PolarHBondContact O-N 3.46Å; M643-V646 PolarHBondContact O-N 2.89Å; M643-C647 WeakPolarHBondContact O-CB 3.48Å; M643-C647 PolarHBondContact O-N 3.25Å; M643-C647 PolarHBondContact O-SG 2.98Å; M643-C647 VanDerWaalsContact O-SG 3.4Å
644S85.9Confident75Confident84 Ų8472.7 Ų72.759%0.58744%0.436SS*.Hα-helixtrans-60.6-43175.2-67.20000112.8S640 C641 H642 G648S640-S644 PolarHBondContact O-N 3.34Å; S640-S644 PolarHBondContact O-OG 2.91Å; C641-S644 PolarHBondContact O-N 3.5Å; H642-S644 PolarHBondContact O-N 2.9Å; S644-G648 WeakPolarHBondContact O-CA 3.48Å; S644-G648 PolarHBondContact O-N 3.15Å
645R84.4Confident73.4Confident71 Ų7177.4 Ų77.427%0.26845%0.449SS..Hα-helixtrans-66.2-49.6174.9-72.2-160.5-176.2178.5-0.3112.5E616 L632 H635 L637 C641 H642 C647 G648 T649E616-R645 VanDerWaalsContact CG-NH2 3.34Å; E616-R645 IonicContact OE1-CZ 2.7Å; E616-R645 VanDerWaalsContact OE1-CZ 3.22Å; E616-R645 IonicContact OE1-NE 3.76Å; E616-R645 PolarHBondContact OE1-NE 3.47Å; E616-R645 IonicContact OE1-NH2 3.69Å; E616-R645 PolarHBondContact OE1-NH2 3.21Å; L632-R645 HydrophobicContact CD2-CB 3.87Å; H635-R645 PolarHBondContact CD2-NH1 3.4Å; L637-R645 HydrophobicContact CD1-CG 4.33Å; C641-R645 PolarHBondContact O-N 3.4Å; H642-R645 PolarHBondContact O-N 3.48Å; R645-C647 VanDerWaalsContact C-N 3.32Å; R645-C647 PolarHBondContact O-N 3.14Å; R645-G648 PolarHBondContact O-N 2.82Å; R645-T649 PolarHBondContact O-N 2.96Å; R645-T649 VanDerWaalsContact O-N 3.13Å; R645-T649 PolarHBondContact O-OG1 2.88Å
646V84.7Confident71.8Confident59 Ų5981.4 Ų81.436%0.35847%0.473SS..Hα-helixtrans-66.1-33.1-176.1173.60000112.2L632 H642 M643 T649L632-V646 HydrophobicContact CD2-CG2 3.94Å; H642-V646 WeakPolarHBondContact O-CB 3.25Å; H642-V646 WeakPolarHBondContact O-CG2 3.34Å; H642-V646 PolarHBondContact O-N 3.04Å; M643-V646 PolarHBondContact O-N 2.89Å; V646-T649 PolarHBondContact O-OG1 2.79Å
647C79.9Confident69.8Low83 Ų8387.3 Ų87.356%0.56151%0.509SS*.Hα-helixtrans-81.1-32.3172.1-65.10000112.8M643 R645 T649 H650M643-C647 WeakPolarHBondContact O-CB 3.48Å; M643-C647 PolarHBondContact O-N 3.25Å; M643-C647 PolarHBondContact O-SG 2.98Å; M643-C647 VanDerWaalsContact O-SG 3.4Å; R645-C647 VanDerWaalsContact C-N 3.32Å; R645-C647 PolarHBondContact O-N 3.14Å; C647-T649 PolarHBondContact O-N 3.37Å; C647-H650 PolarHBondContact O-N 3.2Å
648G65Low67.8Low42 Ų4298.9 Ų98.943%0.43356%0.563SS.*Hα-helixtrans-68.6-29.9-178.600000114.3S644 R645 H650 S651S644-G648 WeakPolarHBondContact O-CA 3.48Å; S644-G648 PolarHBondContact O-N 3.15Å; R645-G648 PolarHBondContact O-N 2.82Å; G648-H650 PolarHBondContact O-N 3.48Å; G648-S651 PolarHBondContact O-OG 2.73Å; G648-S651 VanDerWaalsContact O-OG 3.12Å
649T57.4Low66.7Low116 Ų116103.5 Ų103.571%0.71259%0.589SS**THydrogen-bonded Turntrans-72.7-11.6175.650.70000113.9R645 V646 C647R645-T649 PolarHBondContact O-N 2.96Å; R645-T649 VanDerWaalsContact O-N 3.13Å; R645-T649 PolarHBondContact O-OG1 2.88Å; V646-T649 PolarHBondContact O-OG1 2.79Å; C647-T649 PolarHBondContact O-N 3.37Å
650H53.6Low65.6Low156 Ų156104 Ų10472%0.72260%0.597SS**THydrogen-bonded Turntrans-91-7.3178.7-93-79.9000114.6C647 G648 V652C647-H650 PolarHBondContact O-N 3.2Å; G648-H650 PolarHBondContact O-N 3.48Å; H650-V652 VanDerWaalsContact C-N 3.28Å; H650-V652 PolarHBondContact O-N 2.88Å
651S48.3Very low64.4Low97 Ų97105.2 Ų105.268%0.67860%0.598SS**  trans-79.675.7173.662.80000111.6G648G648-S651 PolarHBondContact O-OG 2.73Å; G648-S651 VanDerWaalsContact O-OG 3.12Å
652V48.7Very low63Low122 Ų122110.6 Ų110.674%0.73963%0.628SS**PPolyproline II helixtrans-55.1133164.5-179.40000108.3H650H650-V652 VanDerWaalsContact C-N 3.28Å; H650-V652 PolarHBondContact O-N 2.88Å
653P48.2Very low61.4Low105 Ų105114.8 Ų114.868%0.68266%0.655SS**PPolyproline II helixtrans-61.3143.7179.325.6-34.7000110.6H655P653-H655 PolarHBondContact O-N 3.43Å; P653-H655 VanDerWaalsContact O-N 3.12Å
654P46.6Very low59.7Low126 Ų126116.9 Ų116.982%0.81867%0.671SS**PPolyproline II helixtrans-60.4120.6177.925.6-33.5000109.3N656P654-N656 PolarHBondContact O-N 3Å; P654-N656 VanDerWaalsContact O-N 3.09Å
655H47.6Very low57.8Low172 Ų172119.2 Ų119.280%0.79668%0.677SS**  trans-67.5112.7-178.3-158.5-68.1000108.8P653 T657P653-H655 PolarHBondContact O-N 3.43Å; P653-H655 VanDerWaalsContact O-N 3.12Å; H655-T657 PolarHBondContact O-N 3.34Å
656N50.7Low55.8Low148 Ų148122.9 Ų122.979%0.79171%0.708SS**  trans-71.999.3-174.2-14918.8000109P654P654-N656 PolarHBondContact O-N 3Å; P654-N656 VanDerWaalsContact O-N 3.09Å
657T46.1Very low53.4Low129 Ų129128.3 Ų128.379%0.79174%0.737SS**  trans-92.7110.417352.10000108.9H655H655-T657 PolarHBondContact O-N 3.34Å
658H48.3Very low50.9Low243 Ų243132.4 Ų132.4100%1.12575%0.754SS**  trans-117.40179.3-167.1-32.5000109.4

Retrieved 658 of 658 residues in 281.3 ms (Link to these results)