A0A3Q0KJE7_SCHMA Loading...

Early growth response protein, putative

AlphaFold DB , UniProt , Accession A0A3Q0KJE7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 626 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
1M33.8Very low33.4Very low247 Ų247163.5 Ų163.5100%1.21783%0.834SS**  0105.50-62.6171.783.700105.5
2S35.3Very low33.3Very low116 Ų116162.8 Ų162.881%0.81183%0.825SS**  cis-156117.314.337.70000106.4
3D31.2Very low33.2Very low166 Ų166163.5 Ų163.589%0.88882%0.824SS**  trans-70.6141.6169.9-71.7-51.7000110.6
4S40Very low33.1Very low120 Ų120165.8 Ų165.884%0.83983%0.83SS**  trans-131.890.3156.460.10000109.1
5N31.4Very low32.9Very low151 Ų151166.4 Ų166.481%0.80783%0.829SS**  trans-60.7152.9160.7-111.3-24.5000111.8
6K37.3Very low32.6Very low204 Ų204164.3 Ų164.389%0.88783%0.833SS**  trans136124.2156.6-78.3166.8-177.8-176.70107.9
7S36.6Very low32.6Very low112 Ų112163.6 Ų163.678%0.78383%0.831SS**  cis-159.6135.746.247.10000113.1
8Y27.1Very low32.6Very low201 Ų201161 Ų16179%0.78883%0.827SS**  trans-46.8144.1151.6-118.9-110.2000112.5
9W34.7Very low32.5Very low245 Ų245164.6 Ų164.693%0.92883%0.831SS**  -159.8125.3123.3-84.6105000109.4
10S30.7Very low32.3Very low73 Ų73162.8 Ų162.851%0.5183%0.828SS.*  trans-68.8155.8171.1340000112.6
11F29.4Very low32.5Very low164 Ų164161.6 Ų161.672%0.71983%0.829SS**  -175.5127.1126.5-116.4-114.4000112.3
12E31.9Very low32.2Very low155 Ų155156 Ų15672%0.72481%0.809SS**  trans66.7108.6144.2-73.2169.517400123.2
13E31.7Very low32.1Very low172 Ų172155.2 Ų155.280%0.80481%0.81SS**  trans-8.5129.3140.4-62.4173.6152.800116.9
14E32.9Very low32.2Very low195 Ų195152.9 Ų152.991%0.91180%0.802SS**  trans-148.9134.9130.4-78.2-150.615500111.2
15H29.5Very low32Very low175 Ų175154.8 Ų154.881%0.8180%0.802SS**  trans-68.5128.5-177.5-69.7-73.9000112.9
16C29Very low32Very low133 Ų133153.7 Ų153.790%0.89980%0.801SS**  trans-116.3101.4163.5-82.90000110.4
17L31.1Very low32.1Very low153 Ų153151.6 Ų151.680%0.80180%0.798SS**PPolyproline II helixtrans-63.8140.3167.8-66.6162.7000110.6
18P33Very low32.1Very low116 Ų116151 Ų15175%0.75379%0.794SS**PPolyproline II helixtrans-84.8124.5170.932.4-27.7000110.3T20P18-T20 PolarHBondContact O-N 2.82Å
19Y30.4Very low32.2Very low230 Ų230148 Ų14890%0.90280%0.797SS**PPolyproline II helixtrans-66.7119.1171.1-85.6-98000110.7
20T29.8Very low32.4Very low127 Ų127142.5 Ų142.578%0.77978%0.784SS**PPolyproline II helixtrans-96116.8167.652.20000109.8P18P18-T20 PolarHBondContact O-N 2.82Å
21T35Very low32.7Very low139 Ų139145.3 Ų145.385%0.85380%0.799SS**  trans-104.5105.7167.438.50000109.8
22T28.7Very low32.9Very low128 Ų128144.3 Ų144.379%0.78581%0.806SS**  trans-83.7114.5169.526.90000109.5
23A33.6Very low33.1Very low101 Ų101141.7 Ų141.784%0.83581%0.811SS**  trans-104.3101.1165.600000108.9
24T33Very low33.1Very low117 Ų117140 Ų14072%0.71881%0.813SS**  trans-86113.2171.838.70000109.4
25N34.3Very low33.2Very low159 Ų159138.1 Ų138.185%0.8581%0.807SS**  trans-91.4101.7163.4-83.3-27.5000108.8
26T32.9Very low33.2Very low128 Ų128136.1 Ų136.179%0.78581%0.808SS**  trans-71.4115.4167.139.20000109.3
27I38.1Very low33.6Very low160 Ų160136.8 Ų136.882%0.82180%0.801SS**  trans-98105.5164.4-63.5176.9000106.8
28S36.6Very low33.5Very low100 Ų100135.8 Ų135.870%0.69980%0.801SS**  trans-67.7129.8174.317.70000111.2
29T30.7Very low33.8Very low138 Ų138136.6 Ų136.685%0.84780%0.804SS**  trans-58.9126.7169.443.50000111.4
30I38.9Very low34Very low129 Ų129132 Ų13266%0.66280%0.8SS**  trans-115.6117164.2-62.2177.5000108
31T36.8Very low34.3Very low133 Ų133132.5 Ų132.582%0.81680%0.803SS**  trans-65.4132.2173.426.90000111.2
32T33.6Very low34.3Very low143 Ų143132.3 Ų132.388%0.87780%0.802SS**  trans-77.9125.4173.644.10000110.8
33A35.9Very low34.6Very low99 Ų99132.6 Ų132.682%0.81880%0.803SS**  trans-104.9126.9164.800000109.4
34T32Very low34.9Very low138 Ų138134.5 Ų134.585%0.84781%0.805SS**  trans-77.4132.2178.744.20000111.4
35I34.8Very low35Very low154 Ų154133.7 Ų133.779%0.7980%0.804SS**  trans-126.9118.1164.4-61.9177.1000107.7I37I35-I37 HydrophobicContact CG2-CG1 4.39Å
36T28.9Very low35.2Very low134 Ų134132.9 Ų132.982%0.82280%0.8SS**  trans-79.2129.9172.240.10000110.4
37I36.3Very low35.6Very low147 Ų147133.4 Ų133.475%0.75480%0.797SS**  trans-126.9115.8164.7-58.3178.8000108I35I35-I37 HydrophobicContact CG2-CG1 4.39Å
38T30.3Very low35.5Very low132 Ų132132.6 Ų132.681%0.8179%0.794SS**  trans-79.1129.3170.242.30000110.1
39T38.2Very low35.5Very low132 Ų132133.3 Ų133.381%0.8180%0.799SS**  trans-123.8119.7163.146.50000110.5
40T35.6Very low35.8Very low133 Ų133133.5 Ų133.582%0.81680%0.799SS**  trans-74.1130.3175.644.80000110.9
41T35.5Very low36Very low139 Ų139133.2 Ų133.285%0.85381%0.809SS**  trans-89.7122.8167.442.80000109.7
42T35.9Very low35.8Very low135 Ų135131.6 Ų131.683%0.82880%0.803SS**  trans-106.8116.716841.40000109.1
43T34.6Very low36Very low133 Ų133130.5 Ų130.582%0.81680%0.796SS**  trans-79138.1171.547.60000110.9
44T39Very low36Very low142 Ų142130.8 Ų130.887%0.87179%0.788SS**  trans-133.2115157.847.80000108.3
45S35.8Very low36.3Very low100 Ų100131.2 Ų131.270%0.69979%0.785SS**  trans-77.2-175.9169.753.70000111.2
46D38Very low36.5Very low142 Ų142127.6 Ų127.676%0.75978%0.778SS**  trans108.3123.8167.2-53-3.3000109.4
47I41.2Very low36.9Very low139 Ų139127 Ų12771%0.71378%0.779SS**  cis-166.2145.325.4-65.6-168000110.3
48D36.3Very low37Very low143 Ų143125 Ų12577%0.76578%0.779SS**  trans46.5125.3150.2-52.2-20.9000124.9
49S38.1Very low37.3Very low114 Ų114123.4 Ų123.480%0.79777%0.773SS**  153.5110.795.551.70000112.4
50V36.1Very low37.2Very low143 Ų143128.4 Ų128.487%0.86778%0.777SS**  trans-133.2114161.9177.90000107.8
51S42.5Very low36.9Very low123 Ų123131.5 Ų131.586%0.8678%0.779SS**  trans-80136.3166.636.50000110
52S32.5Very low37Very low98 Ų98130 Ų13069%0.68577%0.772SS**  trans-110.7175.2-179.251.20000110.5
53T37.7Very low36.9Very low121 Ų121130.9 Ų130.974%0.74277%0.771SS**  trans90.1139.5163.275.50000116.4
54T37.1Very low36.6Very low105 Ų105131 Ų13164%0.64477%0.771SS**  cis-172.2167.3-19.335.50000105.8
55D37.2Very low36.2Very low147 Ų147129.5 Ų129.579%0.78677%0.766SS**  trans74.8146.1152.7-53.4-37.4000118.6
56A39.1Very low35.7Very low77 Ų77133.3 Ų133.364%0.63678%0.776SS**  cis-175.2155.6-16.900000106
57S39Very low35.4Very low121 Ų121133 Ų13385%0.84678%0.779SS**  trans68.7152156.573.10000118.5
58S37.3Very low34.9Very low107 Ų107131.9 Ų131.975%0.74878%0.778SS**  cis-178.8147.5-23.6-179.10000105.5
59S36Very low34.6Very low98 Ų98131 Ų13169%0.68578%0.78SS**  trans90.3133.8154.186.30000121.3
60R36.2Very low34.2Very low236 Ų236131.2 Ų131.289%0.89178%0.776SS**  trans101.396159.6-65.6-177.8-144.4-1583.3119
61F30.6Very low33.8Very low199 Ų199128.9 Ų128.987%0.87377%0.767SS**  trans-51.3-178.6146.7-69.1-88.5000113.5
62P37.1Very low33.3Very low107 Ų107128.6 Ų128.670%0.69576%0.76SS**  -126173.2-52.335.4-19.6000110.7
63L32.6Very low33Very low154 Ų154128.6 Ų128.681%0.80676%0.76SS**  trans158.4119141.1-85.5161.2000111.3
64T28.3Very low32.6Very low135 Ų135129.8 Ų129.883%0.82876%0.762SS**  trans34.4104.514752.60000119.1
65S30.5Very low32.2Very low110 Ų110130.7 Ų130.777%0.76977%0.767SS**  trans-144.8134.2137.984.10000110.7
66M26.4Very low31.9Very low181 Ų181131.4 Ų131.489%0.89277%0.769SS**  trans-59.1135.3174.5-55.11767900110.4
67T31.5Very low31.3Very low136 Ų136137.9 Ų137.983%0.83478%0.779SS**  trans-145.3124.2155.728.50000109.9
68V30.1Very low31Very low114 Ų114136.2 Ų136.269%0.69177%0.765SS**  trans-71.1141.7-178.4-1750000109.4V70V68-V70 PolarHBondContact O-N 2.69Å; V68-V70 VanDerWaalsContact O-N 3.09Å
69P30.5Very low30.6Very low124 Ų124137.6 Ų137.681%0.80576%0.762SS**  trans-74.1100158.930.1-26.8000107.3S71P69-S71 PolarHBondContact O-N 3.3Å
70V30.4Very low30.3Very low119 Ų119140.9 Ų140.972%0.72177%0.767SS**  trans-61.7120.3169.1170.10000108.1V68 T72V68-V70 PolarHBondContact O-N 2.69Å; V68-V70 VanDerWaalsContact O-N 3.09Å; V70-T72 PolarHBondContact O-N 3.32Å
71S26.8Very low29.9Very low95 Ų95136.1 Ų136.166%0.66476%0.764SS**  trans-71.8115.2166.559.70000109.2P69 S73P69-S71 PolarHBondContact O-N 3.3Å; S71-S73 VanDerWaalsContact C-N 3.33Å; S71-S73 PolarHBondContact O-N 3.3Å; S71-S73 VanDerWaalsContact O-N 3.15Å
72T31.7Very low29.9Very low117 Ų117134.2 Ų134.272%0.71876%0.762SS**  trans-82.186165.550.50000108.4V70V70-T72 PolarHBondContact O-N 3.32Å
73S27Very low29.7Very low97 Ų97138 Ų13868%0.67877%0.771SS**  trans-9479.3161.7-48.40000106.9S71 V75S71-S73 VanDerWaalsContact C-N 3.33Å; S71-S73 PolarHBondContact O-N 3.3Å; S71-S73 VanDerWaalsContact O-N 3.15Å; S73-V75 PolarHBondContact O-N 3.22Å
74D30Very low29.8Very low146 Ų146135.6 Ų135.678%0.78177%0.766SS**  trans-80.4118.7177.4-77.6-34.6000110.8
75V27.4Very low30.1Very low125 Ų125137 Ų13776%0.75876%0.763SS**  trans-66.3125.2178.41720000110.3S73S73-V75 PolarHBondContact O-N 3.22Å
76I31.1Very low30.2Very low162 Ų162141.1 Ų141.183%0.83177%0.768SS**  trans-135.193.5158.4-54.5179.6000108.8
77Y26.7Very low30.5Very low213 Ų213140.5 Ų140.584%0.83576%0.76SS**  trans-93151.3141.1-90.2-79.7000105.6
78P33.1Very low30.7Very low86 Ų86141.3 Ų141.356%0.55876%0.755SS**  -159.4-174.368.333.3-6.4000117.8
79I28.4Very low31Very low136 Ų136145.1 Ų145.170%0.69776%0.757SS**  trans89.196.3150.7-36.8-178.2000118.7
80H30Very low31.3Very low167 Ų167144.1 Ų144.177%0.77374%0.741SS**  -172.177.7118.6-108-84.3000109.9
81T27.7Very low31.7Very low136 Ų136144.1 Ų144.183%0.83474%0.736SS**  trans-119.183.5165.244.70000107.8
82L30.7Very low32.3Very low158 Ų158148 Ų14883%0.82774%0.744SS**  trans-147.153.8172.2-79.9177.4000109.9
83E33.3Very low32.6Very low188 Ų188152.3 Ų152.388%0.87975%0.747SS**SBendtrans-144.30.8169.9-108.6175.5-168.500114.7
84S34.5Very low33Very low102 Ų102156.6 Ų156.671%0.71375%0.748SS**SBendtrans-114.78.5-175.8-50.50000115.1
85Q34Very low33Very low164 Ų164153.3 Ų153.377%0.76675%0.749SS**SBendtrans-106.66.5178.3-72.8-165.1-6.700114.9
86F33.2Very low33.2Very low198 Ų198155.3 Ų155.387%0.86876%0.755SS**SBendtrans-109.2-6.4177.6-96.5-87.7000114.8
87F33.2Very low33.4Very low167 Ų167156.8 Ų156.873%0.73276%0.758SS**SBendtrans-100.1-20.6-177.2-147.6-99.8000113.9I91F87-I91 HydrophobicContact CD1-CD1 4.23Å; F87-I91 HydrophobicContact CE1-CD1 4.23Å
88E35.3Very low33.5Very low154 Ų154155.9 Ų155.972%0.7276%0.761SS**SBendtrans-91.3-14.8-177.7-70.8-171.5159.800114.3
89R35.2Very low33.5Very low194 Ų194157.4 Ų157.473%0.73277%0.774SS**SBendtrans-91.3-4.9179.4-81.2-174.3-173.7154.63.7115.9
90E36.7Very low33.5Very low102 Ų102160.3 Ų160.348%0.47778%0.784SS.*SBendtrans-100.2-15178.3-161.961.9-157.700112.5R94E90-R94 IonicContact OE1-NE 3.37Å; E90-R94 IonicContact OE1-NH2 3.37Å
91I40.6Very low33.3Very low120 Ų120155.6 Ų155.662%0.61578%0.781SS**SBendtrans-86.1-23-177.1-63.3175.5000112F87F87-I91 HydrophobicContact CD1-CD1 4.23Å; F87-I91 HydrophobicContact CE1-CD1 4.23Å
92E39.2Very low33.2Very low177 Ų177156.9 Ų156.983%0.82778%0.782SS**SBendtrans-86.8-11.7175.3-70.7-177.5152.200114.2
93R37.4Very low33Very low206 Ų206160.4 Ų160.478%0.77779%0.786SS**SBendtrans-90-14.1-179-99.6-165.7174.3114.3-0.4115.1
94R34.6Very low32.8Very low187 Ų187157.7 Ų157.771%0.70678%0.776SS**  trans-115.773.6-179.4-62.7-171.8-171-176.54.6109.8E90 L96E90-R94 IonicContact OE1-NE 3.37Å; E90-R94 IonicContact OE1-NH2 3.37Å; R94-L96 PolarHBondContact O-N 3.39Å
95G30.3Very low32.4Very low78 Ų78161.5 Ų161.580%0.80478%0.782SS**  trans-61102.7171.300000110.6
96L33.1Very low32.2Very low167 Ų167158.4 Ų158.487%0.87478%0.779SS**  trans-139.3126.9164.4-90.7164.5000109.5R94R94-L96 PolarHBondContact O-N 3.39Å
97Q35.3Very low31.9Very low193 Ų193154.2 Ų154.290%0.90277%0.77SS**  trans-66.9154.8-170.5-65.5-175.4-31.600112.8
98H27.3Very low31.6Very low193 Ų193151.5 Ų151.589%0.89477%0.769SS**  trans-57.9137.6177-68.424000112.3
99S32.6Very low31.3Very low118 Ų118151 Ų15183%0.82577%0.77SS**  trans-141.2140.2151.762.70000110.2
100E29Very low30.9Very low197 Ų197146.4 Ų146.492%0.92177%0.766SS**  trans-65.5151.6-165.8-58.3165.214600114.3
101G26.3Very low30.5Very low69 Ų69150.5 Ų150.571%0.71179%0.786SS**  trans85.798.9148.300000117.7
102L26.2Very low29.9Very low162 Ų162153.2 Ų153.285%0.84880%0.795SS**  trans162.484.7139.9-92.6148.4000108.7I104L102-I104 PolarHBondContact O-N 3.04Å
103Y24.6Very low29.3Very low233 Ų233154 Ų15491%0.91480%0.797SS**  trans-84.798166-123.7-89.7000107.9E105Y103-E105 PolarHBondContact O-N 3.21Å
104I30.4Very low28.9Very low131 Ų131153.5 Ų153.567%0.67280%0.8SS**  trans-70.9117.8162.4-62.8172.2000105.9L102 S106L102-I104 PolarHBondContact O-N 3.04Å; I104-S106 VanDerWaalsContact C-N 3.33Å; I104-S106 PolarHBondContact O-N 3.46Å; I104-S106 PolarHBondContact O-OG 3.38Å
105E25Very low28.7Very low181 Ų181152 Ų15285%0.84681%0.806SS**  trans-52.895.9170.6-79.9-177.8147.200109.6Y103Y103-E105 PolarHBondContact O-N 3.21Å
106S29.8Very low28.6Very low100 Ų100155.5 Ų155.570%0.69981%0.805SS**  trans-104.889.7166.3240000106I104 P108I104-S106 VanDerWaalsContact C-N 3.33Å; I104-S106 PolarHBondContact O-N 3.46Å; I104-S106 PolarHBondContact O-OG 3.38Å; S106-P108 WeakPolarHBondContact O-CD 3.37Å
107T28.2Very low28.2Very low110 Ų110155 Ų15568%0.67580%0.802SS**  trans-53.5122.2168.839.30000109.4I109T107-I109 VanDerWaalsContact C-N 3.33Å; T107-I109 PolarHBondContact O-N 3.09Å; T107-I109 VanDerWaalsContact O-N 3.08Å
108P27.5Very low27.9Very low110 Ų110156.6 Ų156.671%0.71480%0.802SS**  trans-73.9101.6156.329.8-24.8000105.4S106 C110S106-P108 WeakPolarHBondContact O-CD 3.37Å; P108-C110 PolarHBondContact O-N 3.36Å
109I27.6Very low27.9Very low142 Ų142156.2 Ų156.273%0.72880%0.798SS**  trans-60.287.6156.9-63.1169.8000105.1T107 Q111T107-I109 VanDerWaalsContact C-N 3.33Å; T107-I109 PolarHBondContact O-N 3.09Å; T107-I109 VanDerWaalsContact O-N 3.08Å; I109-Q111 PolarHBondContact O-N 3.11Å
110C26.3Very low27.6Very low98 Ų98154.1 Ų154.166%0.66278%0.783SS**  trans-66.495.7174.5-76.40000108.6P108 E112P108-C110 PolarHBondContact O-N 3.36Å; C110-E112 VanDerWaalsContact C-N 3.33Å; C110-E112 PolarHBondContact O-N 2.79Å
111Q29.1Very low27.6Very low189 Ų189153.3 Ų153.388%0.88378%0.779SS**SBend42.839.8129.3-72.6178.8-30.200119.1I109I109-Q111 PolarHBondContact O-N 3.11Å
112E27.8Very low27.7Very low176 Ų176155.2 Ų155.282%0.82278%0.781SS**  trans-111.262.5158.8-81-172.8157.100110.3C110C110-E112 VanDerWaalsContact C-N 3.33Å; C110-E112 PolarHBondContact O-N 2.79Å
113F25.9Very low27.9Very low194 Ų194155.2 Ų155.285%0.85178%0.777SS**  trans-144.248.9173-91.8-76.4000112.6
114K30.8Very low28Very low195 Ų195155.2 Ų155.285%0.84878%0.776SS**SBendtrans-128.5120.7159.3-102.4-179.3175.9177.70109.3
115N30.2Very low28Very low157 Ų157158.4 Ų158.484%0.8479%0.787SS**SBendtrans107.532.9170.4-51.7-12.7000117.4
