A0A087XQ71_POEFO Loading...

Transcription factor Sp8

Transcription factor which plays a key role in limb development. Positively regulates FGF8 expression in the apical ectodermal ridge (AER) and contributes to limb outgrowth in embryos.

AlphaFold DB , UniProt , Accession A0A087XQ71, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 451 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M41.1Very low39.6Very low240 Ų240142.1 Ų142.1100%1.18279%0.786SS**  083.80-48.5172.2-166.600105.1
2A37.5Very low39.3Very low96 Ų96145 Ų14579%0.79380%0.798SS**  52.4113.463.300000110
3T41.3Very low38.8Very low126 Ų126138.8 Ų138.877%0.77379%0.788SS**  cis-147.413410.742.40000109.4
4S39.5Very low39Very low96 Ų96137.5 Ų137.567%0.67179%0.791SS**  58.2111.987.1-59.20000114
5L42.8Very low39.5Very low151 Ų151137.6 Ų137.679%0.79180%0.796SS**  70.8139.278.7-70.6170.6000111.7
6L38.5Very low40.1Very low155 Ų155136.6 Ų136.681%0.81280%0.795SS**  cis-147.8173.14-90.8139.8000106.6
7G36.5Very low40.1Very low61 Ų61139.4 Ų139.463%0.62981%0.805SS**  cis97120.928.300000110.8
8E34.8Very low39.9Very low182 Ų182136.2 Ų136.285%0.8580%0.798SS**  trans177.2123.4155.4-96.7-83.282.900111
9E36.8Very low39.7Very low140 Ų140138.2 Ų138.265%0.65480%0.801SS**  trans-107.6149.2153.2-114.3-117.412700104.9R11E9-R11 IonicContact OE2-NE 3.91Å
10P49.1Very low39.8Very low109 Ų109139.7 Ų139.771%0.70881%0.805SS**  -143.1156123.132.6-17.5000115.4
11R37.7Very low39.6Very low207 Ų207137.3 Ų137.378%0.78180%0.802SS**  trans-84.2153.8175.6-59-175.2162.9-144.7-11.6111.6E9E9-R11 IonicContact OE2-NE 3.91Å
12L36.4Very low39.4Very low177 Ų177130.2 Ų130.293%0.92778%0.782SS**  173.1134.9126.7-94.9162.3000112.8
13G32.9Very low39.5Very low65 Ų65132.3 Ų132.367%0.6779%0.785SS**  88.1144.6129.400000121.6
14S41.2Very low39.2Very low120 Ų120132.1 Ų132.184%0.83979%0.787SS**  trans69.4110158.263.20000120.6
15T46.2Very low39.2Very low139 Ų139135.7 Ų135.785%0.85380%0.799SS**  trans-71.6149.4146.446.30000110.5
16P49.3Very low38.9Very low121 Ų121137.3 Ų137.379%0.78680%0.799SS**  -138.4156.3122.135.6-24000114.3
17L40.2Very low38.8Very low184 Ų184138.5 Ų138.596%0.96381%0.805SS**  trans-74122.6172.3-89.9154.4000111.6
18A36.6Very low38.6Very low83 Ų83138.9 Ų138.969%0.68681%0.809SS**  trans-162.9128.7150.900000112.1
19M36.6Very low38.5Very low173 Ų173135.7 Ų135.785%0.85281%0.807SS**  trans35.4130.6142.7-49.6-166.5-70.500119
20L40.5Very low38.9Very low168 Ų168134.8 Ų134.888%0.8881%0.813SS**  -166178.668.1-155.261.1000112.6
21A36.4Very low38.2Very low90 Ų90134.7 Ų134.774%0.74482%0.815SS**  trans-75.1171.9-167.500000116.6
22A37.2Very low38.3Very low91 Ų91131 Ų13175%0.75282%0.818SS**  trans-58.6142.9179.300000114.9