116I26.7Very low28.2Very low151 Ų151156.3 Ų156.377%0.77479%0.787SS**SBendtrans-109.4134.7144.4-59.2176.4000105.6
117L26.7Very low28.4Very low156 Ų156156.6 Ų156.682%0.81779%0.786SS**  trans88.786.7-172.4-48.4173.9000113.9
118Y28.8Very low28.3Very low227 Ų227155.9 Ų155.989%0.8979%0.786SS**  -171.1110.8109.8-110.7-88.2000110.4
119F27.5Very low28.7Very low185 Ų185158.9 Ų158.981%0.81179%0.79SS**  trans-27.5151.2140.6-111.8-121.1000111.8
120S25.7Very low28.8Very low73 Ų73158.1 Ų158.151%0.5179%0.792SS.*  cis172.3156.41.9550000106.3
121Q28.9Very low28.7Very low180 Ų180161.7 Ų161.784%0.84180%0.801SS**  trans73.5132160.8-57.3172.614.400114.6
122S28.5Very low28.6Very low109 Ų109162 Ų16276%0.76280%0.802SS**  cis-170.113936.839.20000111.4
123Q29.2Very low28.4Very low162 Ų162160.1 Ų160.176%0.75780%0.797SS**  trans52.3112.6139.3-57-156.6-4.400123.9
124R26.7Very low28.7Very low234 Ų234156 Ų15688%0.88379%0.792SS**  trans2139.9141-60.2-179.1-166.7-143.90.4119.7
125Q30.4Very low28.4Very low197 Ų197152 Ų15292%0.92178%0.784SS**  -156.7134.8126.6-103.3173.21900111.8
126V30.9Very low28.2Very low137 Ų137150.7 Ų150.783%0.8378%0.781SS**  trans-120.5172.9160.8-144.80000103.8
127P34.1Very low28.3Very low107 Ų107149.3 Ų149.370%0.69578%0.78SS**  cis-150.2-163.38.540.6-15.9000117.2
128S26Very low28.2Very low94 Ų94151.2 Ų151.266%0.65778%0.782SS**  trans100.3130.4140.971.40000122.3
129H34.3Very low28.2Very low173 Ų173145.2 Ų145.280%0.80178%0.78SS**  trans176.4100.9137.5-91.4-62.8000109.1
130T29.9Very low28.3Very low127 Ų127139.7 Ų139.778%0.77978%0.775SS**  82.9127.682.152.40000116.1
131M23.7Very low28.5Very low172 Ų172141.9 Ų141.985%0.84779%0.79SS**  trans-68149.5177.6-68.7-173.1161.300113.7
132E28.9Very low28.7Very low195 Ų195138.9 Ų138.991%0.91179%0.789SS**  trans-135.6135.3145-78.9-167.7160.600111.2
133I23.4Very low29Very low137 Ų137141.2 Ų141.270%0.70379%0.788SS**  trans-96.5134.9178.5-68.2165.2000107.4T135I133-T135 HydrophobicContact CG2-CG2 4.2Å
134S31.3Very low29.1Very low109 Ų109142.1 Ų142.176%0.76279%0.789SS**  trans-156.586.9159-65.70000107.7
135T25.6Very low29.5Very low110 Ų110136.3 Ų136.368%0.67578%0.782SS**  55.4118.695.757.50000116.1I133I133-T135 HydrophobicContact CG2-CG2 4.2Å
136V25.4Very low29.5Very low129 Ų129133.4 Ų133.478%0.78278%0.777SS**  trans67.1139.1150.8-121.20000117.2
137T27.7Very low29.7Very low122 Ų122131.5 Ų131.575%0.74877%0.768SS**  cis-164.6159.820.1-29.40000109.8
138F25.2Very low29.3Very low197 Ų197137.2 Ų137.286%0.86478%0.777SS**  trans-32.7142.7172.3-83.6-109.5000119.1
139A30Very low29.5Very low101 Ų101140 Ų14084%0.83578%0.783SS**  152.2140.4105.900000111.8
140G29.7Very low29.3Very low68 Ų68136.3 Ų136.370%0.70178%0.777SS**  trans103.493.9152.500000117
141S28.6Very low29.3Very low120 Ų120140.1 Ų140.184%0.83978%0.782SS**  trans22.6120.5133.160.10000119
142S32.8Very low29.5Very low117 Ų117138.9 Ų138.982%0.81878%0.778SS**  -171.3124.2107.5-166.20000111.4
143Q34.4Very low29.5Very low157 Ų157133.4 Ų133.473%0.73477%0.774SS**  trans-42152.9153.7-66.5172.71.800111
144K32.2Very low29.8Very low182 Ų182134.5 Ų134.579%0.79178%0.776SS**  -175.3166.556.9-127.7155.6-167.8-167.30110.4
145P35.1Very low29.8Very low111 Ų111137.1 Ų137.172%0.72178%0.776SS**  trans-107.5176.5-170.440.3-26.7000113.1
146V31.4Very low30.1Very low137 Ų137138.7 Ų138.783%0.8378%0.776SS**  trans-153.9149.2170.6-153.20000109.1
147P34.5Very low30.6Very low97 Ų97140 Ų14063%0.6377%0.771SS**  -136.6154.3-60.137.9-21.4000112.7I149P147-I149 HydrophobicContact CG-CG1 4.46Å
148Y25.8Very low30.7Very low227 Ų227140 Ų14089%0.8977%0.771SS**  trans-93.9123153.7-149.7-96.9000106.5S150Y148-S150 PolarHBondContact O-N 3Å
149I30.5Very low31.1Very low151 Ų151139.2 Ų139.277%0.77477%0.77SS**  trans-87.8100178.5-61.5174.7000108.2P147P147-I149 HydrophobicContact CG-CG1 4.46Å
150S28.9Very low31Very low97 Ų97139.1 Ų139.168%0.67876%0.763SS**PPolyproline II helixtrans-97.1128.1156.939.10000108.7Y148 I152Y148-S150 PolarHBondContact O-N 3Å; S150-I152 PolarHBondContact O-N 2.81Å
151K29.5Very low30.8Very low206 Ų206141.1 Ų141.190%0.89677%0.765SS**PPolyproline II helixtrans-63.2122.4175.9-75.1176.8175.1177.30110
152I28.7Very low30.9Very low147 Ų147143 Ų14375%0.75476%0.764SS**PPolyproline II helixtrans-100.5126.2159.2-62.5172.6000106.4S150 E154S150-I152 PolarHBondContact O-N 2.81Å; I152-E154 HydrophobicContact CG2-CG 3.99Å
153G28.9Very low30.5Very low80 Ų80143.4 Ų143.483%0.82576%0.761SS**  trans-130.5100160.700000106.4
154E30Very low30.3Very low159 Ų159141.4 Ų141.474%0.74376%0.762SS**  trans-77.1146.3172.8-82.6179.8157.600111I152I152-E154 HydrophobicContact CG2-CG 3.99Å
155H30.6Very low30Very low164 Ų164137.7 Ų137.776%0.75976%0.759SS**  trans53.1112.7141.4-79.6-99.4000119
156E33.4Very low29.6Very low144 Ų144137.3 Ų137.367%0.67376%0.759SS**  173142.890.7-85.7-155.4140.100111.8
157K34.7Very low29.6Very low157 Ų157136 Ų13668%0.68376%0.756SS**  trans68.399.4147.2-70.9165.1-174.8145.30120.5
158T29.1Very low29.5Very low122 Ų122139.1 Ų139.175%0.74876%0.76SS**  30.9136.9117.654.10000121.3
159Q34.4Very low29.6Very low180 Ų180138.4 Ų138.484%0.84176%0.757SS**  trans82.995.2159.8-68.6177.6-11.300115.6
160S28.3Very low29.6Very low98 Ų98134.8 Ų134.869%0.68576%0.757SS**  83.4120.481740000113.9
161C25.1Very low29.4Very low110 Ų110139.1 Ų139.174%0.74377%0.766SS**  trans91.7117.7147.7-59.60000119.6
162I30.9Very low29.6Very low161 Ų161135.5 Ų135.583%0.82676%0.764SS**  trans87.3111138.6-56.6158.3000117.5
163T25.2Very low29.5Very low125 Ų125131.2 Ų131.277%0.76776%0.756SS**  trans-56.7150.8160.651.60000111.8
164P29.3Very low29.6Very low114 Ų114135.6 Ų135.674%0.7476%0.759SS**  -156166.472.939-16.8000117.9
165S24.9Very low29.3Very low104 Ų104137.4 Ų137.473%0.72776%0.76SS**  trans9.3137.2153.260.50000122.4
166S28.5Very low29.2Very low104 Ų104137.6 Ų137.673%0.72776%0.761SS**  118.7125.6127.678.10000118.1
167S31.3Very low28.9Very low110 Ų110138.5 Ų138.577%0.76976%0.763SS**  trans68.5150.1152.697.50000116
168K31.5Very low28.5Very low162 Ų162137.4 Ų137.470%0.70477%0.769SS**  cis-176.81540.5-135.4172.5171.8-170.40105.2
169Y28.9Very low28.5Very low212 Ų212138 Ų13883%0.83177%0.773SS**  trans77.5131.9161.5-67.7-74000121.7
170G29.8Very low28.1Very low75 Ų75134.8 Ų134.877%0.77377%0.771SS**  trans148.372.6155.300000115.2
171E25.2Very low28.1Very low187 Ų187139.8 Ų139.887%0.87478%0.775SS**  trans-69.9161.5166.4-74.5-171157.400112.1
172P33.4Very low28.3Very low130 Ų130141.8 Ų141.884%0.84478%0.776SS**  -129134.3121.133.7-23.7000112.5
173G27.2Very low28.4Very low57 Ų57140.9 Ų140.959%0.58877%0.768SS**  trans-83.4165.5-176.300000115.6
174I30Very low28.6Very low172 Ų172143.2 Ų143.288%0.88277%0.771SS**  trans-135.2120.1156.8-60.9-179.3000106.6
175Y23.7Very low28.8Very low197 Ų197146.4 Ų146.477%0.77378%0.776SS**  trans-67.7154.9179.2-75.4-103.5000111.8
176H28.5Very low29.1Very low168 Ų168146.2 Ų146.278%0.77877%0.774SS**  -174.8109.7119.4-100.7-89.5000111.1
177F27.3Very low29.1Very low164 Ų164152.5 Ų152.572%0.71978%0.782SS**  trans38.8111.2149.4-59.7-94.1000121.9
178T25.1Very low29.1Very low133 Ų133155.1 Ų155.182%0.81679%0.786SS**  trans-90121.5146.4500000109.7
179T30.2Very low28.9Very low136 Ų136153.2 Ų153.283%0.83479%0.788SS**  trans-95.4105.716145.80000109.4
180S26.5Very low29Very low112 Ų112149 Ų14978%0.78379%0.787SS**  trans-75.1122.5160.4-510000108.5
181R28.6Very low28.9Very low203 Ų203152.6 Ų152.677%0.76679%0.787SS**  trans-115.9108.6161.5-168.4169.3178155.3-4.4107.8E183R181-E183 HydrophobicContact CG-CG 4.36Å; R181-E183 IonicContact CZ-OE1 3.83Å; R181-E183 IonicContact NE-OE1 2.82Å; R181-E183 PolarHBondContact NE-OE1 3.09Å; R181-E183 IonicContact NH2-OE1 3.52Å; R181-E183 PolarHBondContact NH2-OE1 2.83Å
182I28.5Very low29.1Very low152 Ų152153.9 Ų153.978%0.77979%0.785SS**  trans-72.3115.1163.9-66.1165.6000105.7
183E32.5Very low28.7Very low141 Ų141153.9 Ų153.966%0.65978%0.783SS**  trans-129.9108.1154.8-80.6179.7-178.500107.3R181R181-E183 HydrophobicContact CG-CG 4.36Å; R181-E183 IonicContact CZ-OE1 3.83Å; R181-E183 IonicContact NE-OE1 2.82Å; R181-E183 PolarHBondContact NE-OE1 3.09Å; R181-E183 IonicContact NH2-OE1 3.52Å; R181-E183 PolarHBondContact NH2-OE1 2.83Å
184Q29.7Very low28.9Very low175 Ų175154.8 Ų154.882%0.81878%0.78SS**  trans-62.6133.8156.3-67.8174.2-47.300107.1
185E32.9Very low28.8Very low181 Ų181153.2 Ų153.285%0.84678%0.778SS**  trans-172.8125.2131.4-103.7167.9-163.500112.7
186S32.1Very low29.1Very low99 Ų99148.2 Ų148.269%0.69277%0.773SS**  trans46.8109.5145.2550000121.4
187R27.8Very low29.1Very low237 Ų237146.3 Ų146.389%0.89477%0.773SS**  41.3122.2118.3-62.5179.1-179.2-165.9-0.2117.2
188I32.4Very low29.3Very low165 Ų165142.6 Ų142.685%0.84677%0.772SS**  -175.2115.1118.4-85.3145.1000108.5
189T25.7Very low29.7Very low122 Ų122142.3 Ų142.375%0.74878%0.776SS**  trans-84152.8157350000109.8
190P32.8Very low29.8Very low124 Ų124139.2 Ų139.281%0.80577%0.771SS**  trans-119.1113.7140.330-17.2000110.6
191L27.1Very low29.9Very low149 Ų149140.9 Ų140.978%0.7877%0.771SS**  trans-73.2136.9151.9-73.1162.9000107.5
192Y29.4Very low30.1Very low214 Ų214142.1 Ų142.184%0.83978%0.777SS**  trans-132107.2157.8-141.1-91.9000109.6
193T24.3Very low30.2Very low130 Ų130138.9 Ų138.980%0.79877%0.773SS**  trans-131.1118.6164.2460000107.1
194S31.2Very low30.1Very low76 Ų76143.5 Ų143.553%0.53179%0.785SS.*  trans-169.9112.9155.756.20000108
195V28.4Very low30.2Very low139 Ų139144.7 Ų144.784%0.84279%0.787SS**  76.3126.491171.60000109.2
196S30.4Very low30.1Very low93 Ų93145 Ų14565%0.6579%0.788SS**  cis-173150.123.1-117.90000112.1
197T27.2Very low30.1Very low128 Ų128146.2 Ų146.279%0.78579%0.794SS**  trans34.2128.8140.159.50000121.7
198A32.5Very low30.1Very low85 Ų85146.6 Ų146.670%0.70280%0.795SS**  168.1138.287.900000113.8
199S33.2Very low30Very low128 Ų128149.8 Ų149.890%0.89580%0.797SS**  trans62.7138149.757.60000119.7
200G32.2Very low30Very low71 Ų71148.7 Ų148.773%0.73279%0.794SS**  cis18015911.400000110.1
201N29.5Very low29.9Very low147 Ų147151.5 Ų151.579%0.78679%0.794SS**  trans-67.6168.3-167.8-63.1-57.2000116.1
202Y31.8Very low29.9Very low228 Ų228152.1 Ų152.189%0.89480%0.798SS**  153.6101128.3-84.3-73.7000109.1
203A31.3Very low30Very low84 Ų84148.3 Ų148.369%0.69479%0.79SS**  94.5107.178.100000114.7
204R29.6Very low30.2Very low238 Ų238151 Ų15190%0.89879%0.794SS**  trans40.7127.2143.4-60.8-177.7-170.5179.23.5120
205K32.5Very low30Very low201 Ų201158.7 Ų158.787%0.87481%0.811SS**  175.9127102.3-93.8169.2-176.71790111.6
206H30.2Very low30.2Very low187 Ų187160.3 Ų160.387%0.86681%0.81SS**  trans-71.4157.3157.3-77.4-76.2000110.1
207P33Very low30.2Very low124 Ų124165 Ų16581%0.80582%0.818SS**  -140150.111132.9-17.7000114.3
208R27.4Very low30.2Very low245 Ų245167.7 Ų167.793%0.92582%0.82SS**  trans-59.5141.6166.1-66.6-178.8172.5-163.9-2.3110.8
209R30.1Very low30.2Very low233 Ų233169 Ų16988%0.87982%0.821SS**  trans-154.3128.9144.7-106.9174.2-169.4-172.61.8110.7
210S25.7Very low29.9Very low98 Ų98173.8 Ų173.869%0.68582%0.821SS**  trans-53.2138.316946.50000113
211F30.5Very low29.7Very low184 Ų184178.8 Ų178.881%0.80783%0.825SS**  trans-146.8110.7151.6-94.3-80.1000109I213F211-I213 HydrophobicContact CD1-CD1 4.48Å
212D28.1Very low29.7Very low161 Ų161176.2 Ų176.286%0.86182%0.819SS**  trans-71118.3156.2-68.6-59.2000107.8
213I30.2Very low29.5Very low134 Ų134176.9 Ų176.969%0.68782%0.82SS**  trans-144.2106.4158.2-59.1-175.9000109F211F211-I213 HydrophobicContact CD1-CD1 4.48Å
214E29.2Very low29.4Very low187 Ų187179.2 Ų179.287%0.87482%0.819SS**  trans49.4133.4139.1-66-178.6140.300123.4
215R27.3Very low29.4Very low237 Ų237175.3 Ų175.389%0.89482%0.815SS**  trans-59.8126.9169.4-66.7167.6173.4176.8-2.3111.1
216E32Very low29.2Very low173 Ų173174.5 Ų174.581%0.80881%0.814SS**  trans-120.3116.7147.7-74-152.815400110.8
217K30.6Very low29.2Very low192 Ų192173.3 Ų173.384%0.83581%0.809SS**  trans-78.7126.2169.6-78.1173.5171.4178.10108.3
218F27.5Very low29.1Very low184 Ų184173 Ų17381%0.80781%0.807SS**  trans-119.6118.6156.3-88.5-83.6000109.4
219P31.5Very low29.3Very low113 Ų113166.8 Ų166.873%0.73480%0.801SS**  trans-92.4122171.333.2-24.8000109.7Q221P219-Q221 PolarHBondContact O-N 3.05Å
220Y27.4Very low29.3Very low228 Ų228163.2 Ų163.289%0.89480%0.798SS**  trans-83.798.8168.6-156.3-94.4000108.9S222Y220-S222 PolarHBondContact O-N 3.33Å
221Q28.3Very low29.4Very low177 Ų177164.3 Ų164.383%0.82780%0.804SS**  trans-73.8111.2167.2-79.3-178.6-26.600109P219P219-Q221 PolarHBondContact O-N 3.05Å
222S29.2Very low29.3Very low92 Ų92160.6 Ų160.664%0.64380%0.799SS**  trans-93.8111.9161.643.50000108.7Y220 I224Y220-S222 PolarHBondContact O-N 3.33Å; S222-I224 PolarHBondContact O-N 3.05Å
223R28.1Very low29.4Very low243 Ų243164.3 Ų164.392%0.91780%0.802SS**  trans-65.1110.3166.2-77.2179.2-176.3178.60.6108
224I28.8Very low29.3Very low132 Ų132166.2 Ų166.268%0.67781%0.808SS**  trans-87114164.2-63.6174.8000106.2S222 E226S222-I224 PolarHBondContact O-N 3.05Å; I224-E226 PolarHBondContact O-N 3.29Å
225L29.9Very low29.3Very low157 Ų157166.9 Ų166.982%0.82281%0.809SS**  trans-63111.1162.9-80.8153.9000107.7H227L225-H227 PolarHBondContact O-N 3.27Å
226E28Very low29.6Very low183 Ų183164 Ų16486%0.85581%0.81SS**  trans-77.3115.5175-67.5-166.7156.800110.2I224I224-E226 PolarHBondContact O-N 3.29Å
227H30.5Very low29.7Very low162 Ų162165 Ų16575%0.7581%0.811SS**  trans-104.5125.7159.2-76.1-78.7000108.1L225 S229L225-H227 PolarHBondContact O-N 3.27Å; H227-S229 PolarHBondContact O-N 3.46Å
228P31.6Very low29.8Very low119 Ų119164 Ų16477%0.77381%0.81SS**  trans-81.7111.7-17931.3-29.6000109.7I230P228-I230 PolarHBondContact O-N 3.3Å
229S30.5Very low30.1Very low114 Ų114165 Ų16580%0.79782%0.817SS**  trans-87.3104.7170-49.50000109.5H227H227-S229 PolarHBondContact O-N 3.46Å
230I30.8Very low30Very low157 Ų157164.5 Ų164.581%0.80582%0.817SS**PPolyproline II helixtrans-65.8123.4178.7-64.4163.7000110.1P228P228-I230 PolarHBondContact O-N 3.3Å
231C26.6Very low30.4Very low121 Ų121158.8 Ų158.882%0.81881%0.81SS**PPolyproline II helixtrans-94126.8165.6-77.60000109.4
232P29.5Very low30.5Very low107 Ų107156.7 Ų156.770%0.69581%0.809SS**PPolyproline II helixtrans-92.8126.117333.2-26000109.6
233Y29.1Very low30.8Very low238 Ų238157.5 Ų157.593%0.93382%0.815SS**  trans173.997.5141.4-102.2-72.9000109.6
234E29.8Very low31.1Very low174 Ų174151.3 Ų151.381%0.81380%0.804SS**  trans-150.5109.3164.7-151.2166.5-152.200108.9
235F28.5Very low31.3Very low202 Ų202152.1 Ų152.189%0.88681%0.81SS**  trans-151.8110.8158.7-99.8-77.7000107.5
236L33.3Very low31.4Very low175 Ų175149.4 Ų149.492%0.91680%0.802SS**  trans162.987.2139.6-84.3162.4000109.5
237K35.1Very low31.7Very low194 Ų194147 Ų14784%0.84380%0.8SS**  trans-106.9112151.1-84.3-179.3176.1177.30105.7
238Q31.1Very low31.9Very low172 Ų172145.6 Ų145.680%0.80480%0.803SS**  60.3104.997.4-94.5-173.9-20.600113.4
239E34Very low31.8Very low205 Ų205148.7 Ų148.796%0.95880%0.804SS**  trans-108.6122.9140-72-167.8169.400108.3
240S30.2Very low32Very low103 Ų103150.1 Ų150.172%0.7281%0.808SS**  trans-107.7130172.953.90000108.8
241S35.8Very low31.9Very low107 Ų107147 Ų14775%0.74880%0.801SS**  trans-140.195.8152.4490000107.2
242T30.7Very low32.3Very low134 Ų134151.2 Ų151.282%0.82281%0.805SS**  59.5104.2105.658.60000114.1
243S34Very low32.3Very low108 Ų108151.9 Ų151.976%0.75581%0.807SS**  171.5115.4121.5-178.80000111.1
244T34.6Very low32.6Very low114 Ų114148.4 Ų148.470%0.69980%0.803SS**  trans-10.8137.4142.145.70000115.2
245D33Very low32.8Very low148 Ų148144.6 Ų144.679%0.79180%0.796SS**  cis-161.8164.245.3-93.9-40.7000113.6
246P33.5Very low32.9Very low101 Ų101141 Ų14166%0.65679%0.793SS**  trans-98.4-176-17739.4-32.5000113.9
247T34.6Very low32.9Very low133 Ų133141.7 Ų141.782%0.81679%0.794SS**  trans96.9125.6178.772.90000113.2
248T34.6Very low32.8Very low132 Ų132142.2 Ų142.281%0.8180%0.799SS**  cis-162.8143.346.7-47.70000111.1
249F29Very low32.9Very low183 Ų183137.6 Ų137.680%0.80380%0.798SS**  trans-49.3145.7167.7-122.5-112.2000113.7
250T35Very low33Very low144 Ų144137.4 Ų137.488%0.88379%0.793SS**  -169122.5124.424.30000111
251S28Very low33Very low93 Ų93137.4 Ų137.465%0.6580%0.8SS**  trans-70.9141.9174.753.50000112.6
252K35.1Very low32.9Very low209 Ų209139.3 Ų139.391%0.90980%0.8SS**  trans-123.4110.7151.5-100.6-179.8179.1175.70110.5
253T30.2Very low33.2Very low120 Ų120142.8 Ų142.874%0.73680%0.804SS**  trans-57132.1168.6-48.10000111.7
254I35.4Very low33.1Very low166 Ų166144.7 Ų144.785%0.85181%0.805SS**  trans-132.6122.6154.5-60.6-179.7000107.4
255S32.8Very low33Very low94 Ų94144.9 Ų144.966%0.65781%0.808SS**  trans-64.1161.9-175.2-580000114.4
256P31.9Very low32.9Very low126 Ų126144.1 Ų144.182%0.81881%0.809SS**  trans-85.3144.5-172.534.5-31.3000112
257M33.3Very low32.9Very low190 Ų190144.2 Ų144.294%0.93681%0.809SS**  trans-107128.4165.5-68.8-15195.600110.7
258E32.3Very low32.7Very low205 Ų205146.8 Ų146.896%0.95881%0.809SS**  trans-60.3135.4173.5-64.4170138.400111.4
259G33.7Very low32.7Very low75 Ų75146.5 Ų146.577%0.77380%0.801SS**  trans-155.289.1-179.800000111.9
260K35.4Very low32.8Very low200 Ų200144.9 Ų144.987%0.8780%0.797SS**  trans7.5123.4163.1-80.4171.2174.5172.40119.1
261A29.9Very low32.8Very low104 Ų104143.3 Ų143.386%0.8679%0.789SS**  trans-56.9127.2166.400000112.9
262I35.2Very low33Very low147 Ų147146.5 Ų146.575%0.75479%0.793SS**  trans-108.8104.1160.4-60.2175.7000106.3L264I262-L264 HydrophobicContact CG2-CG 4.37Å; I262-L264 PolarHBondContact O-N 3.15Å
263K35.4Very low32.7Very low207 Ų207145 Ų14590%0.979%0.791SS**  trans-68107.9168.6-113.9175.4177.3176.90107.4
264L32Very low32.8Very low147 Ų147148.2 Ų148.277%0.7779%0.792SS**PPolyproline II helixtrans-94133.6164.2-73.8171.3000108.9I262 V266I262-L264 HydrophobicContact CG2-CG 4.37Å; I262-L264 PolarHBondContact O-N 3.15Å; L264-V266 PolarHBondContact O-N 3.37Å
265P33Very low32.7Very low119 Ų119145.9 Ų145.977%0.77379%0.787SS**PPolyproline II helixtrans-73.5128.9-172.828.9-31.8000110.7
266V31.4Very low32.6Very low132 Ų132150 Ų15080%0.880%0.798SS**PPolyproline II helixtrans-65.5126.8163.8-177.60000107.2L264 F268L264-V266 PolarHBondContact O-N 3.37Å; V266-F268 PolarHBondContact O-N 2.83Å
267P33.2Very low32.7Very low103 Ų103153.6 Ų153.667%0.66980%0.801SS**  trans-70.2109.5174.227.8-29.3000108.1I269P267-I269 PolarHBondContact O-N 3.28Å
268F30.1Very low32.6Very low186 Ų186150.8 Ų150.882%0.81679%0.794SS**  trans-6598.2167.3-149.6-95.6000107V266 E270V266-F268 PolarHBondContact O-N 2.83Å; F268-E270 HydrophobicContact CD1-CG 4.02Å; F268-E270 HydrophobicContact CE1-CG 4.4Å; F268-E270 PolarHBondContact O-N 3.03Å
269I35.4Very low32.6Very low126 Ų126150.2 Ų150.265%0.64679%0.791SS**  trans-83.194.5170.7-59.8176000105.8P267P267-I269 PolarHBondContact O-N 3.28Å
270E30.3Very low32.8Very low150 Ų150154.4 Ų154.470%0.70179%0.788SS**  trans-54.5134.6165.9-72.4-178.1150.600109.3F268 E272F268-E270 HydrophobicContact CD1-CG 4.02Å; F268-E270 HydrophobicContact CE1-CG 4.4Å; F268-E270 PolarHBondContact O-N 3.03Å; E270-E272 PolarHBondContact O-N 3.3Å
271P35.3Very low32.7Very low110 Ų110153 Ų15371%0.71479%0.785SS**  trans-68.6119.816727.7-28.4000107.7M273P271-M273 PolarHBondContact O-N 2.81Å
272E31Very low32.9Very low161 Ų161153.3 Ų153.375%0.75278%0.781SS**  trans-55.3103.4164.9-80.2-165.8156.900108.6E270 Y274E270-E272 PolarHBondContact O-N 3.3Å; E272-Y274 PolarHBondContact O-N 3.45Å
273M30.4Very low32.8Very low176 Ų176153.9 Ų153.987%0.86778%0.78SS**  trans-65.696.7167.6-79.117553.100108P271P271-M273 PolarHBondContact O-N 2.81Å
274Y32.2Very low32.8Very low189 Ų189152.8 Ų152.874%0.74178%0.783SS**  trans-68.4126.8159.1-82.4-87000108.5E272 M276E272-Y274 PolarHBondContact O-N 3.45Å; Y274-M276 PolarHBondContact O-N 3.38Å; Y274-M276 VanDerWaalsContact O-N 3.09Å
275P33.6Very low33.2Very low116 Ų116152.8 Ų152.875%0.75378%0.779SS**  trans-69111.8-176.426.7-31.6000109.4K277P275-K277 PolarHBondContact O-N 3.22Å
276M28.9Very low33.5Very low182 Ų182155.3 Ų155.390%0.89778%0.781SS**  trans-68.3113159.1-79.4-148.8113.400107.6Y274 T278Y274-M276 PolarHBondContact O-N 3.38Å; Y274-M276 VanDerWaalsContact O-N 3.09Å; M276-T278 PolarHBondContact O-N 3.25Å
277K35.2Very low33.9Very low201 Ų201157.4 Ų157.487%0.87478%0.782SS**  trans-56110.5167.4-71.6-178.6177.2-178.20108.5P275 H279P275-K277 PolarHBondContact O-N 3.22Å; K277-H279 PolarHBondContact O-N 2.73Å
278T31.2Very low34.1Very low130 Ų130158 Ų15880%0.79879%0.789SS**  trans-66.5110.8164.648.90000108.4M276 K280M276-T278 PolarHBondContact O-N 3.25Å; T278-K280 PolarHBondContact O-N 3.46Å
279H32.1Very low34.2Very low193 Ų193158.4 Ų158.489%0.89479%0.793SS**  trans-80.4103.6164.5-127.9-78.6000107.7K277K277-H279 PolarHBondContact O-N 2.73Å
280K38Very low34.3Very low163 Ų163158.9 Ų158.971%0.70980%0.801SS**  trans-75.7137.1165.2-105.8-177.7173.2-174.30109.3T278T278-K280 PolarHBondContact O-N 3.46Å
281E32.6Very low34.6Very low170 Ų170160.1 Ų160.179%0.79481%0.807SS**  trans41.5110.8141.5-65.9166.7154.900118.6
282S33.8Very low34.5Very low112 Ų112165 Ų16578%0.78382%0.818SS**  trans-148.2109.4144.264.10000111.1
283H33.4Very low34.5Very low158 Ų158163.1 Ų163.173%0.73182%0.817SS**  trans59.193.7141.4-102.2-92000118.9Q285H283-Q285 PolarHBondContact CE1-OE1 3.12Å; H283-Q285 VanDerWaalsContact CE1-OE1 3.3Å
284L34.6Very low34.9Very low184 Ų184163 Ų16396%0.96382%0.818SS**  trans-99.799.4144.8-161.177.1000107.4
285Q41.1Very low34.9Very low148 Ų148159.2 Ų159.269%0.69282%0.82SS**  trans-149.1100.5169-161.5158.811.900108.8H283H283-Q285 PolarHBondContact CE1-OE1 3.12Å; H283-Q285 VanDerWaalsContact CE1-OE1 3.3Å
286Q39.5Very low35.1Very low172 Ų172159.4 Ų159.480%0.80482%0.824SS**  trans-168.9118.4142.2-103.7162.218.100110.4
287Q39.4Very low35.2Very low175 Ų175156.6 Ų156.682%0.81882%0.817SS**  trans70.7101.7142.1-61175.5-0.200119.2
288S37.1Very low35.5Very low117 Ų117156.3 Ų156.382%0.81882%0.819SS**  -164.6110.3115.936.40000109.8
289H33.8Very low35.9Very low193 Ų193159.7 Ų159.789%0.89482%0.823SS**  trans-75118162.5-92.8-107.4000108
290T37.2Very low36Very low136 Ų136156.5 Ų156.583%0.83482%0.819SS**  trans-149.2125.114636.90000109.1
291Q36.5Very low35.8Very low177 Ų177157.2 Ų157.283%0.82783%0.829SS**  trans-64.5144.1-177-63.3160.3-42.800111.3
292F33.7Very low35.9Very low212 Ų212157.1 Ų157.193%0.9383%0.829SS**  trans-156.1110.6135.9-96.9-73.3000109.7
293T30.7Very low35.8Very low121 Ų121162.6 Ų162.674%0.74283%0.833SS**  trans-58.4139164.928.40000112
294I38.7Very low35.7Very low173 Ų173162.4 Ų162.489%0.88783%0.832SS**  trans-156.3126.5132.1-85.5137.1000108.1
295S32.3Very low35.7Very low110 Ų110163.5 Ų163.577%0.76982%0.824SS**  trans-80.9143.1-179.5-31.20000111.4
296S36.7Very low35.4Very low120 Ų120161.7 Ų161.784%0.83983%0.828SS**  trans-173.6112.6143.9175.20000111.1
297T32.1Very low35Very low123 Ų123159.7 Ų159.776%0.75583%0.827SS**  trans-62.3143.1171.849.90000113.4
298Q40.5Very low35.1Very low195 Ų195157.2 Ų157.291%0.91183%0.826SS**  177.3155.1122-94.117710.600113.1
299K39.5Very low34.9Very low202 Ų202161 Ų16188%0.87883%0.831SS**  trans-67.9164-156.1-78170.6170.1177.30118.3
300P34.9Very low34.9Very low125 Ų125155.1 Ų155.181%0.81282%0.823SS**  trans-92.4155.1174.737.5-31.6000113.4
301L34Very low34.8Very low179 Ų179154.9 Ų154.994%0.93782%0.824SS**  trans-130.7118.3168.4-99.2162.8000110
302Q34.2Very low34.4Very low167 Ų167154.1 Ų154.178%0.7882%0.823SS**  trans-72.1143.2166.9-79177-44.500110.9
303R31.6Very low34.4Very low228 Ų228153.2 Ų153.286%0.8682%0.82SS**  trans-134.8120.9153-91.2-173.7179.2173.60109.8
304H32.5Very low34.5Very low154 Ų154155.5 Ų155.571%0.71382%0.822SS**  trans-75.6142.4167.5-83.3-97.1000111.3
305Y33.8Very low34.1Very low206 Ų206159.3 Ų159.381%0.80883%0.825SS**  trans-153.498.9150.4-78.2-78.7000105.4
306S35.8Very low34.1Very low110 Ų110159.1 Ų159.177%0.76982%0.821SS**  57.7104.485.7-56.10000114.5
307V31Very low33.7Very low131 Ų131161.2 Ų161.279%0.79482%0.823SS**  trans-82.1157.3174177.50000110.5
308P40.4Very low33.8Very low122 Ų122163 Ų16379%0.79283%0.826SS**  trans-122.3134.214629.5-14.9000112.7
309E32.6Very low33.3Very low196 Ų196163 Ų16392%0.91682%0.819SS**  trans-72.4148.3173.6-61.9-176.3152.100112.1
310G33.8Very low32.8Very low70 Ų70160.8 Ų160.872%0.72281%0.812SS**  trans-175.1151.3171.200000112.1
311P36.1Very low32.8Very low132 Ų132161.8 Ų161.886%0.85781%0.809SS**  -99.7162.3-119.935.3-35.7000116.5
312I27.6Very low32.6Very low160 Ų160158 Ų15882%0.82180%0.797SS**  trans-57.8127.2172.6-60.4158.2000110.9
313F34Very low32.4Very low194 Ų194158.2 Ų158.285%0.85180%0.798SS**  trans-150.6147.3150.5-107.4-79.3000111.9
314E32Very low32.4Very low169 Ų169152.4 Ų152.479%0.7979%0.79SS**  trans-63.6150.8-162.6-59.5169137.800115.2
315R31.5Very low32.3Very low252 Ų252154.6 Ų154.695%0.95180%0.797SS**  trans-106.7115.4174.1-137.6-178.3-169.2174.13.1109.3
316P32.2Very low32.2Very low107 Ų107150.3 Ų150.370%0.69580%0.798SS**  trans-99.7156163.730.1-18.6000111.8
317D27.6Very low31.9Very low163 Ų163150 Ų15087%0.87280%0.801SS**  trans-49.8136179.5-56.9-63.6000114.2
318I34.5Very low31.9Very low160 Ų160149.5 Ų149.582%0.82180%0.801SS**  trans-132.8114.2167.6-62-179.5000110.1
319Y30.4Very low31.4Very low196 Ų196148.5 Ų148.577%0.76980%0.797SS**  trans-64.4151.9160.5-92-94.2000112.1
320H29.3Very low31.2Very low156 Ų156148.5 Ų148.572%0.72280%0.797SS**  trans55.4109.3154.1-76.9-71000119.3
321I34Very low31.1Very low146 Ų146152.9 Ų152.975%0.74980%0.798SS**  trans-128.3109.4138.4-60.1-179.9000108.5
322S28.8Very low30.7Very low99 Ų99153.5 Ų153.569%0.69279%0.794SS**  trans-68.9127.7168.3-34.60000109.2
323H31.8Very low30.7Very low171 Ų171155.8 Ų155.879%0.79279%0.794SS**  trans-109.9131162.3-81.1-71.5000109.9
324P30.9Very low30.5Very low106 Ų106154.6 Ų154.669%0.68880%0.797SS**  trans-89.1149.3-174.134.9-32.5000112.8
325K30Very low30.5Very low200 Ų200152.8 Ų152.887%0.8779%0.791SS**  trans60.3106.5147-65.7178-179.7-178.80119.3
326S32.5Very low30.3Very low117 Ų117146.2 Ų146.282%0.81878%0.781SS**  -159.3119.9125.539.70000109.5
327A28.6Very low30Very low103 Ų103147.3 Ų147.385%0.85179%0.79SS**  trans-72.5148.5173.600000110.4
328P31.4Very low30.2Very low121 Ų121145.2 Ų145.279%0.78679%0.788SS**  trans-123.7133.5140.620.6-2.5000111.9
329S29.4Very low29.9Very low100 Ų100145.4 Ų145.470%0.69978%0.783SS**  trans-16.1137.7163.153.10000119.1Q331S329-Q331 PolarHBondContact O-N 2.99Å
330E28.5Very low29.7Very low196 Ų196142.8 Ų142.892%0.91678%0.782SS**  trans-45120.8154.8-73.1171.1135.100111.6
331Q31.9Very low29.7Very low162 Ų162145.5 Ų145.576%0.75779%0.787SS**  trans-144.2106.5156.4-92.7179.5-13.900108.5S329S329-Q331 PolarHBondContact O-N 2.99Å
332D27.5Very low29.5Very low145 Ų145146.9 Ų146.978%0.77579%0.788SS**  trans30.997.9143.1-63.2-39.2000118.5
333Y29.2Very low29.4Very low209 Ų209149.2 Ų149.282%0.8279%0.793SS**  trans-135.877.5149.7-78.1-73.4000110.7I335Y333-I335 HydrophobicContact CD1-CD1 3.8Å; Y333-I335 HydrophobicContact CD1-CG1 4.13Å; Y333-I335 HydrophobicContact CG-CD1 4.45Å; Y333-I335 PolarHBondContact O-N 3.39Å
334N27.9Very low29.2Very low168 Ų168146.2 Ų146.290%0.89879%0.786SS**  trans-67.5103.9150.3-93.7-39.7000107.7
335I32.6Very low28.9Very low131 Ų131150.7 Ų150.767%0.67280%0.795SS**  trans-124.2125.8169.5-57.9179.5000108.2Y333Y333-I335 HydrophobicContact CD1-CD1 3.8Å; Y333-I335 HydrophobicContact CD1-CG1 4.13Å; Y333-I335 HydrophobicContact CG-CD1 4.45Å; Y333-I335 PolarHBondContact O-N 3.39Å
336P28.6Very low28.8Very low114 Ų114146 Ų14674%0.7479%0.788SS**  trans-70.6145.8-170.528.7-33.5000112S338P336-S338 PolarHBondContact O-N 2.98Å
337C24.1Very low28.5Very low131 Ų131147 Ų14789%0.88578%0.782SS**  trans-49.4116.2173.9-168.80000111.1
338S32.5Very low28.6Very low118 Ų118146.3 Ų146.383%0.82577%0.771SS**  trans-115.9132.7167.4-168.40000110P336P336-S338 PolarHBondContact O-N 2.98Å
339K28.2Very low28.4Very low165 Ų165148.4 Ų148.472%0.71777%0.771SS**  trans-71.3164.2-166.9-66.8170.5169.41720112.7
340D27.4Very low28.6Very low140 Ų140149 Ų14975%0.74978%0.775SS**  trans7491.3153.8-47.8-33.9000118.8
341Y27.7Very low28.8Very low213 Ų213144.7 Ų144.784%0.83577%0.766SS**  trans-145.884.7149.6-107-86000109.6
342F29.7Very low28.9Very low175 Ų175148.1 Ų148.177%0.76877%0.773SS**  trans-107.594.6156.3-99.8-87.4000107.1V344F342-V344 VanDerWaalsContact C-N 3.28Å; F342-V344 HydrophobicContact CD1-CG2 4.19Å; F342-V344 PolarHBondContact O-N 3.42Å
343D26.5Very low29.1Very low149 Ų149147.3 Ų147.380%0.79778%0.775SS**  trans-82.584.2160.5-97.3-26000107.6
344V27.8Very low29.3Very low107 Ų107145.1 Ų145.165%0.64878%0.777SS**  trans-113130.9151.9-179.40000104.7F342 S346F342-V344 VanDerWaalsContact C-N 3.28Å; F342-V344 HydrophobicContact CD1-CG2 4.19Å; F342-V344 PolarHBondContact O-N 3.42Å; V344-S346 PolarHBondContact O-N 3.44Å
345F25.8Very low29.8Very low200 Ų200142.6 Ų142.688%0.87777%0.772SS**SBendtrans-9.7118.4167.7-89.6-102.4000114.8
346S27.2Very low29.6Very low101 Ų101142.7 Ų142.771%0.70678%0.779SS**SBendtrans136.1127.5148.1-61.70000113V344V344-S346 PolarHBondContact O-N 3.44Å
347I26.8Very low29.9Very low138 Ų138146.5 Ų146.571%0.70879%0.787SS**  trans58.488.1147.6-48.9159.2000115.8Q349I347-Q349 HydrophobicContact CG2-CG 3.97Å; I347-Q349 PolarHBondContact O-N 3.3Å
348S29.2Very low30.2Very low89 Ų89146.9 Ų146.962%0.62279%0.785SS**  trans-91.492.9159.864.80000109.1S350S348-S350 PolarHBondContact O-N 3.4Å
349Q28.4Very low30.2Very low165 Ų165151 Ų15177%0.77179%0.789SS**  trans-63.3118.4161.5-64.2-1719.100107.9I347I347-Q349 HydrophobicContact CG2-CG 3.97Å; I347-Q349 PolarHBondContact O-N 3.3Å