23T38.7Very low38.2Very low141 Ų141128 Ų12887%0.86581%0.812SS**  trans-119.875.1163.5440000110.5N25T23-N25 PolarHBondContact O-N 3.38Å
24C36.4Very low39.1Very low122 Ų122130.7 Ų130.782%0.82482%0.817SS**  trans-66.1118.1160.8-66.40000108.4
25N37.7Very low38.6Very low171 Ų171130.9 Ų130.991%0.91482%0.819SS**  trans-73.9145-175.2-147.8-13.9000111.5T23T23-N25 PolarHBondContact O-N 3.38Å
26K37.5Very low37.8Very low184 Ų184128.7 Ų128.780%0.882%0.815SS**  trans-126.8107-155173.2-167174.8-1760111.7
27I35.7Very low36.9Very low180 Ų180130.5 Ų130.592%0.92382%0.816SS**  trans-150.9128.6157.9-43.8175.5000106.8
28G31.9Very low36.5Very low70 Ų70126.1 Ų126.172%0.72280%0.801SS**  cis-173.5124.8-1000000108
29S34Very low36.2Very low115 Ų115129.3 Ų129.380%0.80481%0.806SS**  trans-92.2160.517462.60000109.6
30P44Very low35.9Very low120 Ų120128.6 Ų128.678%0.77981%0.806SS**  -142.414873.135.5-17.4000116
31S34.3Very low35.5Very low108 Ų108125.2 Ų125.276%0.75580%0.797SS**  trans-81.1165.1154.5-46.60000110
32P41Very low35.3Very low129 Ų129126.1 Ų126.184%0.83880%0.798SS**  -131.6171.4117.235.8-27.2000114.4
33S33.1Very low35.2Very low114 Ų114126.3 Ų126.380%0.79779%0.793SS**  trans-89.5174-160.1-45.10000114
34P53.4Low34.9Very low121 Ų121129.8 Ų129.879%0.78680%0.797SS**  trans-92.3161.4-159.938-36.6000114.7
35S29.4Very low34.7Very low124 Ų124127 Ų12787%0.86779%0.789SS**  trans-157125.4154.6-80.50000112.2
36A30.7Very low34.6Very low94 Ų94129.3 Ų129.378%0.77779%0.791SS**  trans11.6168.315700000125.8
37I30.2Very low34.3Very low158 Ų158124 Ų12481%0.8179%0.787SS**  trans85.7128.4155.5-12.7179.5000121.2
38S31.4Very low34Very low92 Ų92124.2 Ų124.264%0.64378%0.782SS**  trans72.3109.1148.1450000122.4
39D29.3Very low34.4Very low150 Ų150127.7 Ų127.780%0.80278%0.779SS**  39.9111.8119.6-47.1-47000120.1
40N31.2Very low35.1Very low158 Ų158127.3 Ų127.385%0.84577%0.774SS**  -168.3165.797.3-127-32.2000114.9
41S31.9Very low34.2Very low97 Ų97134 Ų13468%0.67878%0.784SS**  trans-52.3151.8172.859.50000114.6
42S33.4Very low34Very low110 Ų110138.6 Ų138.677%0.76979%0.79SS**  -175.2146.859.653.40000115.7
43S33.5Very low33.5Very low94 Ų94144.5 Ų144.566%0.65780%0.796SS**  trans13.8116.8148.81720000121.5
44F33.6Very low33.3Very low215 Ų215143.8 Ų143.894%0.94380%0.797SS**  -165.7147.6116.8-70.5-65.9000107.4
45G32.4Very low32.1Very low63 Ų63143.3 Ų143.365%0.64980%0.803SS**  cis174.8104.7-9.300000112.5
46K34.7Very low32.1Very low220 Ų220142 Ų14296%0.95780%0.8SS**  trans70125153.7-54.6171.9-174.4176.20119.5
47G31.6Very low32.1Very low71 Ų71143.7 Ų143.773%0.73281%0.806SS**  trans-179.450.1175.200000114.3
48F29.7Very low32.1Very low185 Ų185141.7 Ų141.781%0.81181%0.806SS**  trans-66.4124.7176.7-100.8-132.9000110.4