350S33.7Very low30.3Very low114 Ų114148.5 Ų148.580%0.79779%0.788SS**  trans-126.186.5165.470.20000108.6S348S348-S350 PolarHBondContact O-N 3.4Å
351S31.7Very low30.5Very low104 Ų104147.2 Ų147.273%0.72779%0.789SS**  trans-86.1110.4169.8-38.40000108.4
352R34.7Very low30.7Very low235 Ų235146.8 Ų146.889%0.88779%0.788SS**  trans-140.6129148.8-80.2-166.5-176.7-154.2-0.4107.8
353P30.8Very low30.6Very low128 Ų128147 Ų14783%0.83179%0.793SS**PPolyproline II helixtrans-76.4145.9-174.630.8-31.7000111.4
354L34.1Very low31.2Very low163 Ų163145.2 Ų145.285%0.85379%0.788SS**PPolyproline II helixtrans-67.9138.3175-106.366.5000111.2
355S37.8Very low31.2Very low115 Ų115146.9 Ų146.980%0.80479%0.793SS**PPolyproline II helixtrans-73.6133149.655.10000109
356T29.7Very low31.7Very low132 Ų132147.9 Ų147.981%0.8179%0.792SS**PPolyproline II helixtrans-56.8123.2-173.147.80000114.7
357E35.5Very low32.1Very low194 Ų194148.1 Ų148.191%0.90779%0.794SS**  trans-138.7125142.6-73.6-159.1167.200109.9
358T29.3Very low32.6Very low139 Ų139146.3 Ų146.385%0.85380%0.8SS**  trans-65.3121.1-174.510.30000111.3
359F33.1Very low32.9Very low204 Ų204146.4 Ų146.490%0.89581%0.806SS**  trans-136.2106.8160.9-134.1-92.2000110.2S361F359-S361 PolarHBondContact O-N 3.23Å
360T29.8Very low33.3Very low114 Ų114144.5 Ų144.570%0.69981%0.808SS**  trans-62111.4174.339.60000109.6
361S31.2Very low33.2Very low112 Ų112144.1 Ų144.178%0.78381%0.805SS**  trans-101.7106168.3-175.60000108.8F359 M363F359-S361 PolarHBondContact O-N 3.23Å; S361-M363 PolarHBondContact O-N 2.88Å
362Y31.4Very low33.4Very low204 Ų204147.2 Ų147.280%0.881%0.813SS**PPolyproline II helixtrans-55.3118.9167-79.6-98000110.3
363M29.3Very low33.2Very low179 Ų179141 Ų14188%0.88281%0.806SS**PPolyproline II helixtrans-73.9124.1155.8-69.6-75.8-172.300106.5S361S361-M363 PolarHBondContact O-N 2.88Å
364V37.5Very low33.5Very low112 Ų112141.5 Ų141.568%0.67981%0.807SS**PPolyproline II helixtrans-101.5116.2168.7176.60000106.6Y366V364-Y366 HydrophobicContact CG1-CD2 4.19Å; V364-Y366 HydrophobicContact CG1-CE2 4.32Å; V364-Y366 PolarHBondContact O-N 2.96Å
365D29.2Very low33.5Very low143 Ų143142.1 Ų142.177%0.76581%0.805SS**PPolyproline II helixtrans-53.4124171.5-64.3-48.4000110.5
366Y36.5Very low33.5Very low220 Ų220142 Ų14286%0.86380%0.801SS**  trans-129.685.7161-105.5-86.3000109.3V364V364-Y366 HydrophobicContact CG1-CD2 4.19Å; V364-Y366 HydrophobicContact CG1-CE2 4.32Å; V364-Y366 PolarHBondContact O-N 2.96Å
367S34.5Very low33.6Very low106 Ų106138 Ų13874%0.74179%0.787SS**  trans-76.6147.8160.4-57.50000109.8
368A37.7Very low33.6Very low101 Ų101135.1 Ų135.184%0.83579%0.785SS**  trans90.596.7169.300000117.5
369A36.2Very low33.9Very low91 Ų91132.8 Ų132.875%0.75277%0.774SS**  trans-72.7162.7151.700000110.3
370P36.1Very low34Very low124 Ų124128.7 Ų128.781%0.80577%0.766SS**  -138.8146.794.332.4-16.1000115.5
371S32.2Very low34.6Very low106 Ų106129 Ų12974%0.74176%0.763SS**  trans-15.5126.716150.40000119.2
372L35.7Very low34.9Very low169 Ų169131.7 Ų131.789%0.88577%0.765SS**  -155.6133.1128-144.669.9000111.5
373S30.6Very low35.7Very low105 Ų105128.3 Ų128.373%0.73475%0.752SS**  trans-54.6124-177.942.30000115.6
374T36.9Very low36.6Very low139 Ų139127 Ų12785%0.85374%0.741SS**  trans-155124.7150.3-49.60000109.2
375E34.2Very low36.8Very low176 Ų176125.7 Ų125.782%0.82273%0.734SS**  trans-33.7128.5174.2-65.5-73.2138.300114.5G377E375-G377 PolarHBondContact O-N 2.89Å; E375-G377 VanDerWaalsContact O-N 3.11Å
376P36.9Very low37.4Very low112 Ų112126.1 Ų126.173%0.72773%0.729SS**  trans-81.795.8170.731.9-27.3000109.2
377G32Very low37.5Very low49 Ų49121 Ų12151%0.50572%0.721SS.*  trans-53.6161.9154.800000110.5E375 S379E375-G377 PolarHBondContact O-N 2.89Å; E375-G377 VanDerWaalsContact O-N 3.11Å; G377-S379 PolarHBondContact O-N 3.48Å
378P35.3Very low37.7Very low133 Ų133120.4 Ų120.486%0.86471%0.714SS**SBendtrans-55.3104.9-166.224.2-33.6000110.5T380P378-T380 PolarHBondContact O-N 3.38Å
379S35.5Very low37.7Very low89 Ų89121.1 Ų121.162%0.62271%0.713SS**  trans-52.4114.9-176.4-650000108.9G377 L381G377-S379 PolarHBondContact O-N 3.48Å; S379-L381 VanDerWaalsContact C-N 3.3Å; S379-L381 PolarHBondContact O-N 3.1Å
380T34.9Very low37.7Very low119 Ų119123.5 Ų123.573%0.7372%0.719SS**  trans-59.497.9171.5-65.70000106.5P378 M382P378-T380 PolarHBondContact O-N 3.38Å; T380-M382 VanDerWaalsContact C-N 3.3Å; T380-M382 HydrophobicContact CG2-CE 4.5Å; T380-M382 PolarHBondContact O-N 3.13Å
381L41.8Very low37.8Very low120 Ų120123.6 Ų123.663%0.62872%0.717SS**  trans-65.593.5178.9-69.3178.1000108.5S379 Y383S379-L381 VanDerWaalsContact C-N 3.3Å; S379-L381 PolarHBondContact O-N 3.1Å; L381-Y383 PolarHBondContact O-N 3.23Å
382M38.3Very low38.1Very low169 Ų169125.1 Ų125.183%0.83372%0.722SS**  trans-66.297.4164.2-70.7-83.6176.400106.9T380 K384T380-M382 VanDerWaalsContact C-N 3.3Å; T380-M382 HydrophobicContact CG2-CE 4.5Å; T380-M382 PolarHBondContact O-N 3.13Å; M382-K384 PolarHBondContact O-N 2.91Å
383Y48.2Very low38.7Very low132 Ų132123.2 Ų123.252%0.51872%0.717SS.*  trans-71.4118.217049.9-91.7000107.9L381 T385 Y410 P424L381-Y383 PolarHBondContact O-N 3.23Å; Y383-T385 HydrophobicContact CD2-CG2 4.14Å; Y383-T385 HydrophobicContact CE2-CG2 4.16Å; Y383-T385 PolarHBondContact O-N 3.5Å; Y383-Y410 HydrophobicContact CD2-CD1 4.2Å; Y383-Y410 AromaticContact CD2-CE1 3.62Å; Y383-Y410 HydrophobicContact CD2-CE1 3.62Å; Y383-Y410 AromaticContact CE2-CE1 4Å; Y383-Y410 HydrophobicContact CE2-CE1 4Å; Y383-Y410 HydrophobicContact CG-CE1 4.36Å; Y383-P424 HydrophobicContact CE1-CB 4.45Å
384K49Very low39.1Very low152 Ų152123.9 Ų123.966%0.66172%0.719SS**  trans-72.6102.5-177.2-157.5170-175.71770109.2M382 F386M382-K384 PolarHBondContact O-N 2.91Å; K384-F386 HydrophobicContact CD-CE2 4.45Å
385T41.1Very low38.9Very low85 Ų85123.3 Ų123.352%0.52172%0.721SS.*  trans-75.1120.5168.3400000109.4Y383 Y410Y383-T385 HydrophobicContact CD2-CG2 4.14Å; Y383-T385 HydrophobicContact CE2-CG2 4.16Å; Y383-T385 PolarHBondContact O-N 3.5Å; T385-Y410 HydrophobicContact CG2-CE1 4.42Å
386F41.1Very low39.3Very low151 Ų151120.3 Ų120.366%0.66272%0.719SS**  trans-85.8117.7161-88-93.3000108.9K384K384-F386 HydrophobicContact CD-CE2 4.45Å
387T38.7Very low39.4Very low114 Ų114120.5 Ų120.570%0.69972%0.723SS**  trans-94.6114.1165.149.40000107.8S389T387-S389 PolarHBondContact O-N 3.37Å
388P39.8Very low39.9Very low93 Ų93125.3 Ų125.360%0.60474%0.743SS**  trans-70.3129.9171.326.9-29.2000109.3
389S36.6Very low40.1Very low115 Ų115129.7 Ų129.780%0.80474%0.742SS**  trans-58.3133.2172.4-57.50000110.2T387 T391T387-S389 PolarHBondContact O-N 3.37Å; S389-T391 PolarHBondContact O-N 3.44Å
390T36Very low40Very low142 Ų142133.6 Ų133.687%0.87175%0.751SS**  trans-60.1111.3-17844.40000112.2
391T39Very low40.3Very low125 Ų125134 Ų13477%0.76776%0.758SS**  trans-103.7114.9158.8-510000107.9S389 V393S389-T391 PolarHBondContact O-N 3.44Å; T391-V393 PolarHBondContact O-N 2.79Å
392T38.6Very low40.4Very low138 Ų138131.6 Ų131.685%0.84776%0.762SS**  trans-54.1120.2174.432.90000111.9
393V48.8Very low40.6Very low129 Ų129131.4 Ų131.478%0.78276%0.759SS**  trans-136129.6163.4-158.90000108.3T391T391-V393 PolarHBondContact O-N 2.79Å
394P38.8Very low41Very low119 Ų119129.4 Ų129.477%0.77377%0.765SS**  trans-80.9152.6-166.231.2-34000113.6
395S33.6Very low41.3Very low128 Ų128129.2 Ų129.290%0.89577%0.77SS**  trans-58.1122.4-177.2-41.60000114.6
396S42.5Very low42.1Very low113 Ų113132.2 Ų132.279%0.7978%0.778SS**  trans-157.6111147.154.70000111.7
397S37.5Very low43.1Very low116 Ų116131.8 Ų131.881%0.81178%0.776SS**  trans-22.8120.6166.447.90000117.8
398T42.8Very low44.7Very low150 Ų150132.3 Ų132.392%0.9277%0.765SS**  trans-154.6141.1140.9-66.60000110.2
399R39.3Very low46.8Very low225 Ų225134.6 Ų134.685%0.84976%0.762SS**  trans-78.7136.7-159.8-71.6165.6164169.6-7115
400Q34.4Very low49.2Very low171 Ų171131.3 Ų131.380%0.79973%0.732SS**SBendtrans49.689137-611792.500118.7
401S41.6Very low51.7Low127 Ų127129.2 Ų129.289%0.88871%0.711SS**SBendtrans-176.3-11.5145.9570000113.3
402G42.1Very low54.2Low69 Ų69123.7 Ų123.771%0.71168%0.678SS**SBendtrans-97.3-5.1-175.400000118S404G402-S404 PolarHBondContact O-N 3.07Å
403E42.5Very low56.4Low166 Ų166121.3 Ų121.378%0.77666%0.664SS**THydrogen-bonded Turntrans-84.62.7-166.5-74.5178.8138.600116.3
404S56.8Low58.2Low90 Ų90119.2 Ų119.263%0.62965%0.646SS**THydrogen-bonded Turntrans-90.7-21.7-169.5-155.20000115.1G402G402-S404 PolarHBondContact O-N 3.07Å
405L56.8Low60.2Low148 Ų148120 Ų12078%0.77565%0.648SS**SBendtrans-82.9-34-175-81.1159.3000113.2K407 R408L405-K407 PolarHBondContact O-N 2.87Å; L405-R408 PolarHBondContact O-N 3.32Å
406E56.7Low62.6Low147 Ų147122.7 Ų122.769%0.68765%0.647SS**THydrogen-bonded Turntrans-75.5-13.2-178.6-163.6160.6-178.300113.7
407K61.9Low64.8Low142 Ų142118.7 Ų118.762%0.61762%0.618SS**THydrogen-bonded Turntrans-81.5-18.8178.6-157.6168-174170.60113.2L405 R409 A422L405-K407 PolarHBondContact O-N 2.87Å; K407-R409 PolarHBondContact O-N 3.24Å; K407-A422 HydrophobicContact CG-CB 4.42Å; K407-A422 WeakPolarHBondContact O-CA 3.27Å
408R73.7Confident67.1Low126 Ų126116 Ų11648%0.47561%0.609SS.*  trans-85.661-176.9-60.1178.194.5158.65.6111.9L405 Y410 R420 F421 A422L405-R408 PolarHBondContact O-N 3.32Å; R408-Y410 VanDerWaalsContact C-N 3.31Å; R408-Y410 PolarHBondContact O-N 3.25Å; R408-R420 HydrophobicContact CB-CB 3.97Å; R408-R420 PolarHBondContact NE-O 3.4Å; R408-R420 PolarHBondContact NH2-O 2.77Å; R408-R420 VanDerWaalsContact NH2-O 3.09Å; R408-R420 PolarHBondContact O-NE 3.29Å; R408-F421 CarbonylContact C-O 3.3Å; R408-F421 VanDerWaalsContact C-O 3.3Å; R408-F421 VanDerWaalsContact CA-O 3.25Å; R408-F421 WeakPolarHBondContact CA-O 3.49Å; R408-A422 HydrophobicContact CG-CB 4.46Å
409R82.3Confident69.2Low141 Ų141113 Ų11353%0.53258%0.583SS.*  trans-74.1-17.7-174.3-63.8-174.6179.4-172.5-2.7114.2K407 F421K407-R409 PolarHBondContact O-N 3.24Å; R409-F421 PolarHBondContact N-O 3.2Å
410Y87Confident71.7Confident45 Ų45109.3 Ų109.318%0.17657%0.57CS.*EExtended strand (participates in β ladder)trans-102.1114.4-173.2-59.2-80.7000109.8Y383 T385 R408 R420 F421 P424Y383-Y410 HydrophobicContact CD2-CD1 4.2Å; Y383-Y410 AromaticContact CD2-CE1 3.62Å; Y383-Y410 HydrophobicContact CD2-CE1 3.62Å; Y383-Y410 AromaticContact CE2-CE1 4Å; Y383-Y410 HydrophobicContact CE2-CE1 4Å; Y383-Y410 HydrophobicContact CG-CE1 4.36Å; T385-Y410 HydrophobicContact CG2-CE1 4.42Å; R408-Y410 VanDerWaalsContact C-N 3.31Å; R408-Y410 PolarHBondContact O-N 3.25Å; Y410-R420 CarbonylContact O-C 3.52Å; Y410-R420 WeakPolarHBondContact O-CA 3.3Å; Y410-F421 PolarHBondContact N-O 2.91Å; Y410-F421 VanDerWaalsContact N-O 3.12Å; Y410-F421 PolarHBondContact O-N 3.24Å; Y410-P424 HydrophobicContact CD1-CB 3.92Å; Y410-P424 HydrophobicContact CE1-CB 3.61Å; Y410-P424 HydrophobicContact CE1-CG 4.1Å; Y410-P424 HydrophobicContact CE2-CB 4.43Å; Y410-P424 VanDerWaalsContact CE2-CD 3.43Å; Y410-P424 HydrophobicContact CE2-CG 4.32Å; Y410-P424 HydrophobicContact CG-CB 4.43Å; Y410-P424 VanDerWaalsContact CZ-CD 3.47Å
411F89.2Confident74.3Confident99 Ų99102.7 Ų102.743%0.43454%0.538SS..EExtended strand (participates in β ladder)trans-103.4144.1-18060.6-84.6000110.5L427F411-L427 VanDerWaalsContact C-CD1 3.41Å; F411-L427 VanDerWaalsContact O-CD1 3.27Å; F411-L427 WeakPolarHBondContact O-CD1 3.45Å; F411-L427 WeakPolarHBondContact O-CD2 3.34Å
412C92Very high76.7Confident9 Ų998.3 Ų98.36%0.06151%0.509CS..  trans-66.3127167.2-167.40000108.8E414 C417 K419 L427 H430 H434C412-E414 PolarHBondContact O-N 3.41Å; C412-C417 HydrophobicContact CB-CB 4.09Å; C412-K419 PolarHBondContact N-O 3.1Å; C412-L427 HydrophobicContact CB-CD1 4.32Å; C412-H430 PolarHBondContact SG-NE2 3.36Å; C412-H434 PolarHBondContact SG-CD2 3.49Å; C412-H434 PolarHBondContact SG-NE2 2.9Å
413P84.7Confident78.9Confident87 Ų87102.2 Ų102.257%0.56550%0.503SS*.SBendtrans-71.3-15.4178.530.5-33.1000111.9V415 H431P413-V415 PolarHBondContact O-N 3.09Å; P413-H431 WeakPolarHBondContact CD-CE1 3.48Å; P413-H431 WeakPolarHBondContact CD-NE2 3.26Å
414E86.8Confident81.2Confident85 Ų8595.9 Ų95.940%0.39748%0.476SS..  trans-70.9113.6174.8-170.357.1-125.100110C412 Q416 C417C412-E414 PolarHBondContact O-N 3.41Å; E414-Q416 PolarHBondContact O-N 3.41Å; E414-C417 HydrophobicContact CB-CB 4Å; E414-C417 HydrophobicContact CG-CB 4.37Å; E414-C417 WeakPolarHBondContact O-CB 3.18Å; E414-C417 PolarHBondContact O-N 2.91Å
415V79.8Confident82.8Confident135 Ų13597.1 Ų97.182%0.81848%0.476SS*.THydrogen-bonded Turntrans-59-38.4-171.8179.50000111.2P413 C417P413-V415 PolarHBondContact O-N 3.09Å; V415-C417 PolarHBondContact O-N 3.34Å
416Q83.9Confident84.4Confident186 Ų18692.4 Ų92.487%0.86945%0.449SS*.THydrogen-bonded Turntrans-71.2-15.9179-62.8-175.6-21.100113.4E414E414-Q416 PolarHBondContact O-N 3.41Å
417C88.4Confident86Confident28 Ų2886 Ų8619%0.18942%0.42CS..THydrogen-bonded Turntrans-86.1-43.8-175.3-163.60000113.1C412 E414 V415 K419 H430 H434C412-C417 HydrophobicContact CB-CB 4.09Å; E414-C417 HydrophobicContact CB-CB 4Å; E414-C417 HydrophobicContact CG-CB 4.37Å; E414-C417 WeakPolarHBondContact O-CB 3.18Å; E414-C417 PolarHBondContact O-N 2.91Å; V415-C417 PolarHBondContact O-N 3.34Å; C417-K419 PolarHBondContact O-N 3.04Å; C417-K419 VanDerWaalsContact SG-CD 3.58Å; C417-K419 VanDerWaalsContact SG-CG 3.56Å; C417-H430 PolarHBondContact SG-CE1 3.25Å; C417-H430 PolarHBondContact SG-NE2 3.44Å; C417-H434 PolarHBondContact SG-NE2 2.94Å; C417-H434 VanDerWaalsContact SG-NE2 3.36Å
418G85.9Confident87.4Confident61 Ų6185.5 Ų85.563%0.62942%0.418SS*.  trans59.13.8-178.800000116.1
419K87.5Confident88.2Confident86 Ų8684.5 Ų84.537%0.37441%0.414SS..  trans-74.9134.5-172.5-71.4-178.8-169.3178.10112C412 C417 F421C412-K419 PolarHBondContact N-O 3.1Å; C417-K419 PolarHBondContact O-N 3.04Å; C417-K419 VanDerWaalsContact SG-CD 3.58Å; C417-K419 VanDerWaalsContact SG-CG 3.56Å; K419-F421 HydrophobicContact CB-CE2 3.6Å; K419-F421 HydrophobicContact CB-CZ 3.71Å; K419-F421 HydrophobicContact CD-CZ 4.3Å
420R91Very high88.6Confident148 Ų14878.4 Ų78.456%0.55839%0.391SS*.EExtended strand (participates in β ladder)trans-115.1134.5177.5-55.7179.376.2152.25111.3R408 Y410R408-R420 HydrophobicContact CB-CB 3.97Å; R408-R420 PolarHBondContact NE-O 3.4Å; R408-R420 PolarHBondContact NH2-O 2.77Å; R408-R420 VanDerWaalsContact NH2-O 3.09Å; R408-R420 PolarHBondContact O-NE 3.29Å; Y410-R420 CarbonylContact O-C 3.52Å; Y410-R420 WeakPolarHBondContact O-CA 3.3Å
421F90.8Very high88.6Confident32 Ų3277.5 Ų77.514%0.1439%0.389CS..EExtended strand (participates in β ladder)trans-120.2146.1-174.2-60.4-83.9000110.7R408 R409 Y410 K419 R423 E426 L427 H430R408-F421 CarbonylContact C-O 3.3Å; R408-F421 VanDerWaalsContact C-O 3.3Å; R408-F421 VanDerWaalsContact CA-O 3.25Å; R408-F421 WeakPolarHBondContact CA-O 3.49Å; R409-F421 PolarHBondContact N-O 3.2Å; Y410-F421 PolarHBondContact N-O 2.91Å; Y410-F421 VanDerWaalsContact N-O 3.12Å; Y410-F421 PolarHBondContact O-N 3.24Å; K419-F421 HydrophobicContact CB-CE2 3.6Å; K419-F421 HydrophobicContact CB-CZ 3.71Å; K419-F421 HydrophobicContact CD-CZ 4.3Å; F421-R423 VanDerWaalsContact C-N 3.33Å; F421-E426 HydrophobicContact CB-CB 3.98Å; F421-E426 HydrophobicContact CD1-CB 3.76Å; F421-E426 HydrophobicContact CG-CB 4.16Å; F421-L427 HydrophobicContact CB-CB 4.21Å; F421-L427 HydrophobicContact CD2-CB 4.07Å; F421-L427 HydrophobicContact CD2-CD1 3.46Å; F421-L427 VanDerWaalsContact CD2-CD1 3.46Å; F421-L427 HydrophobicContact CD2-CG 4.43Å; F421-L427 HydrophobicContact CE2-CD1 3.9Å; F421-L427 HydrophobicContact CG-CB 4.28Å; F421-L427 HydrophobicContact CG-CD1 4.44Å; F421-H430 HydrophobicContact CE1-CB 3.76Å; F421-H430 HydrophobicContact CE2-CB 3.76Å; F421-H430 AromaticContact CE2-CD2 3.15Å; F421-H430 WeakPolarHBondContact CE2-CD2 3.27Å; F421-H430 AromaticContact CE2-CG 3.48Å; F421-H430 VanDerWaalsContact CE2-CG 3.48Å; F421-H430 AromaticContact CE2-NE2 3.89Å; F421-H430 HydrophobicContact CZ-CB 3.29Å; F421-H430 AromaticContact CZ-CD2 3.29Å; F421-H430 WeakPolarHBondContact CZ-CD2 3.41Å; F421-H430 AromaticContact CZ-CG 3.09Å; F421-H430 AromaticContact CZ-ND1 3.7Å; F421-H430 AromaticContact CZ-NE2 3.93Å
422A90.5Very high88.7Confident34 Ų3476 Ų7628%0.28138%0.38SS..SBendtrans-78.6-23.1179.700000112.3K407 R408 E426K407-A422 HydrophobicContact CG-CB 4.42Å; K407-A422 WeakPolarHBondContact O-CA 3.27Å; R408-A422 HydrophobicContact CG-CB 4.46Å; A422-E426 PolarHBondContact N-OE2 2.9Å
423R88.8Confident88.6Confident152 Ų15281.4 Ų81.457%0.57441%0.407SS*.SBendtrans-130.2148.5-176.1-64-178.6-179.7133-9.8111.5F421 D425 E426 L427F421-R423 VanDerWaalsContact C-N 3.33Å; R423-D425 VanDerWaalsContact C-N 3.26Å; R423-D425 PolarHBondContact O-N 2.96Å; R423-E426 HydrophobicContact CB-CB 4.43Å; R423-E426 HydrophobicContact CB-CG 4.11Å; R423-E426 IonicContact NH1-OE1 2.9Å; R423-E426 PolarHBondContact NH1-OE1 3Å; R423-E426 PolarHBondContact O-N 3.34Å; R423-L427 PolarHBondContact O-N 3.04Å
424P90.4Very high88.8Confident33 Ų3381.2 Ų81.221%0.21440%0.399CS..Hα-helixtrans-65.6-31.6176.826.2-29.2000111.5Y383 Y410 E426 L427 K428Y383-P424 HydrophobicContact CE1-CB 4.45Å; Y410-P424 HydrophobicContact CD1-CB 3.92Å; Y410-P424 HydrophobicContact CE1-CB 3.61Å; Y410-P424 HydrophobicContact CE1-CG 4.1Å; Y410-P424 HydrophobicContact CE2-CB 4.43Å; Y410-P424 VanDerWaalsContact CE2-CD 3.43Å; Y410-P424 HydrophobicContact CE2-CG 4.32Å; Y410-P424 HydrophobicContact CG-CB 4.43Å; Y410-P424 VanDerWaalsContact CZ-CD 3.47Å; P424-E426 VanDerWaalsContact C-N 3.33Å; P424-E426 PolarHBondContact O-N 3.21Å; P424-L427 WeakPolarHBondContact O-CB 3.38Å; P424-L427 PolarHBondContact O-N 3.05Å; P424-K428 WeakPolarHBondContact O-CB 3.39Å; P424-K428 PolarHBondContact O-N 3.44Å
425D89.8Confident88.8Confident116 Ų11681.5 Ų81.562%0.6241%0.406SS*.Hα-helixtrans-66.6-34.8177.4-59.1-44.2000112.7R423 R429R423-D425 VanDerWaalsContact C-N 3.26Å; R423-D425 PolarHBondContact O-N 2.96Å; D425-R429 VanDerWaalsContact O-CB 3.27Å; D425-R429 WeakPolarHBondContact O-CB 3.48Å; D425-R429 PolarHBondContact O-N 3.27Å
426E90.5Very high89.2Confident48 Ų4877.4 Ų77.422%0.22439%0.391CS..Hα-helixtrans-68.7-42.2175.4-69.8167.8-169.200110.6F421 A422 R423 P424 R429 H430F421-E426 HydrophobicContact CB-CB 3.98Å; F421-E426 HydrophobicContact CD1-CB 3.76Å; F421-E426 HydrophobicContact CG-CB 4.16Å; A422-E426 PolarHBondContact N-OE2 2.9Å; R423-E426 HydrophobicContact CB-CB 4.43Å; R423-E426 HydrophobicContact CB-CG 4.11Å; R423-E426 IonicContact NH1-OE1 2.9Å; R423-E426 PolarHBondContact NH1-OE1 3Å; R423-E426 PolarHBondContact O-N 3.34Å; P424-E426 VanDerWaalsContact C-N 3.33Å; P424-E426 PolarHBondContact O-N 3.21Å; E426-R429 PolarHBondContact O-N 2.89Å; E426-H430 VanDerWaalsContact O-CB 3.26Å; E426-H430 WeakPolarHBondContact O-CB 3.38Å; E426-H430 PolarHBondContact O-N 2.9Å
427L91.8Very high89.4Confident12 Ų1271.9 Ų71.96%0.06337%0.37CS..Hα-helixtrans-60.5-49.7172.6-178.870.9000111.1F411 C412 F421 R423 P424 R429 H430 H431F411-L427 VanDerWaalsContact C-CD1 3.41Å; F411-L427 VanDerWaalsContact O-CD1 3.27Å; F411-L427 WeakPolarHBondContact O-CD1 3.45Å; F411-L427 WeakPolarHBondContact O-CD2 3.34Å; C412-L427 HydrophobicContact CB-CD1 4.32Å; F421-L427 HydrophobicContact CB-CB 4.21Å; F421-L427 HydrophobicContact CD2-CB 4.07Å; F421-L427 HydrophobicContact CD2-CD1 3.46Å; F421-L427 VanDerWaalsContact CD2-CD1 3.46Å; F421-L427 HydrophobicContact CD2-CG 4.43Å; F421-L427 HydrophobicContact CE2-CD1 3.9Å; F421-L427 HydrophobicContact CG-CB 4.28Å; F421-L427 HydrophobicContact CG-CD1 4.44Å; R423-L427 PolarHBondContact O-N 3.04Å; P424-L427 WeakPolarHBondContact O-CB 3.38Å; P424-L427 PolarHBondContact O-N 3.05Å; L427-R429 VanDerWaalsContact C-N 3.32Å; L427-R429 PolarHBondContact O-N 3.45Å; L427-H430 CarbonylContact O-C 3.55Å; L427-H430 WeakPolarHBondContact O-CA 3.25Å; L427-H430 WeakPolarHBondContact O-CB 3.48Å; L427-H430 PolarHBondContact O-N 3.37Å; L427-H430 VanDerWaalsContact O-N 3.07Å; L427-H431 WeakPolarHBondContact CD1-NE2 3.1Å; L427-H431 VanDerWaalsContact CG-NE2 3.3Å; L427-H431 WeakPolarHBondContact CG-NE2 3.48Å; L427-H431 PolarHBondContact O-CD2 3.34Å; L427-H431 VanDerWaalsContact O-CD2 3.24Å; L427-H431 PolarHBondContact O-N 3.36Å
428K90.3Very high89.5Confident132 Ų13276.5 Ų76.557%0.57439%0.387SS*.Hα-helixtrans-59.2-42.5178.6-174.3175.8-175.8175.20111.7P424 H431 R432P424-K428 WeakPolarHBondContact O-CB 3.39Å; P424-K428 PolarHBondContact O-N 3.44Å; K428-H431 PolarHBondContact O-N 3.43Å; K428-R432 WeakPolarHBondContact O-CG 3.15Å; K428-R432 PolarHBondContact O-N 3.3Å
429R90.2Very high89.7Confident105 Ų10577.2 Ų77.240%0.39638%0.381SS..Hα-helixtrans-65.8-39.2174.9-176.8177.565.7-179.1-4.7111.6D425 E426 L427 R432 R451D425-R429 VanDerWaalsContact O-CB 3.27Å; D425-R429 WeakPolarHBondContact O-CB 3.48Å; D425-R429 PolarHBondContact O-N 3.27Å; E426-R429 PolarHBondContact O-N 2.89Å; L427-R429 VanDerWaalsContact C-N 3.32Å; L427-R429 PolarHBondContact O-N 3.45Å; R429-R432 WeakPolarHBondContact O-CB 2.93Å; R429-R432 PolarHBondContact O-N 2.87Å; R429-R451 HydrophobicContact CG-CG 3.96Å
430H90.4Very high89.9Confident13 Ų1376 Ų766%0.0638%0.376CS..Hα-helixtrans-67-41176.3167.861.7000112.5C412 C417 F421 E426 L427 R432 I433 H434C412-H430 PolarHBondContact SG-NE2 3.36Å; C417-H430 PolarHBondContact SG-CE1 3.25Å; C417-H430 PolarHBondContact SG-NE2 3.44Å; F421-H430 HydrophobicContact CE1-CB 3.76Å; F421-H430 HydrophobicContact CE2-CB 3.76Å; F421-H430 AromaticContact CE2-CD2 3.15Å; F421-H430 WeakPolarHBondContact CE2-CD2 3.27Å; F421-H430 AromaticContact CE2-CG 3.48Å; F421-H430 VanDerWaalsContact CE2-CG 3.48Å; F421-H430 AromaticContact CE2-NE2 3.89Å; F421-H430 HydrophobicContact CZ-CB 3.29Å; F421-H430 AromaticContact CZ-CD2 3.29Å; F421-H430 WeakPolarHBondContact CZ-CD2 3.41Å; F421-H430 AromaticContact CZ-CG 3.09Å; F421-H430 AromaticContact CZ-ND1 3.7Å; F421-H430 AromaticContact CZ-NE2 3.93Å; E426-H430 VanDerWaalsContact O-CB 3.26Å; E426-H430 WeakPolarHBondContact O-CB 3.38Å; E426-H430 PolarHBondContact O-N 2.9Å; L427-H430 CarbonylContact O-C 3.55Å; L427-H430 WeakPolarHBondContact O-CA 3.25Å; L427-H430 WeakPolarHBondContact O-CB 3.48Å; L427-H430 PolarHBondContact O-N 3.37Å; L427-H430 VanDerWaalsContact O-N 3.07Å; H430-R432 PolarHBondContact O-N 3.08Å; H430-R432 VanDerWaalsContact O-N 3.1Å; H430-I433 WeakPolarHBondContact O-CB 3.32Å; H430-I433 WeakPolarHBondContact O-CG1 3.41Å; H430-I433 PolarHBondContact O-N 3.47Å; H430-H434 AromaticContact CE1-NE2 3.44Å; H430-H434 PolarHBondContact CE1-NE2 3.48Å; H430-H434 AromaticContact NE2-CD2 3.76Å; H430-H434 AromaticContact NE2-NE2 3.25Å; H430-H434 PolarHBondContact NE2-NE2 3.27Å
431H88.5Confident90Very high26 Ų2675.6 Ų75.612%0.1238%0.382CS..Hα-helixtrans-59.1-23175.5-73.4-169000113.4P413 L427 K428 I433 H434 T435P413-H431 WeakPolarHBondContact CD-CE1 3.48Å; P413-H431 WeakPolarHBondContact CD-NE2 3.26Å; L427-H431 WeakPolarHBondContact CD1-NE2 3.1Å; L427-H431 VanDerWaalsContact CG-NE2 3.3Å; L427-H431 WeakPolarHBondContact CG-NE2 3.48Å; L427-H431 PolarHBondContact O-CD2 3.34Å; L427-H431 VanDerWaalsContact O-CD2 3.24Å; L427-H431 PolarHBondContact O-N 3.36Å; K428-H431 PolarHBondContact O-N 3.43Å; H431-I433 PolarHBondContact O-N 3.16Å; H431-H434 PolarHBondContact O-N 3.34Å; H431-H434 VanDerWaalsContact O-N 3.13Å; H431-T435 PolarHBondContact O-N 3.27Å; H431-T435 PolarHBondContact O-OG1 3.45Å
432R90.6Very high90.1Very high67 Ų6774.3 Ų74.325%0.25338%0.377SS..Hα-helixtrans-61.7-23.8172.3-60.4-175.5-177175.7-4.1113K428 R429 H430 T435 G436 T437 G450K428-R432 WeakPolarHBondContact O-CG 3.15Å; K428-R432 PolarHBondContact O-N 3.3Å; R429-R432 WeakPolarHBondContact O-CB 2.93Å; R429-R432 PolarHBondContact O-N 2.87Å; H430-R432 PolarHBondContact O-N 3.08Å; H430-R432 VanDerWaalsContact O-N 3.1Å; R432-T435 WeakPolarHBondContact CA-OG1 3.46Å; R432-G436 CarbonylContact O-C 3.49Å; R432-G436 WeakPolarHBondContact O-CA 3.45Å; R432-G436 PolarHBondContact O-N 2.89Å; R432-T437 WeakPolarHBondContact CG-OG1 3.32Å; R432-T437 PolarHBondContact O-N 3.38Å; R432-G450 WeakPolarHBondContact CD-O 3.29Å; R432-G450 PolarHBondContact NH1-O 2.74Å
433I89Confident90.2Very high124 Ų12480.8 Ų80.864%0.63640%0.399SS*.Hα-helixtrans-71.8-41.4175.6-55.9173.6000110H430 H431H430-I433 WeakPolarHBondContact O-CB 3.32Å; H430-I433 WeakPolarHBondContact O-CG1 3.41Å; H430-I433 PolarHBondContact O-N 3.47Å; H431-I433 PolarHBondContact O-N 3.16Å
434H89.6Confident90.4Very high83 Ų8380.5 Ų80.538%0.38440%0.399SS..Hα-helixtrans-71.7-41.7177.1-67-65.2000112.6C412 C417 H430 H431 G436C412-H434 PolarHBondContact SG-CD2 3.49Å; C412-H434 PolarHBondContact SG-NE2 2.9Å; C417-H434 PolarHBondContact SG-NE2 2.94Å; C417-H434 VanDerWaalsContact SG-NE2 3.36Å; H430-H434 AromaticContact CE1-NE2 3.44Å; H430-H434 PolarHBondContact CE1-NE2 3.48Å; H430-H434 AromaticContact NE2-CD2 3.76Å; H430-H434 AromaticContact NE2-NE2 3.25Å; H430-H434 PolarHBondContact NE2-NE2 3.27Å; H431-H434 PolarHBondContact O-N 3.34Å; H431-H434 VanDerWaalsContact O-N 3.13Å; H434-G436 VanDerWaalsContact C-N 3.28Å; H434-G436 PolarHBondContact O-N 2.88Å
435T87.7Confident90.5Very high90 Ų9080.4 Ų80.455%0.55240%0.399SS*.SBendtrans-80-7.8-179.955.40000113.6H431 R432 T437H431-T435 PolarHBondContact O-N 3.27Å; H431-T435 PolarHBondContact O-OG1 3.45Å; R432-T435 WeakPolarHBondContact CA-OG1 3.46Å; T435-T437 PolarHBondContact O-N 3.47Å; T435-T437 WeakPolarHBondContact OG1-CG2 3.43Å; T435-T437 PolarHBondContact OG1-OG1 3.46Å
436G87.4Confident90.6Very high49 Ų4981 Ų8151%0.50541%0.408SS..  trans64.16.1-17300000115R432 H434 K438R432-G436 CarbonylContact O-C 3.49Å; R432-G436 WeakPolarHBondContact O-CA 3.45Å; R432-G436 PolarHBondContact O-N 2.89Å; H434-G436 VanDerWaalsContact C-N 3.28Å; H434-G436 PolarHBondContact O-N 2.88Å; G436-K438 PolarHBondContact O-N 3.33Å
437T87.5Confident90.6Very high70 Ų7086.5 Ų86.543%0.42943%0.427SS..  trans-68.9123.7-17252.10000112.3R432 T435 P439R432-T437 WeakPolarHBondContact CG-OG1 3.32Å; R432-T437 PolarHBondContact O-N 3.38Å; T435-T437 PolarHBondContact O-N 3.47Å; T435-T437 WeakPolarHBondContact OG1-CG2 3.43Å; T435-T437 PolarHBondContact OG1-OG1 3.46Å; T437-P439 WeakPolarHBondContact O-CD 3.4Å
438K90.4Very high90.6Very high125 Ų12588 Ų8854%0.54344%0.439SS..  trans-122.378.2-178.6-70.9171.3174.4-176.90111.2G436 F440 S448 F449G436-K438 PolarHBondContact O-N 3.33Å; K438-F440 PolarHBondContact O-N 2.79Å; K438-S448 VanDerWaalsContact CB-OG 3.32Å; K438-S448 WeakPolarHBondContact CB-OG 3.09Å; K438-S448 WeakPolarHBondContact CD-O 3.21Å; K438-S448 WeakPolarHBondContact CD-OG 3.37Å; K438-F449 CarbonylContact C-O 3.36Å; K438-F449 WeakPolarHBondContact CA-O 3.42Å
439P90.2Very high90.6Very high77 Ų7783.8 Ų83.850%0.542%0.42SS..  trans-71.6-11.7-171.727.7-34.1000114.5T437T437-P439 WeakPolarHBondContact O-CD 3.4Å
440F92.5Very high90.6Very high61 Ų6179.7 Ų79.727%0.26841%0.411SS..EExtended strand (participates in β ladder)trans-106.7101.2-173.7-58-72.5000111.3K438 S448 F449 S452 L455K438-F440 PolarHBondContact O-N 2.79Å; F440-S448 CarbonylContact O-C 3.49Å; F440-S448 VanDerWaalsContact O-CA 3.32Å; F440-S448 WeakPolarHBondContact O-CA 3.43Å; F440-F449 HydrophobicContact CB-CB 4.41Å; F440-F449 WeakPolarHBondContact CB-O 3.39Å; F440-F449 WeakPolarHBondContact CD2-O 3.32Å; F440-F449 PolarHBondContact N-O 3.34Å; F440-F449 VanDerWaalsContact N-O 3.1Å; F440-F449 PolarHBondContact O-N 3.09Å; F440-S452 VanDerWaalsContact CD2-N 3.28Å; F440-L455 HydrophobicContact CB-CB 4Å; F440-L455 HydrophobicContact CB-CD2 3.78Å; F440-L455 HydrophobicContact CB-CG 4.48Å
441M92.2Very high90.6Very high138 Ų13882.7 Ų82.768%0.6842%0.422SS*.EExtended strand (participates in β ladder)trans-89.5141.2179.4-170.5-175.2-70.100111.9L455M441-L455 WeakPolarHBondContact O-CD2 3.29Å
442C93.9Very high90.8Very high6 Ų684.7 Ų84.74%0.04144%0.439CS..  trans-74.7137.4170.3-173.50000111.6Y444 C445 R447 L455 H458C442-Y444 VanDerWaalsContact C-N 3.3Å; C442-Y444 PolarHBondContact O-N 3.36Å; C442-Y444 PolarHBondContact SG-N 2.94Å; C442-C445 WeakPolarHBondContact CB-O 3.35Å; C442-R447 WeakPolarHBondContact CB-O 3.36Å; C442-R447 PolarHBondContact N-O 3.43Å; C442-L455 HydrophobicContact CB-CD1 3.86Å; C442-H458 PolarHBondContact SG-CD2 2.89Å; C442-H458 PolarHBondContact SG-NE2 2.86Å
443K92.8Very high90.8Very high169 Ų16983.9 Ų83.974%0.73544%0.439SS*.SBendtrans-75-19.4177.5-63.8-174178.4-175.70113.4
444Y92Very high90.9Very high147 Ų14781.9 Ų81.958%0.57643%0.427SS*.SBendtrans-105.9-13-173.8-55.3-72.3000113.4C442 H462C442-Y444 VanDerWaalsContact C-N 3.3Å; C442-Y444 PolarHBondContact O-N 3.36Å; C442-Y444 PolarHBondContact SG-N 2.94Å; Y444-H462 HydrophobicContact CD2-CB 3.61Å; Y444-H462 AromaticContact CD2-CD2 3.81Å; Y444-H462 AromaticContact CD2-CG 3.74Å; Y444-H462 HydrophobicContact CE2-CB 4.15Å; Y444-H462 HydrophobicContact CG-CB 3.94Å; Y444-H462 AromaticContact CG-CG 3.86Å
445C93Very high91.1Very high31 Ų3179.4 Ų79.421%0.20942%0.417CS..SBendtrans-154.9161.9179.475.20000110.7C442 R447 H458C442-C445 WeakPolarHBondContact CB-O 3.35Å; C445-R447 PolarHBondContact O-N 3.21Å; C445-H458 PolarHBondContact SG-NE2 2.65Å
446P92.5Very high91.4Very high127 Ų12782.3 Ų82.383%0.82542%0.418SS*.SBendtrans-71.76.3-174.629.2-36.1000114.4
447R90.5Very high91.6Very high165 Ų16582.3 Ų82.362%0.62341%0.408SS*.  trans-73.5130.8-177.2-68.3-174.2175.3-179.8-0.6111.3C442 C445 F449C442-R447 WeakPolarHBondContact CB-O 3.36Å; C442-R447 PolarHBondContact N-O 3.43Å; C445-R447 PolarHBondContact O-N 3.21Å; R447-F449 HydrophobicContact CB-CE2 3.95Å; R447-F449 HydrophobicContact CB-CZ 4.05Å