49H39.1Very low31.9Very low144 Ų144143.4 Ų143.467%0.66782%0.816SS**  79.3165.678.3-68.6-1.6000113.8
50P49Very low32.2Very low107 Ų107141.6 Ų141.670%0.69582%0.815SS**  cis-135.4-178.6-35.835.1-18.5000112.5
51W24.4Very low32.2Very low261 Ų261142.6 Ų142.699%0.98982%0.82SS**SBendtrans-144.897143.5-122.342.7000111.6
52K30.3Very low32.1Very low204 Ų204141.4 Ų141.489%0.88782%0.823SS**  trans178.2102153.1-102.4167.3-171-179.60109
53R30.6Very low32Very low253 Ų253142.2 Ų142.296%0.95583%0.828SS**  trans-93.7123156.4-76.7-174.6-174.4156.23.1107.8
54A28.5Very low32.2Very low98 Ų98141.4 Ų141.481%0.8184%0.835SS**  trans-83.4135.8153.400000107.5
55A29.8Very low32Very low111 Ų111139.3 Ų139.392%0.91783%0.833SS**  trans-94.5107.6167.200000108.3
56A29.4Very low32Very low97 Ų97141 Ų14180%0.80283%0.834SS**  trans-129.8116.2161.300000106.5
57S30.8Very low31.8Very low129 Ų129136 Ų13690%0.90283%0.827SS**  trans-73.4128.1-175290000111.4
58S28.8Very low31.8Very low117 Ų117141.2 Ų141.282%0.81883%0.83SS**  trans-86.9121.3166.250.90000110.1
59C28.3Very low31.9Very low127 Ų127136 Ų13686%0.85883%0.829SS**  trans-105.8128.715650.10000108.7
60S35.4Very low31.4Very low112 Ų112136 Ų13678%0.78384%0.838SS**  trans-81.5130.2-179.7-51.40000110.6
61L31.6Very low30.4Very low180 Ų180136.7 Ų136.794%0.94285%0.846SS**  trans-144.7118.8147-77.3-176.2000108.4
62G29.1Very low30.9Very low72 Ų72135.1 Ų135.174%0.74284%0.84SS**  trans-90.6142.5165.800000110.2
63S31.9Very low31Very low126 Ų126133.6 Ų133.688%0.88184%0.841SS**  trans-166.6125.2152-80.70000106.8
64G36.9Very low31Very low77 Ų77125 Ų12579%0.79483%0.831SS**  trans-77.5155.2-172.900000112.8
65L29.8Very low31.2Very low172 Ų172126.7 Ų126.790%0.90184%0.837SS**  trans-134.2128.8159.4-74.5177.7000109.4
66S31.6Very low31.2Very low97 Ų97124.7 Ų124.768%0.67883%0.827SS**  trans-75.3154.1173.2300000111.7
67S31Very low31.2Very low115 Ų115128.2 Ų128.280%0.80483%0.831SS**  trans-50.8127.9177.9174.70000115.3
68F31.1Very low31.1Very low181 Ų181126.2 Ų126.279%0.79482%0.822SS**  trans-143.5137.9139.40.2-89.7000110.1
69G31.7Very low31.2Very low76 Ų76125.3 Ų125.378%0.78482%0.815SS**  trans-84.2155.3-172.800000114.5
70V29.5Very low31.2Very low144 Ų144126.7 Ų126.787%0.87382%0.815SS**  trans-92.2121.4172.1176.90000109.7
71S28.4Very low31.1Very low121 Ų121125.9 Ų125.985%0.84681%0.809SS**  trans-114.2148.6161.5-870000111
72R34Very low31.2Very low229 Ų229127.2 Ų127.286%0.86481%0.807SS**  trans-88.5161.6-177.7-78.4175.5163.3-176.7-5.2112.5
73N32.9Very low31.1Very low171 Ų171127.5 Ų127.591%0.91481%0.811SS**  trans111.7147.8172.4-62.6-10.4000110.9
74G30.6Very low31.2Very low72 Ų72128.2 Ų128.274%0.74280%0.804SS**  cis-176.5165.5000000109
75S33.2Very low31.1Very low135 Ų135131.6 Ų131.694%0.94481%0.805SS**  trans-63.1148.5-171-43.70000115.4
76G29.2Very low31Very low68 Ų68126.7 Ų126.770%0.70180%0.795SS**  trans162.595.3159.200000118.7
77I29.7Very low31.2Very low172 Ų172127.3 Ų127.388%0.88280%0.8SS**  trans38.1157.9136.265.2171.7000124.7
78A28.9Very low31.3Very low86 Ų86127.9 Ų127.971%0.71180%0.803SS**  trans71.8105.9169.700000116.2
79S30.7Very low31.2Very low98 Ų98123 Ų12369%0.68580%0.804SS**  71.2107.768.1730000114.4
80D28.5Very low31.4Very low157 Ų157125.2 Ų125.284%0.8481%0.808SS**  -171.5172.6109.7-89.1-27.3000112.7
81S33.4Very low31.6Very low95 Ų95123.5 Ų123.566%0.66480%0.802SS**  trans-104.4-163.6-155.1-61.90000115
82F32.5Very low31.8Very low207 Ų207121.5 Ų121.591%0.90879%0.793SS**  trans79.2119.4178.8-41.8-68.7000113
83G28.5Very low31.6Very low79 Ų79119.7 Ų119.781%0.81479%0.792SS**  cis112.6147.326.500000108.7
84N33.8Very low31.4Very low140 Ų140117 Ų11775%0.74979%0.786SS**  cis-166.5153.3-6-169.313.3000108.5
85N34.7Very low31.8Very low149 Ų149121.7 Ų121.780%0.79779%0.794SS**  trans58.4154.8158-80.3-28000123.8
86G28.3Very low31.7Very low68 Ų68122.3 Ų122.370%0.70179%0.792SS**  trans115.579.3155.500000115.5
87S34.7Very low32.1Very low111 Ų111125 Ų12578%0.77680%0.8SS**  92.612168.9-70.30000115.2
88S32.8Very low32Very low126 Ų126120.6 Ų120.688%0.88180%0.797SS**  trans61.7127.5141.7-530000121.7
89G29.2Very low32.3Very low79 Ų79123.2 Ų123.281%0.81480%0.804SS**  trans-179.196.2164.400000113.7
90S36.5Very low32.4Very low123 Ų123123.9 Ų123.986%0.8681%0.809SS**  trans-116.7120.6177.7-57.50000111.7
91S33.5Very low32.6Very low107 Ų107122.4 Ų122.475%0.74881%0.811SS**  trans177.5128.7158.344.90000108.2
92A31.7Very low32.3Very low80 Ų80121 Ų12166%0.66181%0.811SS**  96.7162.553.100000112.6
93F30Very low32.2Very low191 Ų191117.1 Ų117.184%0.83881%0.81SS**  trans75.7152.3-176.5-42.1-66.2000116.9
94S30.1Very low32.3Very low114 Ų114121 Ų12180%0.79781%0.807SS**  cis-167163.8-42.2-103.50000109
95L38Very low32Very low171 Ų171123.8 Ų123.890%0.89581%0.812SS**  trans-75.5148.6-176.7-62.7164.4000113.9
96T30.6Very low31.7Very low147 Ų147120 Ų12090%0.90281%0.808SS**  trans-150.6139.6148.4-160000111.8
97S38.5Very low31.9Very low125 Ų125124.4 Ų124.487%0.87482%0.816SS**  trans-100.2153.5176.3-54.50000111.3
98G27.9Very low31.6Very low80 Ų80126.2 Ų126.283%0.82582%0.817SS**  trans-159.1122171.500000112.7
99T35.3Very low31.4Very low140 Ų140129.8 Ų129.886%0.85981%0.812SS**  trans-119.9138.6177.746.30000110.8
100S31.3Very low31.5Very low113 Ų113131.1 Ų131.179%0.7981%0.809SS**  trans-165.9135.2156.141.80000113.5
101S32.4Very low31Very low126 Ų126130.1 Ų130.188%0.88180%0.798SS**  trans52.5144.2144.2-47.70000121.5