448S91.5Very high91.8Very high43 Ų4380 Ų8030%0.30139%0.392SS..EExtended strand (participates in β ladder)trans-112.8149.9172.962.50000111.6K438 F440K438-S448 VanDerWaalsContact CB-OG 3.32Å; K438-S448 WeakPolarHBondContact CB-OG 3.09Å; K438-S448 WeakPolarHBondContact CD-O 3.21Å; K438-S448 WeakPolarHBondContact CD-OG 3.37Å; F440-S448 CarbonylContact O-C 3.49Å; F440-S448 VanDerWaalsContact O-CA 3.32Å; F440-S448 WeakPolarHBondContact O-CA 3.43Å
449F90.9Very high91.9Very high44 Ų4475.9 Ų75.919%0.19338%0.377CS..EExtended strand (participates in β ladder)trans-129145-175-59.7-88.4000111.1K438 F440 R447 R451 H454 L455 H458K438-F449 CarbonylContact C-O 3.36Å; K438-F449 WeakPolarHBondContact CA-O 3.42Å; F440-F449 HydrophobicContact CB-CB 4.41Å; F440-F449 WeakPolarHBondContact CB-O 3.39Å; F440-F449 WeakPolarHBondContact CD2-O 3.32Å; F440-F449 PolarHBondContact N-O 3.34Å; F440-F449 VanDerWaalsContact N-O 3.1Å; F440-F449 PolarHBondContact O-N 3.09Å; R447-F449 HydrophobicContact CB-CE2 3.95Å; R447-F449 HydrophobicContact CB-CZ 4.05Å; F449-R451 PolarHBondContact O-N 3.2Å; F449-H454 HydrophobicContact CB-CB 4.24Å; F449-H454 HydrophobicContact CD1-CB 3.96Å; F449-H454 HydrophobicContact CG-CB 4.31Å; F449-L455 HydrophobicContact CB-CB 4.38Å; F449-L455 HydrophobicContact CD2-CB 3.97Å; F449-L455 HydrophobicContact CD2-CD1 3.88Å; F449-L455 HydrophobicContact CE2-CD1 4.08Å; F449-L455 HydrophobicContact CG-CB 4.38Å; F449-H458 HydrophobicContact CE1-CB 4.13Å; F449-H458 HydrophobicContact CE2-CB 3.81Å; F449-H458 AromaticContact CE2-CD2 3.39Å; F449-H458 WeakPolarHBondContact CE2-CD2 3.41Å; F449-H458 AromaticContact CE2-CG 3.57Å; F449-H458 HydrophobicContact CZ-CB 3.48Å; F449-H458 VanDerWaalsContact CZ-CB 3.48Å; F449-H458 AromaticContact CZ-CD2 3.58Å; F449-H458 AromaticContact CZ-CG 3.28Å; F449-H458 AromaticContact CZ-ND1 3.81Å
450G89.9Confident92.1Very high19 Ų1973.8 Ų73.820%0.19636%0.359CS..SBendtrans-71.5-16.5175.600000114R432R432-G450 WeakPolarHBondContact CD-O 3.29Å; R432-G450 PolarHBondContact NH1-O 2.74Å
451R90.5Very high92.1Very high75 Ų7574.9 Ų74.928%0.28338%0.375SS..SBendtrans-137.5145.4-176.7-57.1171.544169.80.8112.4R429 F449 D453 H454 L455R429-R451 HydrophobicContact CG-CG 3.96Å; F449-R451 PolarHBondContact O-N 3.2Å; R451-D453 WeakPolarHBondContact CB-OD1 3.45Å; R451-D453 IonicContact CZ-OD1 3.56Å; R451-D453 IonicContact CZ-OD2 3.16Å; R451-D453 IonicContact NE-OD1 2.65Å; R451-D453 PolarHBondContact NE-OD1 3.19Å; R451-D453 IonicContact NE-OD2 2.69Å; R451-D453 IonicContact NH2-OD1 2.76Å; R451-D453 PolarHBondContact NH2-OD1 3.43Å; R451-D453 IonicContact NH2-OD2 3.2Å; R451-D453 PolarHBondContact NH2-OD2 3.45Å; R451-H454 WeakPolarHBondContact CD-NE2 3.39Å; R451-H454 PolarHBondContact O-N 2.81Å; R451-L455 PolarHBondContact O-N 3.32Å
452S92.5Very high92Very high69 Ų6972 Ų7248%0.48336%0.359SS..Hα-helixtrans-70.3-33-177.454.30000113F440 H454 L455 R456F440-S452 VanDerWaalsContact CD2-N 3.28Å; S452-H454 VanDerWaalsContact C-N 3.35Å; S452-L455 PolarHBondContact O-N 3.44Å; S452-R456 PolarHBondContact O-N 3.14Å
453D90.2Very high91.9Very high50 Ų5074.9 Ų74.927%0.26738%0.377SS..Hα-helixtrans-67.6-36.2177.361.6-48.8000112R451 R456 T457R451-D453 WeakPolarHBondContact CB-OD1 3.45Å; R451-D453 IonicContact CZ-OD1 3.56Å; R451-D453 IonicContact CZ-OD2 3.16Å; R451-D453 IonicContact NE-OD1 2.65Å; R451-D453 PolarHBondContact NE-OD1 3.19Å; R451-D453 IonicContact NE-OD2 2.69Å; R451-D453 IonicContact NH2-OD1 2.76Å; R451-D453 PolarHBondContact NH2-OD1 3.43Å; R451-D453 IonicContact NH2-OD2 3.2Å; R451-D453 PolarHBondContact NH2-OD2 3.45Å; D453-R456 PolarHBondContact O-N 2.87Å; D453-T457 PolarHBondContact O-N 3.08Å; D453-T457 PolarHBondContact O-OG1 3.03Å
454H91.7Very high91.8Very high82 Ų8269 Ų6938%0.3837%0.365SS..Hα-helixtrans-65.7-43.1172.2-63.9-30.5000112F449 R451 S452 R456 T457 H458F449-H454 HydrophobicContact CB-CB 4.24Å; F449-H454 HydrophobicContact CD1-CB 3.96Å; F449-H454 HydrophobicContact CG-CB 4.31Å; R451-H454 WeakPolarHBondContact CD-NE2 3.39Å; R451-H454 PolarHBondContact O-N 2.81Å; S452-H454 VanDerWaalsContact C-N 3.35Å; H454-R456 VanDerWaalsContact C-N 3.33Å; H454-R456 PolarHBondContact O-N 3.36Å; H454-T457 WeakPolarHBondContact CA-OG1 3.44Å; H454-T457 PolarHBondContact O-N 3.05Å; H454-T457 PolarHBondContact O-OG1 3.29Å; H454-H458 VanDerWaalsContact O-CB 3.29Å; H454-H458 WeakPolarHBondContact O-CB 3.41Å; H454-H458 PolarHBondContact O-N 2.89Å
455L94.1Very high91.8Very high31 Ų3167.3 Ų67.316%0.16236%0.362CS..Hα-helixtrans-58.1-46.7172.1173.161.9000110.7F440 M441 C442 F449 R451 S452 T457 H458 T459F440-L455 HydrophobicContact CB-CB 4Å; F440-L455 HydrophobicContact CB-CD2 3.78Å; F440-L455 HydrophobicContact CB-CG 4.48Å; M441-L455 WeakPolarHBondContact O-CD2 3.29Å; C442-L455 HydrophobicContact CB-CD1 3.86Å; F449-L455 HydrophobicContact CB-CB 4.38Å; F449-L455 HydrophobicContact CD2-CB 3.97Å; F449-L455 HydrophobicContact CD2-CD1 3.88Å; F449-L455 HydrophobicContact CE2-CD1 4.08Å; F449-L455 HydrophobicContact CG-CB 4.38Å; R451-L455 PolarHBondContact O-N 3.32Å; S452-L455 PolarHBondContact O-N 3.44Å; L455-T457 PolarHBondContact O-N 3.15Å; L455-H458 CarbonylContact O-C 3.54Å; L455-H458 WeakPolarHBondContact O-CA 3.39Å; L455-H458 WeakPolarHBondContact O-CB 3.47Å; L455-H458 PolarHBondContact O-N 3.01Å; L455-H458 VanDerWaalsContact O-N 3.09Å; L455-T459 HydrophobicContact CD1-CG2 3.93Å; L455-T459 HydrophobicContact CG-CG2 4.31Å; L455-T459 WeakPolarHBondContact O-CG2 3.45Å; L455-T459 PolarHBondContact O-N 2.78Å; L455-T459 PolarHBondContact O-OG1 3.29Å
456R93.1Very high91.8Very high151 Ų15171.5 Ų71.557%0.5737%0.373SS*.Hα-helixtrans-62.6-40.1179.4-174.4176.563.9-173.9-1.1113S452 D453 H454 H458 T459 R460S452-R456 PolarHBondContact O-N 3.14Å; D453-R456 PolarHBondContact O-N 2.87Å; H454-R456 VanDerWaalsContact C-N 3.33Å; H454-R456 PolarHBondContact O-N 3.36Å; R456-H458 VanDerWaalsContact C-N 3.3Å; R456-T459 WeakPolarHBondContact CA-OG1 3.39Å; R456-T459 PolarHBondContact O-OG1 3Å; R456-R460 PolarHBondContact O-N 3.47Å
457T91.9Very high91.8Very high48 Ų4868.7 Ų68.729%0.29436%0.355SS..Hα-helixtrans-68.4-33.8173.950.60000111.8D453 H454 L455 R479D453-T457 PolarHBondContact O-N 3.08Å; D453-T457 PolarHBondContact O-OG1 3.03Å; H454-T457 WeakPolarHBondContact CA-OG1 3.44Å; H454-T457 PolarHBondContact O-N 3.05Å; H454-T457 PolarHBondContact O-OG1 3.29Å; L455-T457 PolarHBondContact O-N 3.15Å; T457-R479 HydrophobicContact CG2-CG 4.03Å
458H92.4Very high91.9Very high23 Ų2363.9 Ų63.911%0.10634%0.337CS..Hα-helixtrans-69.5-41.8175.4170.765.5000111.9C442 C445 F449 H454 L455 R456 R460 S461 H462C442-H458 PolarHBondContact SG-CD2 2.89Å; C442-H458 PolarHBondContact SG-NE2 2.86Å; C445-H458 PolarHBondContact SG-NE2 2.65Å; F449-H458 HydrophobicContact CE1-CB 4.13Å; F449-H458 HydrophobicContact CE2-CB 3.81Å; F449-H458 AromaticContact CE2-CD2 3.39Å; F449-H458 WeakPolarHBondContact CE2-CD2 3.41Å; F449-H458 AromaticContact CE2-CG 3.57Å; F449-H458 HydrophobicContact CZ-CB 3.48Å; F449-H458 VanDerWaalsContact CZ-CB 3.48Å; F449-H458 AromaticContact CZ-CD2 3.58Å; F449-H458 AromaticContact CZ-CG 3.28Å; F449-H458 AromaticContact CZ-ND1 3.81Å; H454-H458 VanDerWaalsContact O-CB 3.29Å; H454-H458 WeakPolarHBondContact O-CB 3.41Å; H454-H458 PolarHBondContact O-N 2.89Å; L455-H458 CarbonylContact O-C 3.54Å; L455-H458 WeakPolarHBondContact O-CA 3.39Å; L455-H458 WeakPolarHBondContact O-CB 3.47Å; L455-H458 PolarHBondContact O-N 3.01Å; L455-H458 VanDerWaalsContact O-N 3.09Å; R456-H458 VanDerWaalsContact C-N 3.3Å; H458-R460 PolarHBondContact O-N 3.38Å; H458-R460 VanDerWaalsContact O-N 3.15Å; H458-S461 WeakPolarHBondContact O-CB 3.42Å; H458-S461 PolarHBondContact O-N 2.76Å; H458-S461 PolarHBondContact O-OG 3.01Å; H458-H462 AromaticContact CE1-NE2 3.51Å; H458-H462 AromaticContact NE2-CD2 3.67Å; H458-H462 AromaticContact NE2-NE2 3.19Å; H458-H462 PolarHBondContact NE2-NE2 2.93Å; H458-H462 VanDerWaalsContact NE2-NE2 3.19Å
459T92.2Very high91.9Very high37 Ų3764.8 Ų64.823%0.22734%0.341CS..Hα-helixtrans-61.2-27.6178.552.30000112.5L455 R456 S461 H462 T463L455-T459 HydrophobicContact CD1-CG2 3.93Å; L455-T459 HydrophobicContact CG-CG2 4.31Å; L455-T459 WeakPolarHBondContact O-CG2 3.45Å; L455-T459 PolarHBondContact O-N 2.78Å; L455-T459 PolarHBondContact O-OG1 3.29Å; R456-T459 WeakPolarHBondContact CA-OG1 3.39Å; R456-T459 PolarHBondContact O-OG1 3Å; T459-S461 PolarHBondContact O-N 2.78Å; T459-H462 WeakPolarHBondContact O-CB 3.38Å; T459-H462 PolarHBondContact O-N 3.48Å; T459-T463 PolarHBondContact O-N 2.8Å; T459-T463 PolarHBondContact O-OG1 3.38Å
460R93.5Very high92.1Very high33 Ų3362.8 Ų62.813%0.12533%0.332CS..Hα-helixtrans-63-24172.3-68.3177.7179.3163.20.7113.6R456 H458 H462 G464 E465 Y468 A478R456-R460 PolarHBondContact O-N 3.47Å; H458-R460 PolarHBondContact O-N 3.38Å; H458-R460 VanDerWaalsContact O-N 3.15Å; R460-H462 VanDerWaalsContact C-N 3.26Å; R460-G464 WeakPolarHBondContact O-CA 3.41Å; R460-G464 PolarHBondContact O-N 3.19Å; R460-E465 HydrophobicContact CG-CB 4.22Å; R460-Y468 VanDerWaalsContact NH1-CE2 3.31Å; R460-A478 HydrophobicContact CB-CB 4.45Å; R460-A478 WeakPolarHBondContact CD-O 3.36Å; R460-A478 PolarHBondContact NH1-O 3.27Å
461S92.1Very high92.1Very high85 Ų8569 Ų6959%0.59436%0.356SS*.Hα-helixtrans-71.1-25172.876.30000112.4H458 T459H458-S461 WeakPolarHBondContact O-CB 3.42Å; H458-S461 PolarHBondContact O-N 2.76Å; H458-S461 PolarHBondContact O-OG 3.01Å; T459-S461 PolarHBondContact O-N 2.78Å
462H91.8Very high92Very high77 Ų7769.1 Ų69.136%0.35637%0.369SS..Hα-helixtrans-84.9-44.1175.5-68.4-70.3000112Y444 H458 T459 R460 G464Y444-H462 HydrophobicContact CD2-CB 3.61Å; Y444-H462 AromaticContact CD2-CD2 3.81Å; Y444-H462 AromaticContact CD2-CG 3.74Å; Y444-H462 HydrophobicContact CE2-CB 4.15Å; Y444-H462 HydrophobicContact CG-CB 3.94Å; Y444-H462 AromaticContact CG-CG 3.86Å; H458-H462 AromaticContact CE1-NE2 3.51Å; H458-H462 AromaticContact NE2-CD2 3.67Å; H458-H462 AromaticContact NE2-NE2 3.19Å; H458-H462 PolarHBondContact NE2-NE2 2.93Å; H458-H462 VanDerWaalsContact NE2-NE2 3.19Å; T459-H462 WeakPolarHBondContact O-CB 3.38Å; T459-H462 PolarHBondContact O-N 3.48Å; R460-H462 VanDerWaalsContact C-N 3.26Å; H462-G464 VanDerWaalsContact C-N 3.31Å; H462-G464 PolarHBondContact O-N 2.88Å
463T91.4Very high91.9Very high67 Ų6766.9 Ų66.941%0.41135%0.353SS..Hα-helixtrans-78.3-16.2-178.561.70000113.4T459 E465T459-T463 PolarHBondContact O-N 2.8Å; T459-T463 PolarHBondContact O-OG1 3.38Å; T463-E465 PolarHBondContact O-N 2.76Å; T463-E465 WeakPolarHBondContact OG1-CG 3.35Å; T463-E465 PolarHBondContact OG1-N 3.09Å
464G90.5Very high91.9Very high46 Ų4666.8 Ų66.847%0.47436%0.364SS..  trans719.5-174.100000113.7R460 H462 R466R460-G464 WeakPolarHBondContact O-CA 3.41Å; R460-G464 PolarHBondContact O-N 3.19Å; H462-G464 VanDerWaalsContact C-N 3.31Å; H462-G464 PolarHBondContact O-N 2.88Å; G464-R466 PolarHBondContact O-N 3.08Å
465E91.9Very high91.8Very high111 Ų11170.2 Ų70.252%0.51937%0.374SS..  trans-64.8127.1178.8-77.3-179.3-172.800111.6R460 T463R460-E465 HydrophobicContact CG-CB 4.22Å; T463-E465 PolarHBondContact O-N 2.76Å; T463-E465 WeakPolarHBondContact OG1-CG 3.35Å; T463-E465 PolarHBondContact OG1-N 3.09Å
466R92.9Very high91.8Very high119 Ų11974.8 Ų74.845%0.44939%0.392SS..  trans-127.381.3176.5-67.2179171.4166.94110.5G464 Y468 K476 F477 A478 N507G464-R466 PolarHBondContact O-N 3.08Å; R466-Y468 VanDerWaalsContact C-N 3.3Å; R466-Y468 PolarHBondContact O-N 3.39Å; R466-K476 HydrophobicContact CB-CB 3.61Å; R466-K476 WeakPolarHBondContact CD-O 2.92Å; R466-F477 CarbonylContact C-O 3.53Å; R466-F477 VanDerWaalsContact CA-O 3.25Å; R466-F477 WeakPolarHBondContact CA-O 3.48Å; R466-A478 HydrophobicContact CG-CB 4.49Å; R466-N507 PolarHBondContact NH1-OD1 3.2Å
467P91.7Very high91.8Very high68 Ų6868.7 Ų68.744%0.44237%0.37SS..  trans-72.3-20-171.7-19.133.4000114.4
468Y93.3Very high91.7Very high63 Ų6367.4 Ų67.425%0.24736%0.364CS..EExtended strand (participates in β ladder)trans-98.6104.4-171.1-56.7-76.5000110.8R460 R466 K476 F477 A478 R479 S480R460-Y468 VanDerWaalsContact NH1-CE2 3.31Å; R466-Y468 VanDerWaalsContact C-N 3.3Å; R466-Y468 PolarHBondContact O-N 3.39Å; Y468-K476 CarbonylContact O-C 3.53Å; Y468-K476 WeakPolarHBondContact O-CA 3.42Å; Y468-F477 PolarHBondContact N-O 3.19Å; Y468-F477 VanDerWaalsContact N-O 3.09Å; Y468-F477 PolarHBondContact O-N 2.72Å; Y468-A478 WeakPolarHBondContact CE2-O 3.48Å; Y468-R479 WeakPolarHBondContact CD2-O 3.16Å; Y468-R479 VanDerWaalsContact CE2-C 3.48Å; Y468-S480 VanDerWaalsContact CE2-N 3.33Å
469T92.5Very high91.7Very high63 Ų6371.1 Ų71.139%0.38738%0.377SS..EExtended strand (participates in β ladder)trans-86.6137.6174.4450000111.3R475 K476 R483T469-R475 CarbonylContact C-O 3.57Å; T469-R475 WeakPolarHBondContact CA-O 3.45Å; T469-K476 HydrophobicContact CG2-CD 4.28Å; T469-K476 HydrophobicContact CG2-CG 3.73Å; T469-R483 WeakPolarHBondContact O-CD 3.25Å
470C93.5Very high91.7Very high1 Ų171.9 Ų71.91%0.00738%0.384CS..  trans-77.8123.7163.5-171.70000109.1S472 C473 G474 R475 F477 H486 H490C470-S472 VanDerWaalsContact C-N 3.26Å; C470-S472 PolarHBondContact O-N 3.22Å; C470-C473 VanDerWaalsContact CB-SG 3.59Å; C470-G474 VanDerWaalsContact O-CA 3.27Å; C470-G474 WeakPolarHBondContact O-CA 3.02Å; C470-G474 PolarHBondContact O-N 3.23Å; C470-R475 PolarHBondContact N-O 2.79Å; C470-F477 HydrophobicContact CB-CE2 4.16Å; C470-H486 VanDerWaalsContact SG-CD2 3.52Å; C470-H490 PolarHBondContact SG-CD2 2.82Å; C470-H490 PolarHBondContact SG-NE2 2.81Å
471E90Very high91.5Very high149 Ų14974.1 Ų74.170%0.69640%0.398SS*.THydrogen-bonded Turntrans-67.8-26.3179.7-69.3148.3173.600112.6K487E471-K487 IonicContact OE2-NZ 2.72Å; E471-K487 PolarHBondContact OE2-NZ 3.01Å
472S88.2Confident91.5Very high78 Ų7872 Ų7255%0.54538%0.379SS..THydrogen-bonded Turntrans-81-24.9-177.1-51.60000114C470 H490C470-S472 VanDerWaalsContact C-N 3.26Å; C470-S472 PolarHBondContact O-N 3.22Å; S472-H490 VanDerWaalsContact CB-CD2 3.46Å; S472-H490 WeakPolarHBondContact CB-CD2 3.22Å
473C91Very high91.6Very high22 Ų2271.3 Ų71.315%0.14937%0.373CS..THydrogen-bonded Turntrans-139.50.8-175.5700000115.2C470 R475 H486 H490 H499C470-C473 VanDerWaalsContact CB-SG 3.59Å; C473-R475 PolarHBondContact O-N 2.8Å; C473-R475 VanDerWaalsContact O-N 3.13Å; C473-R475 WeakPolarHBondContact SG-CB 3.44Å; C473-R475 PolarHBondContact SG-N 3.47Å; C473-H486 PolarHBondContact SG-NE2 3.32Å; C473-H490 VanDerWaalsContact CB-CE1 3.49Å; C473-H490 WeakPolarHBondContact CB-CE1 3.39Å; C473-H490 PolarHBondContact SG-NE2 2.88Å; C473-H499 HydrophobicContact CB-CB 4.49Å