102G28.6Very low30.7Very low64 Ų64133.8 Ų133.866%0.6680%0.801SS**  cis128.4135.8-0.500000113.2
103S30.3Very low30.5Very low126 Ų126138.2 Ų138.288%0.88181%0.808SS**  trans78.3162.3172.380.30000119.1
104H30Very low30.4Very low162 Ų162133.1 Ų133.175%0.7580%0.8SS**  cis-172.6179.3-46.2-149.6-104.3000109.3
105F27Very low30.3Very low198 Ų198133.2 Ų133.287%0.86880%0.801SS**  trans74.3150.1173.5-63.2-87.7000118
106G28.4Very low29.8Very low69 Ų69130.3 Ų130.371%0.71180%0.795SS**  cis179.1156.4-2.900000112.1
107N33.1Very low29.7Very low160 Ų160130.6 Ų130.686%0.85679%0.791SS**  trans-70.5167.1-171.7-66.9-19.3000115.8
108D28.4Very low29.2Very low149 Ų149129.3 Ų129.380%0.79778%0.782SS**  trans-156.4177.1135.8-98.6-31.6000113.6
109Y29.7Very low29.3Very low202 Ų202133.9 Ų133.979%0.79278%0.782SS**  trans-145.9170-15165.5-97.7000112.1
110S30.3Very low28.7Very low107 Ų107134.4 Ų134.475%0.74878%0.775SS**  cis-164.3-148.8-3.6-153.10000109.5
111V26.5Very low28.4Very low102 Ų102133 Ų13362%0.61877%0.765SS**  trans115.3118.8134.7-176.50000120.1
112F25.9Very low28Very low184 Ų184132 Ų13281%0.80776%0.758SS**  trans55.8156.8155.9-62.7-36.1000122.9
113Q28.9Very low28.2Very low173 Ų173137.2 Ų137.281%0.80877%0.765SS**  cis-162.9168.8-32.4-170.6156.50.100110.3
114A26.3Very low28.4Very low83 Ų83139 Ų13969%0.68676%0.759SS**  trans-80.2-179.6-160.600000120.5
115S29.6Very low28.7Very low117 Ų117137.2 Ų137.282%0.81876%0.762SS**  trans92141.2160.2-56.30000117.5
116S27.6Very low28.8Very low109 Ų109133.9 Ų133.976%0.76276%0.758SS**  cis-168.8149.1-2.448.30000114.3
117N28.6Very low29.2Very low154 Ų154140.2 Ų140.282%0.82477%0.766SS**  trans60121.2147.7-115.24.2000124
118S26.3Very low29.1Very low97 Ų97140 Ų14068%0.67876%0.763SS**  167.213398.6-79.60000115.4
119Q30.6Very low29.4Very low176 Ų176138.4 Ų138.482%0.82276%0.763SS**  trans33.1135.9154.2-58.7-173.3-71.700121.3
120E23.4Very low29.6Very low151 Ų151137.1 Ų137.171%0.70676%0.762SS**  -163.5166.659.6179.85792.600112.4
121S25.5Very low29.9Very low83 Ų83137.9 Ų137.958%0.5876%0.762SS**  trans-99.5148.7-168-200000113.5
122S24Very low30Very low106 Ų106140.9 Ų140.974%0.74177%0.769SS**  161.5114.5123.3-75.20000116.3
123H31.8Very low30.4Very low174 Ų174138.3 Ų138.381%0.80677%0.768SS**  trans44.5110.3139.1-59.5-79.3000123.9
124Q33.8Very low30.4Very low164 Ų164136 Ų13677%0.76677%0.771SS**  19.3145.3121.8-64.6-70.6-15.200121.5
125P36.2Very low30.9Very low123 Ų123138.8 Ų138.880%0.79978%0.78SS**  trans-116.4144.8145.836.1-26.5000114.2
126V30.4Very low31Very low129 Ų129140.5 Ų140.578%0.78278%0.779SS**  trans-104153.3-174.2168.50000111.9
127F36.9Very low31.2Very low201 Ų201139.4 Ų139.488%0.88277%0.772SS**  trans-61133.5169.9-84.8-95.1000113.2
128I31.3Very low31.6Very low156 Ų156138.8 Ų138.880%0.877%0.768SS**  trans-139.8122.8154.7-62.5-175.3000110.6
129S34.3Very low32.2Very low115 Ų115142.7 Ų142.780%0.80478%0.775SS**  trans-82.4140.7160.4-700000110.4
130K34.3Very low32.2Very low176 Ų176138 Ų13877%0.76577%0.773SS**  trans-145.2123.3155.6-150.9177.3-179.372.60111.5
131V35.1Very low32.8Very low123 Ų123138.7 Ų138.775%0.74578%0.781SS**  trans-89.9139.4174.2-159.60000108
132H30Very low33Very low164 Ų164145 Ų14576%0.75979%0.793SS**  trans-133.3123.4161.3-96.6-103.7000109.6
133T34.3Very low33.9Very low131 Ų131145.3 Ų145.380%0.80479%0.793SS**  trans-100.6129.5171.849.50000109.3
134S28.1Very low33.9Very low123 Ų123148.1 Ų148.186%0.8680%0.796SS**  trans-148.1143.5152.456.50000110.1
135V37.7Very low33.6Very low143 Ų143147.1 Ų147.187%0.86779%0.793SS**  trans-116.4136.6173.5-84.80000107.2
136D31.1Very low33.4Very low152 Ų152146.5 Ų146.581%0.81379%0.792SS**  trans-155.6147.2133.1-158.7-141.1000114.3
137S31.6Very low33.6Very low86 Ų86145 Ų14560%0.60178%0.783SS**  trans-24.1141.7170.5-51.10000121.4
138L37.3Very low33.4Very low141 Ų141139.8 Ų139.874%0.73878%0.776SS**  172.6107.1107.1-87.7167000115
139Q38.1Very low33.5Very low180 Ų180140.2 Ų140.284%0.84178%0.775SS**  trans48.9128137.9-68155.78.200125.4
140G30.4Very low33.8Very low76 Ų76140.7 Ų140.778%0.78478%0.775SS**  trans96.1145146.400000117.4
141I36.1Very low34.1Very low167 Ų167139 Ų13986%0.85677%0.765SS**  cis-147.8151.96.3-69.1166.4000109.7
142Y29.5Very low33.9Very low216 Ų216142.1 Ų142.185%0.84777%0.772SS**  trans-43.3176.8175.7-75.5-86.3000120.1
143P43.2Very low34.2Very low112 Ų112138.8 Ų138.873%0.72777%0.766SS**  cis-134.2164.2-15.629.1-8.6000116
144R31.8Very low34.3Very low233 Ų233141.6 Ų141.688%0.87976%0.763SS**  trans-105.496.2163.4-164.7-88178.91101.9110.8
145M27.8Very low34.6Very low143 Ų143145.1 Ų145.170%0.70476%0.763SS**  trans-71.5138.8176.369.990.375.100111.8V147M145-V147 HydrophobicContact CE-CG2 3.82Å; M145-V147 HydrophobicContact SD-CG2 3.56Å; M145-V147 VanDerWaalsContact SD-CG2 3.56Å
146S31.3Very low34.2Very low109 Ų109147.9 Ų147.976%0.76276%0.763SS**  trans-103.6107.1176.437.80000110.1A148S146-A148 PolarHBondContact O-N 3.33Å
147V35.5Very low34.1Very low98 Ų98145.4 Ų145.459%0.59476%0.757SS**  trans-73111166.1178.60000108.5M145 H149M145-V147 HydrophobicContact CE-CG2 3.82Å; M145-V147 HydrophobicContact SD-CG2 3.56Å; M145-V147 VanDerWaalsContact SD-CG2 3.56Å; V147-H149 PolarHBondContact O-N 3.23Å
148A33.5Very low34Very low91 Ų91146.6 Ų146.675%0.75277%0.766SS**  trans-66.8125.516500000109.5S146S146-A148 PolarHBondContact O-N 3.33Å
149H33.3Very low33.8Very low165 Ų165148.3 Ų148.376%0.76477%0.77SS**  trans-82133.4174.6-86.5-82.6000110.8V147 Y151V147-H149 PolarHBondContact O-N 3.23Å; H149-Y151 PolarHBondContact O-N 3.5Å