474G90.7Very high91.6Very high49 Ų4971.6 Ų71.651%0.50538%0.375SS..  trans74-5.6-178.900000115.7C470 K476C470-G474 VanDerWaalsContact O-CA 3.27Å; C470-G474 WeakPolarHBondContact O-CA 3.02Å; C470-G474 PolarHBondContact O-N 3.23Å; G474-K476 PolarHBondContact O-N 3.33Å
475R90.2Very high91.5Very high154 Ų15477.2 Ų77.258%0.58138%0.382SS*.  trans-62.6131.1-177-168.8167.6179.6175.63.4111.8T469 C470 C473 F477T469-R475 CarbonylContact C-O 3.57Å; T469-R475 WeakPolarHBondContact CA-O 3.45Å; C470-R475 PolarHBondContact N-O 2.79Å; C473-R475 PolarHBondContact O-N 2.8Å; C473-R475 VanDerWaalsContact O-N 3.13Å; C473-R475 WeakPolarHBondContact SG-CB 3.44Å; C473-R475 PolarHBondContact SG-N 3.47Å; R475-F477 HydrophobicContact CB-CE2 3.91Å; R475-F477 HydrophobicContact CB-CZ 4.05Å; R475-F477 HydrophobicContact CG-CE1 4.3Å; R475-F477 HydrophobicContact CG-CE2 3.87Å; R475-F477 HydrophobicContact CG-CZ 3.62Å; R475-F477 WeakPolarHBondContact O-CD2 3.47Å; R475-F477 WeakPolarHBondContact O-CE2 3.49Å
476K93.8Very high91.4Very high126 Ų12673.1 Ų73.155%0.54836%0.363SS..EExtended strand (participates in β ladder)trans-96138.9-179-58.9-171.4179.1-179.70111.7R466 Y468 T469 G474R466-K476 HydrophobicContact CB-CB 3.61Å; R466-K476 WeakPolarHBondContact CD-O 2.92Å; Y468-K476 CarbonylContact O-C 3.53Å; Y468-K476 WeakPolarHBondContact O-CA 3.42Å; T469-K476 HydrophobicContact CG2-CD 4.28Å; T469-K476 HydrophobicContact CG2-CG 3.73Å; G474-K476 PolarHBondContact O-N 3.33Å
477F91.8Very high91.2Very high24 Ų2470.6 Ų70.611%0.10536%0.355CS..EExtended strand (participates in β ladder)trans-127.8151.2-179.2-60-84.9000111.6R466 Y468 C470 R475 E482 R483 H486R466-F477 CarbonylContact C-O 3.53Å; R466-F477 VanDerWaalsContact CA-O 3.25Å; R466-F477 WeakPolarHBondContact CA-O 3.48Å; Y468-F477 PolarHBondContact N-O 3.19Å; Y468-F477 VanDerWaalsContact N-O 3.09Å; Y468-F477 PolarHBondContact O-N 2.72Å; C470-F477 HydrophobicContact CB-CE2 4.16Å; R475-F477 HydrophobicContact CB-CE2 3.91Å; R475-F477 HydrophobicContact CB-CZ 4.05Å; R475-F477 HydrophobicContact CG-CE1 4.3Å; R475-F477 HydrophobicContact CG-CE2 3.87Å; R475-F477 HydrophobicContact CG-CZ 3.62Å; R475-F477 WeakPolarHBondContact O-CD2 3.47Å; R475-F477 WeakPolarHBondContact O-CE2 3.49Å; F477-E482 HydrophobicContact CB-CB 4Å; F477-E482 HydrophobicContact CD1-CB 3.81Å; F477-E482 HydrophobicContact CG-CB 4.15Å; F477-R483 HydrophobicContact CB-CB 4.2Å; F477-R483 HydrophobicContact CD2-CB 3.69Å; F477-R483 HydrophobicContact CD2-CG 4.01Å; F477-R483 HydrophobicContact CE2-CB 4.42Å; F477-R483 HydrophobicContact CE2-CG 4.47Å; F477-R483 HydrophobicContact CG-CB 4.11Å; F477-H486 HydrophobicContact CE1-CB 3.97Å; F477-H486 HydrophobicContact CE2-CB 3.94Å; F477-H486 AromaticContact CE2-CD2 3.45Å; F477-H486 VanDerWaalsContact CE2-CD2 3.45Å; F477-H486 WeakPolarHBondContact CE2-CD2 3.39Å; F477-H486 AromaticContact CE2-CG 3.76Å; F477-H486 HydrophobicContact CZ-CB 3.42Å; F477-H486 VanDerWaalsContact CZ-CB 3.42Å; F477-H486 AromaticContact CZ-CD2 3.39Å; F477-H486 WeakPolarHBondContact CZ-CD2 3.46Å; F477-H486 AromaticContact CZ-CG 3.23Å; F477-H486 AromaticContact CZ-ND1 3.8Å; F477-H486 AromaticContact CZ-NE2 3.96Å
478A91.3Very high91Very high20 Ų2074.5 Ų74.517%0.16537%0.365CS..SBendtrans-81.6-26.2-179.400000112.1R460 R466 Y468 E482R460-A478 HydrophobicContact CB-CB 4.45Å; R460-A478 WeakPolarHBondContact CD-O 3.36Å; R460-A478 PolarHBondContact NH1-O 3.27Å; R466-A478 HydrophobicContact CG-CB 4.49Å; Y468-A478 WeakPolarHBondContact CE2-O 3.48Å; A478-E482 PolarHBondContact N-OE2 3.45Å
479R90.9Very high90.7Very high102 Ų10274.2 Ų74.239%0.38537%0.369SS..SBendtrans-125.7154.8176.8-52.2179.7-80.8169.9-4.6112.8T457 Y468 D481 E482 R483T457-R479 HydrophobicContact CG2-CG 4.03Å; Y468-R479 WeakPolarHBondContact CD2-O 3.16Å; Y468-R479 VanDerWaalsContact CE2-C 3.48Å; R479-D481 WeakPolarHBondContact CB-OD1 3.35Å; R479-D481 IonicContact CZ-OD2 3.41Å; R479-D481 IonicContact NH1-OD2 3.5Å; R479-E482 HydrophobicContact CB-CG 4.12Å; R479-E482 IonicContact CZ-OE1 3.79Å; R479-E482 PolarHBondContact N-OE2 3.28Å; R479-E482 VanDerWaalsContact N-OE2 3.08Å; R479-E482 IonicContact NE-OE1 2.78Å; R479-E482 PolarHBondContact NE-OE1 3.05Å; R479-E482 IonicContact NH2-OE1 3.64Å; R479-E482 PolarHBondContact NH2-OE1 3.4Å; R479-R483 PolarHBondContact O-N 3.38Å
480S92.1Very high90.3Very high52 Ų5271.8 Ų71.836%0.36435%0.354SS..Hα-helixtrans-71.4-35.3-176.753.20000112.6Y468 R483 T484Y468-S480 VanDerWaalsContact CE2-N 3.33Å; S480-R483 PolarHBondContact O-N 3.4Å; S480-T484 PolarHBondContact O-N 3.03Å; S480-T484 PolarHBondContact O-OG1 3.27Å
481D90.6Very high89.4Confident81 Ų8179.1 Ų79.143%0.43339%0.393SS..Hα-helixtrans-62.4-41175.155.3-54000111.7R479 R483 T484 R485R479-D481 WeakPolarHBondContact CB-OD1 3.35Å; R479-D481 IonicContact CZ-OD2 3.41Å; R479-D481 IonicContact NH1-OD2 3.5Å; D481-R483 PolarHBondContact O-N 3.13Å; D481-T484 PolarHBondContact O-N 3.07Å; D481-R485 WeakPolarHBondContact O-CB 3.45Å; D481-R485 PolarHBondContact O-N 3.39Å
482E91.3Very high88.2Confident39 Ų3976.2 Ų76.218%0.18239%0.388CS..Hα-helixtrans-59.2-46.6173.8-66.6168.8173.700111.4F477 A478 R479 H486F477-E482 HydrophobicContact CB-CB 4Å; F477-E482 HydrophobicContact CD1-CB 3.81Å; F477-E482 HydrophobicContact CG-CB 4.15Å; A478-E482 PolarHBondContact N-OE2 3.45Å; R479-E482 HydrophobicContact CB-CG 4.12Å; R479-E482 IonicContact CZ-OE1 3.79Å; R479-E482 PolarHBondContact N-OE2 3.28Å; R479-E482 VanDerWaalsContact N-OE2 3.08Å; R479-E482 IonicContact NE-OE1 2.78Å; R479-E482 PolarHBondContact NE-OE1 3.05Å; R479-E482 IonicContact NH2-OE1 3.64Å; R479-E482 PolarHBondContact NH2-OE1 3.4Å; E482-H486 VanDerWaalsContact O-CB 3.3Å; E482-H486 WeakPolarHBondContact O-CB 3.5Å; E482-H486 PolarHBondContact O-N 3.27Å
483R93.9Very high86.8Confident64 Ų6475.3 Ų75.324%0.24239%0.391CS..Hα-helixtrans-61.7-46.4174.3-177.3-161.760.4172.43.3111.2T469 F477 R479 S480 D481 H486 K487T469-R483 WeakPolarHBondContact O-CD 3.25Å; F477-R483 HydrophobicContact CB-CB 4.2Å; F477-R483 HydrophobicContact CD2-CB 3.69Å; F477-R483 HydrophobicContact CD2-CG 4.01Å; F477-R483 HydrophobicContact CE2-CB 4.42Å; F477-R483 HydrophobicContact CE2-CG 4.47Å; F477-R483 HydrophobicContact CG-CB 4.11Å; R479-R483 PolarHBondContact O-N 3.38Å; S480-R483 PolarHBondContact O-N 3.4Å; D481-R483 PolarHBondContact O-N 3.13Å; R483-H486 CarbonylContact O-C 3.2Å; R483-H486 WeakPolarHBondContact O-CB 3.27Å; R483-H486 PolarHBondContact O-N 3.5Å; R483-K487 WeakPolarHBondContact O-CG 3.39Å; R483-K487 PolarHBondContact O-N 2.83Å
484T91Very high85.3Confident73 Ų7380.6 Ų80.645%0.44842%0.417SS..Hα-helixtrans-63.6-42.3-178.9-61.20000111.6S480 D481 H486 K487 K488S480-T484 PolarHBondContact O-N 3.03Å; S480-T484 PolarHBondContact O-OG1 3.27Å; D481-T484 PolarHBondContact O-N 3.07Å; T484-H486 VanDerWaalsContact C-N 3.31Å; T484-H486 PolarHBondContact O-N 3.14Å; T484-K487 PolarHBondContact O-N 2.94Å; T484-K488 PolarHBondContact O-N 3.49Å
485R89.3Confident83.6Confident163 Ų16381 Ų8162%0.61541%0.407SS*.Hα-helixtrans-61.7-42.8173.9-175.4172.565.8176.62110.9D481 K488D481-R485 WeakPolarHBondContact O-CB 3.45Å; D481-R485 PolarHBondContact O-N 3.39Å; R485-K488 WeakPolarHBondContact O-CB 3.45Å; R485-K488 PolarHBondContact O-N 3.41Å
486H90.5Very high81.9Confident26 Ų2681.9 Ų81.912%0.1242%0.415CS..Hα-helixtrans-65.1-37.7175.5172.273.7000113.2C470 C473 F477 E482 R483 T484 K488 V489 H490C470-H486 VanDerWaalsContact SG-CD2 3.52Å; C473-H486 PolarHBondContact SG-NE2 3.32Å; F477-H486 HydrophobicContact CE1-CB 3.97Å; F477-H486 HydrophobicContact CE2-CB 3.94Å; F477-H486 AromaticContact CE2-CD2 3.45Å; F477-H486 VanDerWaalsContact CE2-CD2 3.45Å; F477-H486 WeakPolarHBondContact CE2-CD2 3.39Å; F477-H486 AromaticContact CE2-CG 3.76Å; F477-H486 HydrophobicContact CZ-CB 3.42Å; F477-H486 VanDerWaalsContact CZ-CB 3.42Å; F477-H486 AromaticContact CZ-CD2 3.39Å; F477-H486 WeakPolarHBondContact CZ-CD2 3.46Å; F477-H486 AromaticContact CZ-CG 3.23Å; F477-H486 AromaticContact CZ-ND1 3.8Å; F477-H486 AromaticContact CZ-NE2 3.96Å; E482-H486 VanDerWaalsContact O-CB 3.3Å; E482-H486 WeakPolarHBondContact O-CB 3.5Å; E482-H486 PolarHBondContact O-N 3.27Å; R483-H486 CarbonylContact O-C 3.2Å; R483-H486 WeakPolarHBondContact O-CB 3.27Å; R483-H486 PolarHBondContact O-N 3.5Å; T484-H486 VanDerWaalsContact C-N 3.31Å; T484-H486 PolarHBondContact O-N 3.14Å; H486-K488 PolarHBondContact O-N 3.25Å; H486-K488 VanDerWaalsContact O-N 3.14Å; H486-V489 WeakPolarHBondContact O-CB 3.3Å; H486-V489 WeakPolarHBondContact O-CG2 3.21Å; H486-V489 PolarHBondContact O-N 3.17Å; H486-H490 AromaticContact CD2-NE2 3.77Å; H486-H490 AromaticContact CE1-NE2 3.67Å; H486-H490 AromaticContact NE2-CD2 3.96Å; H486-H490 AromaticContact NE2-CE1 3.9Å; H486-H490 AromaticContact NE2-NE2 3.07Å; H486-H490 PolarHBondContact NE2-NE2 3.3Å
487K87.9Confident79.7Confident66 Ų6684.1 Ų84.129%0.28743%0.428SS..Hα-helixtrans-55.8-31.5175.2-79.3-170170.3-158.50112.4E471 R483 T484 V489 H490 N491E471-K487 IonicContact OE2-NZ 2.72Å; E471-K487 PolarHBondContact OE2-NZ 3.01Å; R483-K487 WeakPolarHBondContact O-CG 3.39Å; R483-K487 PolarHBondContact O-N 2.83Å; T484-K487 PolarHBondContact O-N 2.94Å; K487-V489 PolarHBondContact O-N 2.89Å; K487-H490 WeakPolarHBondContact O-CB 3.5Å; K487-H490 PolarHBondContact O-N 3.23Å; K487-N491 PolarHBondContact O-N 3.27Å
488K87.8Confident77.9Confident149 Ų14988.9 Ų88.965%0.64845%0.453SS*.Hα-helixtrans-63.7-27.2175.1-61-174.8177.4-1740113.1T484 R485 H486 H490 N491 C492T484-K488 PolarHBondContact O-N 3.49Å; R485-K488 WeakPolarHBondContact O-CB 3.45Å; R485-K488 PolarHBondContact O-N 3.41Å; H486-K488 PolarHBondContact O-N 3.25Å; H486-K488 VanDerWaalsContact O-N 3.14Å; K488-H490 VanDerWaalsContact C-N 3.31Å; K488-H490 PolarHBondContact O-N 3.13Å; K488-N491 PolarHBondContact O-N 3.42Å; K488-C492 PolarHBondContact O-N 3.32Å
489V87.3Confident76Confident57 Ų5793.9 Ų93.935%0.34547%0.473SS..Hα-helixtrans-65.2-37.7175.7-174.90000110.7H486 K487 N491 C492 I495H486-V489 WeakPolarHBondContact O-CB 3.3Å; H486-V489 WeakPolarHBondContact O-CG2 3.21Å; H486-V489 PolarHBondContact O-N 3.17Å; K487-V489 PolarHBondContact O-N 2.89Å; V489-N491 VanDerWaalsContact C-N 3.34Å; V489-C492 PolarHBondContact O-N 2.66Å; V489-I495 HydrophobicContact CG1-CD1 3.69Å; V489-I495 HydrophobicContact CG1-CG1 4.23Å
490H83.5Confident73.6Confident13 Ų1395 Ų956%0.0650%0.496CS..Hα-helixtrans-68.9-33.9173.8-61.8-57.2000112.6C470 S472 C473 H486 K487 K488 C492 G493 I495C470-H490 PolarHBondContact SG-CD2 2.82Å; C470-H490 PolarHBondContact SG-NE2 2.81Å; S472-H490 VanDerWaalsContact CB-CD2 3.46Å; S472-H490 WeakPolarHBondContact CB-CD2 3.22Å; C473-H490 VanDerWaalsContact CB-CE1 3.49Å; C473-H490 WeakPolarHBondContact CB-CE1 3.39Å; C473-H490 PolarHBondContact SG-NE2 2.88Å; H486-H490 AromaticContact CD2-NE2 3.77Å; H486-H490 AromaticContact CE1-NE2 3.67Å; H486-H490 AromaticContact NE2-CD2 3.96Å; H486-H490 AromaticContact NE2-CE1 3.9Å; H486-H490 AromaticContact NE2-NE2 3.07Å; H486-H490 PolarHBondContact NE2-NE2 3.3Å; K487-H490 WeakPolarHBondContact O-CB 3.5Å; K487-H490 PolarHBondContact O-N 3.23Å; K488-H490 VanDerWaalsContact C-N 3.31Å; K488-H490 PolarHBondContact O-N 3.13Å; H490-C492 PolarHBondContact O-N 2.68Å; H490-G493 PolarHBondContact O-N 3.34Å; H490-I495 PolarHBondContact ND1-O 3.32Å
491N74.2Confident70.7Confident155 Ų15595.8 Ų95.883%0.82951%0.512SS*.Hα-helixtrans-72.6-19.1177.6-147.148000112.8K487 K488 V489 G493K487-N491 PolarHBondContact O-N 3.27Å; K488-N491 PolarHBondContact O-N 3.42Å; V489-N491 VanDerWaalsContact C-N 3.34Å; N491-G493 PolarHBondContact O-N 3.42Å
492C64.9Low68Low87 Ų8799.6 Ų99.659%0.58853%0.527SS*.THydrogen-bonded Turntrans-80.37.4174.7-160.80000113.4K488 V489 H490 L494K488-C492 PolarHBondContact O-N 3.32Å; V489-C492 PolarHBondContact O-N 2.66Å; H490-C492 PolarHBondContact O-N 2.68Å; C492-L494 PolarHBondContact O-N 3.34Å
493G58.5Low65Low59 Ų59103.2 Ų103.261%0.60856%0.557SS**THydrogen-bonded Turntrans71.9-8.6176.500000116H490 N491H490-G493 PolarHBondContact O-N 3.34Å; N491-G493 PolarHBondContact O-N 3.42Å
494L59.2Low62.1Low134 Ų134105.5 Ų105.570%0.70258%0.583SS**SBendtrans-79.5-18.2-169.8-80.5160.5000115.2C492C492-L494 PolarHBondContact O-N 3.34Å
495I55Low59.4Low57 Ų57109.4 Ų109.429%0.29259%0.594SS.*  trans-14788.9-174.3-46.4178.7000110.2V489 H490V489-I495 HydrophobicContact CG1-CD1 3.69Å; V489-I495 HydrophobicContact CG1-CG1 4.23Å; H490-I495 PolarHBondContact ND1-O 3.32Å
496K54.8Low56.8Low173 Ų173105.4 Ų105.475%0.75259%0.59SS**SBendtrans-111.4-10.5165.7-74.7-175.6179.3176.80113.6
497E48.9Very low54.2Low173 Ų173109.6 Ų109.681%0.80861%0.614SS**SBendtrans-123.55-162-60.4-152.6154.300117.9
498I54Low51.5Low124 Ų124114.3 Ų114.364%0.63663%0.634SS**SBendtrans-99-9.7-167.7-54.3178.5000115
499H50.1Low48.8Very low125 Ų125113.9 Ų113.958%0.57964%0.644SS**SBendtrans-133.316.4-167.2-63.4-55.8000117.1C473 G501C473-H499 HydrophobicContact CB-CB 4.49Å; H499-G501 PolarHBondContact O-N 2.8Å
500S40.8Very low46.1Very low125 Ų125114.4 Ų114.487%0.87466%0.655SS**THydrogen-bonded Turntrans-78.81.7177.949.30000114.8
501G32Very low43.6Very low68 Ų68122.9 Ų122.970%0.70169%0.694SS**THydrogen-bonded Turntrans-14040.9-168.800000115.9H499H499-G501 PolarHBondContact O-N 2.8Å
502E33.1Very low41.6Very low161 Ų161122.5 Ų122.575%0.75269%0.691SS**  trans-153.478.1165.5-106.2167.7-139.700110.2S504E502-S504 PolarHBondContact O-N 3.49Å
503S29.5Very low39.6Very low116 Ų116123.3 Ų123.381%0.81170%0.695SS**THydrogen-bonded Turntrans-55128153.751.20000108.2
504S31.3Very low38.1Very low111 Ų111125.1 Ų125.178%0.77670%0.697SS**THydrogen-bonded Turntrans87.249.4178.787.50000118.7E502 S506E502-S504 PolarHBondContact O-N 3.49Å; S504-S506 PolarHBondContact O-N 3.33Å
505F35.4Very low36.7Very low156 Ų156124.4 Ų124.468%0.68470%0.701SS**  trans-87.374.1141.8-141.1-91.1000109.2N507F505-N507 PolarHBondContact O-N 3.07Å
506S33.5Very low35.6Very low78 Ų78129.4 Ų129.455%0.54572%0.723SS.*  trans-55128.915747.30000107.7S504 K508S504-S506 PolarHBondContact O-N 3.33Å; S506-K508 PolarHBondContact O-N 3.35Å
507N36.4Very low34.3Very low115 Ų115128.7 Ų128.762%0.61572%0.722SS**SBendtrans-59.278.3170.4-72.7-56.7000110.4R466 F505R466-N507 PolarHBondContact NH1-OD1 3.2Å; F505-N507 PolarHBondContact O-N 3.07Å
508K30.4Very low33.4Very low165 Ų165129.3 Ų129.372%0.71773%0.725SS**  trans-131.8129.9164.5-73.4-174.7176.8-179.20105.5S506S506-K508 PolarHBondContact O-N 3.35Å
509T31.3Very low32.2Very low139 Ų139129.8 Ų129.885%0.85373%0.728SS**SBendtrans86.2108.9-162.1-33.70000111.3
510A31.3Very low31.2Very low68 Ų68131.6 Ų131.656%0.56274%0.741SS**  cis-136.6146.87.600000106.6I512A510-I512 PolarHBondContact O-N 3.33Å