150P40.7Very low33.6Very low125 Ų125145.7 Ų145.781%0.81277%0.768SS**SBendtrans-84.776.2-174.934.1-36000112
151Y39Very low33.5Very low140 Ų140145.6 Ų145.655%0.54977%0.767SS.*  trans-157.652169.8-154.1-108.1000115.8H149 W154H149-Y151 PolarHBondContact O-N 3.5Å; Y151-W154 HydrophobicContact CE2-CD2 4.33Å; Y151-W154 HydrophobicContact CE2-CG 4.49Å; Y151-W154 AromaticContact CZ-CD2 3.74Å; Y151-W154 AromaticContact CZ-CE3 3.97Å; Y151-W154 WeakPolarHBondContact OH-CH2 3.39Å; Y151-W154 WeakPolarHBondContact OH-CZ2 3.5Å; Y151-W154 WeakPolarHBondContact OH-CZ3 3.35Å
152E31.5Very low33.4Very low190 Ų190145.4 Ų145.489%0.88877%0.766SS**  trans-106.431.1179-79.9-81.2119.600112.5
153S37Very low33.8Very low93 Ų93141.1 Ų141.165%0.6577%0.765SS**  trans-132.211.1-166.3590000117.2
154W36.3Very low33.1Very low191 Ų191141 Ų14172%0.72377%0.774SS**SBendtrans-105.5-1.8177.5-83.623.6000115.6Y151Y151-W154 HydrophobicContact CE2-CD2 4.33Å; Y151-W154 HydrophobicContact CE2-CG 4.49Å; Y151-W154 AromaticContact CZ-CD2 3.74Å; Y151-W154 AromaticContact CZ-CE3 3.97Å; Y151-W154 WeakPolarHBondContact OH-CH2 3.39Å; Y151-W154 WeakPolarHBondContact OH-CZ2 3.5Å; Y151-W154 WeakPolarHBondContact OH-CZ3 3.35Å
155F33.8Very low33Very low197 Ų197133.2 Ų133.286%0.86477%0.765SS**  trans-136.882.4171.1-74.3-77.1000111.4
156K29.1Very low33.2Very low200 Ų200135.2 Ų135.287%0.8777%0.773SS**  trans-109.3101.7155.1-87.3-170.9172.9-1760108.7
157S29.3Very low33.2Very low100 Ų100137.3 Ų137.370%0.69978%0.78SS**  trans-95.4118.9161.7-55.40000107.6H159S157-H159 PolarHBondContact O-N 3.42Å
158S30Very low33Very low111 Ų111136.2 Ų136.278%0.77679%0.789SS**  trans-75.3113.5-179.1-570000111.1
159H32Very low33Very low178 Ų178138.1 Ų138.182%0.82479%0.792SS**  trans-127.8106.1160.3-75.6-70.7000109.5S157S157-H159 PolarHBondContact O-N 3.42Å
160P33.9Very low33Very low125 Ų125137.2 Ų137.281%0.81280%0.798SS**  trans-72.4125157.4-7.325.2000108.3
161G28.3Very low32.5Very low73 Ų73134.8 Ų134.875%0.75380%0.795SS**  trans-89.9147.416900000111.3
162I34.7Very low32.1Very low164 Ų164132.4 Ų132.484%0.84181%0.805SS**  trans-134.8143.6164-72.1-169000106.1
163P36.9Very low32.1Very low126 Ų126128.8 Ų128.882%0.81880%0.8SS**  trans-88175.8-146.634.8-37.1000115.5
164A29.2Very low31.8Very low110 Ų110129.2 Ų129.291%0.90981%0.81SS**  trans-86.6152.3-175.100000114.5
165G30.6Very low31.4Very low68 Ų68131.5 Ų131.570%0.70182%0.818SS**  trans148.3126.9168.200000110.1
166E30.6Very low31.3Very low186 Ų186133.8 Ų133.887%0.86982%0.821SS**  cis-148.2161.1-5.1-68.8-170.7154.700110.2
167V32.7Very low31.4Very low152 Ų152131.7 Ų131.792%0.92182%0.82SS**  trans32124.7154.1-177.30000120.6