511Q31.3Very low30.5Very low192 Ų192130.8 Ų130.890%0.89773%0.731SS**  1160.691-76.9173.1-18.300112.5P513Q511-P513 WeakPolarHBondContact O-CD 3.49Å
512I31.2Very low30.5Very low146 Ų146136 Ų13675%0.74973%0.731SS**  trans-72.8106.2140.9-60.7173.4000101.5A510 C514A510-I512 PolarHBondContact O-N 3.33Å; I512-C514 PolarHBondContact O-N 3.43Å; I512-C514 VanDerWaalsContact O-N 3.13Å
513P24.7Very low30.2Very low104 Ų104132.1 Ų132.168%0.67572%0.722SS**  trans-52.4128.8164-13.829.2000104.7Q511Q511-P513 WeakPolarHBondContact O-CD 3.49Å
514C26.8Very low30.2Very low97 Ų97135.3 Ų135.366%0.65572%0.723SS**  trans-40.4136.6155.2-170.70000106.6I512 Q516I512-C514 PolarHBondContact O-N 3.43Å; I512-C514 VanDerWaalsContact O-N 3.13Å; C514-Q516 PolarHBondContact O-N 3.24Å
515P29.6Very low30.1Very low120 Ų120138 Ų13878%0.77972%0.724SS**  trans-56.796.1161.2-11.425000105
516Q32.2Very low30Very low161 Ų161137 Ų13775%0.75272%0.722SS**  trans-77.3122.3170-149.7167.5-33.100103.1C514C514-Q516 PolarHBondContact O-N 3.24Å
517E27.2Very low30.2Very low158 Ų158139.7 Ų139.774%0.73873%0.729SS**  trans77.7111.6170.1-56164.7-166.900113.5
518Q29.5Very low29.9Very low187 Ų187143.5 Ų143.587%0.87475%0.748SS**  -124.4130.452.5-59-165.3-59.200113.5D520Q518-D520 PolarHBondContact O-N 3.21Å
519I28.1Very low29.9Very low134 Ų134139.8 Ų139.869%0.68774%0.743SS**  trans-294.3137.1-51.9167.6000113.1T521I519-T521 WeakPolarHBondContact CG2-OG1 3.42Å
520D29.7Very low30.5Very low163 Ų163139 Ų13987%0.87274%0.738SS**  trans-115.262.8137.1-81.2-29.6000106.4Q518 Y522Q518-D520 PolarHBondContact O-N 3.21Å; D520-Y522 PolarHBondContact O-N 3.4Å
521T26.3Very low30.5Very low108 Ų108140.8 Ų140.866%0.66375%0.746SS**  trans-65.385.8145.751.40000106.7I519I519-T521 WeakPolarHBondContact CG2-OG1 3.42Å
522Y31.5Very low30.8Very low176 Ų176136.6 Ų136.669%0.6973%0.734SS**  trans-123.587.8144.5-127.4-95000107D520 H524D520-Y522 PolarHBondContact O-N 3.4Å; Y522-H524 VanDerWaalsContact C-N 3.33Å; Y522-H524 PolarHBondContact O-N 3.5Å
523S26.5Very low31.3Very low80 Ų80136.6 Ų136.656%0.55973%0.734SS**  trans-34.5108.2136.142.50000107.8E525S523-E525 PolarHBondContact O-N 3.33Å
524H29.8Very low31.4Very low183 Ų183138.7 Ų138.785%0.84773%0.734SS**SBendtrans-71.866.5170.5-169.6-73.4000107.9Y522Y522-H524 VanDerWaalsContact C-N 3.33Å; Y522-H524 PolarHBondContact O-N 3.5Å
525E29.1Very low31.9Very low168 Ų168139 Ų13979%0.78573%0.733SS**  trans174.894178-104.2170.8-168.600105.4S523S523-E525 PolarHBondContact O-N 3.33Å
526Q33.6Very low31.9Very low136 Ų136137.3 Ų137.364%0.63672%0.724SS**SBendtrans-174.399.7146.7-84.8-97.7-17.400106.9
527L37.4Very low31.7Very low134 Ų134136 Ų13670%0.70272%0.721SS**  trans73.775.4145.4-49.8177.1000118.4S529L527-S529 PolarHBondContact O-N 3.49Å; L527-S529 VanDerWaalsContact O-N 3.08Å
528L29.9Very low31.8Very low194 Ų194136.8 Ų136.8100%1.01673%0.725SS**  trans-62.787.7134.3-82.8135.5000108.5
529S31.6Very low31.7Very low88 Ų88132.7 Ų132.762%0.61572%0.717SS**  trans-166.7100.3167.8174.10000104.1L527L527-S529 PolarHBondContact O-N 3.49Å; L527-S529 VanDerWaalsContact O-N 3.08Å
530T42.4Very low31.9Very low123 Ų123130.1 Ų130.176%0.75571%0.711SS**  -148.9114.858.144.90000109.8
531S32.4Very low31.7Very low104 Ų104129.4 Ų129.473%0.72770%0.697SS**  trans-61.8167.7145.352.10000109.2
532V36.4Very low32Very low105 Ų105131.6 Ų131.664%0.63670%0.703SS**  trans78.6108.5176.2-156.50000110.1
533I41.7Very low32Very low146 Ų146128.6 Ų128.675%0.74971%0.709SS**  -14693.358.2-64156.5000105.7
534H28.1Very low32.2Very low147 Ų147130.2 Ų130.268%0.68172%0.72SS**  13.597.194.6-163.8-85.9000112.8
535T36.6Very low32.3Very low104 Ų104128 Ų12864%0.63872%0.718SS**  176.2114123.937.50000107.7
536S30.3Very low32.3Very low84 Ų84125.8 Ų125.859%0.58772%0.717SS**  87.8116.381.1-150.40000110
537I28.3Very low32.2Very low134 Ų134128.9 Ų128.969%0.68773%0.728SS**  trans76.3120.5133.1-66.5172.8000117.3
538Q28.7Very low32.2Very low175 Ų175131.1 Ų131.182%0.81874%0.735SS**  trans37.8114.8143.1-61.6-178.8-65.300119.2
539S27.7Very low32.3Very low101 Ų101126.7 Ų126.771%0.70672%0.718SS**  156107.2125.4-80.50000106.9
540S31.8Very low32.8Very low79 Ų79128 Ų12855%0.55273%0.727SS**  63.9149.388.864.90000113
541Y26.3Very low32.4Very low149 Ų149128.2 Ų128.258%0.58473%0.728SS**  trans82.4117.6178.6-46-71.1000113.1
542L32.6Very low32.5Very low153 Ų153133.2 Ų133.280%0.80173%0.733SS**SBendcis-155.7123.417.1-63.9163.6000105.7
543S31.3Very low32.6Very low114 Ų114132.9 Ų132.980%0.79773%0.731SS**SBend-175.295.989.9-59.30000105.5
544S30.3Very low32.1Very low114 Ų114132 Ų13280%0.79774%0.735SS**SBend-176.2132.6101.1-55.30000107.9
545V32.2Very low32.4Very low135 Ų135132.6 Ų132.682%0.81874%0.741SS**  trans85.784.4161.3-159.20000118.7
546T27.8Very low32.3Very low122 Ų122131.8 Ų131.875%0.74874%0.738SS**  trans29.1112.5137.857.40000122.7
547F33.3Very low32.2Very low201 Ų201139.4 Ų139.488%0.88275%0.754SS**  169.7155.3122.5-122.9-110.7000112.7
548Q36.5Very low32.5Very low181 Ų181142.6 Ų142.685%0.84677%0.766SS**  trans-89.3168.2-153.3-62-149.2-5500119.9
549P32Very low32.4Very low102 Ų102140.2 Ų140.266%0.66276%0.763SS**  trans-111.5154.2-175.839.2-27.9000116.9
550S41.3Very low32.8Very low114 Ų114142.2 Ų142.280%0.79777%0.772SS**  trans-160.5115.515974.60000116.8
551V33.9Very low32.6Very low129 Ų129143.8 Ų143.878%0.78278%0.783SS**  trans26.8128137.4-146.50000122.2
552Y34.9Very low33Very low209 Ų209144.7 Ų144.782%0.8280%0.796SS**  163.8156.2110.9-132.6-99.8000115.4
553T39.6Very low33.1Very low98 Ų98145.6 Ų145.660%0.60180%0.796SS**  trans-62.7163.2-157.856.80000122.6
554P29.8Very low33.1Very low127 Ų127145.1 Ų145.183%0.82579%0.793SS**  trans-97.4152.3174.537.8-30.5000115.1
555I35.8Very low33.4Very low160 Ų160146.9 Ų146.982%0.82179%0.793SS**  trans-129141.5175.5-59.3174.9000110.4
556P33Very low33.5Very low87 Ų87145.7 Ų145.757%0.56579%0.788SS**  trans-103.5150.2-176.410.412.6000115.9
557W28.2Very low33.9Very low243 Ų243147 Ų14792%0.9279%0.791SS**  trans65.4127.4150.6-33.7-28.9000120.1
558Q34.9Very low34.1Very low201 Ų201144.2 Ų144.294%0.93979%0.79SS**  trans-155.6129.3130.2-109.6174.43.700112.1
559T27.5Very low33.8Very low125 Ų125140.4 Ų140.477%0.76778%0.783SS**  trans-77.2140.3174.342.90000111.9
560T35.6Very low34Very low143 Ų143146.9 Ų146.988%0.87780%0.795SS**  trans-147.6114.9146.248.40000110.8
561S27Very low33.4Very low112 Ų112149.7 Ų149.778%0.78379%0.793SS**  trans-74.3140.3169.6-33.50000110.7
562I35.8Very low33.6Very low169 Ų169152.3 Ų152.387%0.86780%0.796SS**  trans-139.6126.6150.7-60.8-175.4000109.7
563E33.5Very low33.4Very low171 Ų171148.6 Ų148.680%0.79979%0.79SS**  trans-54.8136.9179.4-72.7168.8148.500115
564S32.8Very low33.3Very low105 Ų105152.2 Ų152.273%0.73480%0.804SS**  84.2120.395.387.10000115.5
565N35.5Very low33.4Very low151 Ų151150.8 Ų150.881%0.80780%0.797SS**  178.5121.6120.1-136.4-29.8000111.8
566P35.6Very low33.3Very low109 Ų109151.5 Ų151.571%0.70880%0.799SS**  trans-120.8129.3161.434.4-20.3000111.5
567N35.5Very low33.4Very low151 Ų151155.1 Ų155.181%0.80781%0.808SS**  trans-170.2124155.5-109.2-41.5000110.3
568V36.6Very low33.6Very low142 Ų142148.8 Ų148.886%0.86180%0.797SS**  172.4110.8121.6169.10000108.2
569S31.2Very low33.8Very low101 Ų101146.9 Ų146.971%0.70679%0.792SS**  trans-97.6149.5166.1-45.60000110.2
570R35.3Very low34.3Very low238 Ų238146.2 Ų146.290%0.89879%0.793SS**  trans-178.9109.5147.3-103.8171.6-167.8172.74.6108.9
571F30.2Very low34.5Very low173 Ų173144.8 Ų144.876%0.75979%0.786SS**  63.7116.789.5-88.6-79.8000115.2
572H37.7Very low34.9Very low183 Ų183144.7 Ų144.785%0.84779%0.785SS**  -178.4134.3112.3-101.6-74.9000113
573D30.8Very low35.1Very low131 Ų131142 Ų14270%0.70178%0.779SS**  trans-59.6160.8166.9-66.4-63.6000114
574I36.4Very low35Very low175 Ų175139 Ų13990%0.89778%0.777SS**  trans-173.2143.2131.4-86.7146.2000110.4
575S31.7Very low34.9Very low96 Ų96140.6 Ų140.667%0.67179%0.786SS**  trans-92.7179.1-161.1-44.30000117.7
576M34.1Very low34.8Very low175 Ų175142.2 Ų142.286%0.86279%0.789SS**  trans78.4139.2154.5-60.7-81.9164.700115.4
577E35.4Very low34.8Very low163 Ų163142.8 Ų142.876%0.76279%0.792SS**  cis-170.1142.540.3-134.3166.2178.200111.3
578T33.3Very low34.9Very low111 Ų111141.8 Ų141.868%0.68179%0.792SS**  trans35129.1143.353.10000124
579L37.8Very low34.8Very low160 Ų160140.5 Ų140.584%0.83879%0.787SS**  171.6106.8113.2-88.5158.9000113.6
580S38.3Very low35.3Very low112 Ų112144.3 Ų144.378%0.78380%0.795SS**  trans42.6154.3134.9-42.70000125.9
581P40.5Very low35.4Very low113 Ų113141.3 Ų141.373%0.73480%0.797SS**  trans-124.1177.9-156.537.2-17.6000118
582S34.6Very low35.6Very low110 Ų110136.1 Ų136.177%0.76979%0.792SS**  trans84.6165.7158.120000119.8
583P40.8Very low35.6Very low112 Ų112135.6 Ų135.673%0.72779%0.794SS**  cis-141.7175.8-14.634.1-12.6000117.3
584S31.1Very low35.9Very low109 Ų109134.8 Ų134.876%0.76280%0.796SS**  trans79.6125144.973.40000121.9
585C30.6Very low35.6Very low138 Ų138136.7 Ų136.793%0.93279%0.794SS**  trans-142.6124154.1-84.90000109.2
586Q32.4Very low35.7Very low185 Ų185140.3 Ų140.386%0.86480%0.804SS**PPolyproline II helixtrans-97.3150.4166.2-73.4-105.9-61.500108.9
587P36.7Very low35.5Very low120 Ų120138.8 Ų138.878%0.77980%0.8SS**PPolyproline II helixtrans-99140165.133.9-24.2000112.2
588T37.5Very low35.4Very low131 Ų131138.9 Ų138.980%0.80480%0.804SS**PPolyproline II helixtrans-75.5154179.223.30000113.9
589P33.4Very low35.3Very low115 Ų115139.4 Ų139.475%0.74781%0.807SS**PPolyproline II helixtrans-97.4149.2170.936.5-28.5000112
590M43.6Very low34.9Very low180 Ų180137.2 Ų137.289%0.88781%0.805SS**  trans-122.3114.7171.1-78.3-79.611100110.8
591L36.7Very low34.8Very low176 Ų176137.3 Ų137.392%0.92181%0.806SS**  trans-61.9154.8154-59.6157.8000108.6
592G33.7Very low34.5Very low64 Ų64140.9 Ų140.966%0.6681%0.813SS**  cis165.4159.22.200000109.3
593L37.2Very low34.6Very low172 Ų172141.3 Ų141.390%0.90181%0.813SS**  trans91.6156.4156.8-53.5171000120.8
594P38.3Very low34.4Very low113 Ų113142.3 Ų142.373%0.73482%0.817SS**  cis-134.7172.5-44.436.3-19.2000114.2
595Y29Very low34.8Very low216 Ų216144.6 Ų144.685%0.84782%0.82SS**  trans-50.2145.6178.7-83-109.6000116.7
596L35.6Very low35Very low171 Ų171142.7 Ų142.790%0.89581%0.806SS**  trans-125.3119.3147.6-84173.3000110.4
597N28Very low35.2Very low143 Ų143142.1 Ų142.177%0.76580%0.803SS**  trans-64.9132168.6-92.4-23.9000110.6
598I34.6Very low35.2Very low166 Ų166146.9 Ų146.985%0.85181%0.806SS**  trans-125.8113154.2-59.7179.3000107.8
599T30.7Very low35.6Very low121 Ų121148 Ų14874%0.74280%0.799SS**  trans-76.2146174.830.40000111.7
600S30.3Very low36.1Very low114 Ų114149.8 Ų149.880%0.79780%0.801SS**  trans64.2101.9142.3-177.90000119.2
601S34.6Very low35.8Very low115 Ų115150.7 Ų150.780%0.80480%0.796SS**  -161.4117.1124.239.20000110.1
602Q34.2Very low36Very low188 Ų188148 Ų14888%0.87979%0.787SS**PPolyproline II helixtrans-73138.5169.6-77.1-152.5-33.600110.5
603P37.2Very low36.4Very low119 Ų119152.5 Ų152.577%0.77380%0.795SS**PPolyproline II helixtrans-99.5124.9153.923.2-7.4000110.1
604T36.2Very low36.6Very low133 Ų133149.5 Ų149.582%0.81678%0.784SS**PPolyproline II helixtrans-55.2133.6172.646.10000113.1
605L39.8Very low36.9Very low157 Ų157149.6 Ų149.682%0.82278%0.784SS**PPolyproline II helixtrans-72140.3171.4-78.9158.7000111.4
606P36.4Very low37.6Very low98 Ų98146.8 Ų146.864%0.63678%0.778SS**PPolyproline II helixtrans-80.9131.716931.1-28.7000110.8W608P606-W608 PolarHBondContact O-NE1 3.02Å; P606-W608 VanDerWaalsContact O-NE1 3.11Å
607E36Very low37.9Very low172 Ų172144.8 Ų144.880%0.80477%0.774SS**PPolyproline II helixtrans-54.6130.8170.9-79.3-179132.700111.9
608W37.3Very low38.6Very low220 Ų220144.9 Ų144.983%0.83377%0.769SS**  trans-98.6102.5166.1-27.7-41000108P606 I610P606-W608 PolarHBondContact O-NE1 3.02Å; P606-W608 VanDerWaalsContact O-NE1 3.11Å; W608-I610 PolarHBondContact O-N 3.28Å
609K45Very low39.2Very low155 Ų155142.1 Ų142.167%0.67476%0.762SS**  trans-71.1117.8166.6-80177.3178.4172.70108.9Y611K609-Y611 PolarHBondContact O-N 3.07Å
610I43.7Very low39.8Very low152 Ų152143 Ų14378%0.77977%0.767SS**  trans-70.2111.1170.8-60170.7000107.6W608 T612W608-I610 PolarHBondContact O-N 3.28Å; I610-T612 PolarHBondContact O-N 3.16Å
611Y38.4Very low40.6Very low199 Ų199143.2 Ų143.278%0.7876%0.764SS**  trans-84.5107164.5-77-85.4000108.7K609 I613K609-Y611 PolarHBondContact O-N 3.07Å; Y611-I613 PolarHBondContact O-N 3.27Å
612T39.6Very low40.8Very low121 Ų121144.1 Ų144.174%0.74276%0.764SS**  trans-72.7106.1164.428.40000108.9I610 T614I610-T612 PolarHBondContact O-N 3.16Å; T612-T614 PolarHBondContact O-N 3.32Å
613I41.5Very low41.4Very low158 Ų158140.6 Ų140.681%0.8176%0.761SS**  trans-80.6100.6167.2-58.4175.1000107Y611Y611-I613 PolarHBondContact O-N 3.27Å
614T42.5Very low41.8Very low109 Ų109142.5 Ų142.567%0.66976%0.764SS**  trans-73.8131.7165.837.80000109.2T612 Q616T612-T614 PolarHBondContact O-N 3.32Å; T614-Q616 PolarHBondContact O-N 3.49Å; T614-Q616 VanDerWaalsContact O-N 3.16Å
615P45.1Very low42.2Very low115 Ų115141.7 Ų141.775%0.74776%0.764SS**  trans-70.4112.2171.427.8-29.9000108.3T617P615-T617 PolarHBondContact O-N 3.28Å
616Q42.1Very low42.6Very low156 Ų156143.4 Ų143.473%0.72979%0.789SS**  trans-67.5104.9167.7-74.3-161.76.700108.8T614 H618T614-Q616 PolarHBondContact O-N 3.49Å; T614-Q616 VanDerWaalsContact O-N 3.16Å; Q616-H618 PolarHBondContact O-N 3.4Å
617T42.6Very low42.9Very low130 Ų130145.7 Ų145.780%0.79880%0.797SS**  trans-73.4101.8161.149.80000108P615P615-T617 PolarHBondContact O-N 3.28Å
618H43.8Very low43.3Very low145 Ų145144.3 Ų144.367%0.67180%0.797SS**  trans-74.1128.2163.5-79.7-76.7000109.3Q616 V620Q616-H618 PolarHBondContact O-N 3.4Å; H618-V620 PolarHBondContact O-N 3.38Å
619P46.3Very low43.6Very low108 Ų108140.1 Ų140.170%0.70180%0.795SS**  trans-76.2116.7169.729.9-28.5000108.6T621P619-T621 PolarHBondContact O-N 3.11Å
620V43.8Very low43.6Very low138 Ų138139.2 Ų139.284%0.83680%0.802SS**  trans-80.594.9166.1178.50000107.1H618H618-V620 PolarHBondContact O-N 3.38Å
621T46.5Very low43.6Very low119 Ų119138.4 Ų138.473%0.7380%0.803SS**  trans-8111816245.80000108.5P619P619-T621 PolarHBondContact O-N 3.11Å
622T38.5Very low43.9Very low134 Ų134134.4 Ų134.482%0.82281%0.805SS**  trans-58.5125.5166.746.50000110.7
623S47.3Very low44.2Very low114 Ų114135.4 Ų135.480%0.79781%0.809SS**  trans-151.9139.9153.4580000109.8
624D46.3Very low44.4Very low160 Ų160133.6 Ų133.686%0.85681%0.809SS**  trans-63.9162-161.1-63.4-61.6000116.5
625S43.7Very low44.6Very low115 Ų115135.7 Ų135.780%0.80482%0.821SS**  trans-36.3133.5163.752.10000116.8
626S49.1Very low44.5Very low194 Ų194137.5 Ų137.5100%1.35783%0.827SS**  trans-155.20130.165.60000109.6

Retrieved 626 of 626 residues in 102 ms (Link to these results)