168G30.4Very low31.4Very low75 Ų75133.2 Ų133.277%0.77383%0.825SS**  trans165113.6155.900000114.6
169T33.6Very low31.4Very low132 Ų132131.5 Ų131.581%0.8182%0.824SS**  trans-83.6137.4178.948.70000112.3
170T33.7Very low31.3Very low145 Ų145127.4 Ų127.489%0.8982%0.821SS**  165141.6124.836.30000113.6
171G30.8Very low31.1Very low74 Ų74126.5 Ų126.576%0.76383%0.825SS**  trans77.3100.5135.900000121.2
172A30.3Very low31.1Very low91 Ų91126.6 Ų126.675%0.75283%0.825SS**  trans40.2101136.200000119
173S31.1Very low30.7Very low113 Ų113129.4 Ų129.479%0.7983%0.825SS**  62.5101.783.7760000116
174A31.7Very low30.5Very low102 Ų102130.6 Ų130.684%0.84382%0.823SS**  trans-131135.9154.400000108.5
175W27.5Very low30.6Very low239 Ų239132.5 Ų132.591%0.90582%0.818SS**  trans-90.7164.5-177.7-75.7-29.1000112.4
176W32.3Very low30.7Very low246 Ų246134.4 Ų134.493%0.93282%0.816SS**  trans-36.1139.3175.7-42.485.9000115.5
177D29.4Very low30.7Very low155 Ų155134.5 Ų134.583%0.82982%0.816SS**  trans-131.6173.2155-140.1-66.1000111.6
178V30.7Very low31Very low133 Ų133134 Ų13481%0.80681%0.808SS**  trans-99.2152.6-141.3171.50000113.2
179G28.9Very low31.6Very low75 Ų75135 Ų13577%0.77380%0.802SS**  trans-71.5169.1-169.900000118.6
180A30.2Very low31.4Very low91 Ų91136.1 Ų136.175%0.75280%0.802SS**  trans-143131.7153.100000105.1
181A30.3Very low31.3Very low107 Ų107132.6 Ų132.688%0.88480%0.795SS**  57.6114.863.400000112.2
182G28.3Very low31.4Very low74 Ų74134.1 Ų134.176%0.76380%0.801SS**  trans140.580.4172.400000115.7
183W26.2Very low31.4Very low224 Ų224133.8 Ų133.885%0.84880%0.798SS**  trans-62.6149148.955-64.4000109.5
184I32.8Very low31.4Very low151 Ų151136.2 Ų136.277%0.77480%0.801SS**  trans177155.5136.9-90.9152.6000110.5
185D30Very low31.4Very low149 Ų149139.6 Ų139.680%0.79780%0.8SS**  trans-90.8-177.2-162-138.8-68.7000115.3
186V33.7Very low31.5Very low109 Ų109132.8 Ų132.866%0.66179%0.788SS**  trans-68.1136.6-169.1169.40000115.2
187Q31.3Very low31.4Very low188 Ų188126.3 Ų126.388%0.87978%0.78SS**  -163.9135.2124.4-109142.616.700116.3
188N37.5Very low31.5Very low140 Ų140126.4 Ų126.475%0.74978%0.78SS**  trans-77.3151.3174.3176.122.1000111.3N190N188-N190 PolarHBondContact OD1-N 3.32Å
189P42.7Very low31.5Very low98 Ų98127.6 Ų127.664%0.63678%0.777SS**  -145.513312725-3.5000117.7
190N30.9Very low31.6Very low154 Ų154129.7 Ų129.782%0.82478%0.78SS**  trans82.7138.2136.8-53.4-15.6000122.4N188N188-N190 PolarHBondContact OD1-N 3.32Å
191G30.1Very low31.7Very low72 Ų72129.4 Ų129.474%0.74279%0.785SS**  trans102.4105.3166.200000113.7
192A33.2Very low31.7Very low106 Ų106127.9 Ų127.988%0.87678%0.78SS**  60.3134.464.800000113.8
193A31.2Very low31.9Very low84 Ų84133 Ų13369%0.69479%0.789SS**  cis-168.7151.5-14.300000110.1
194L30.3Very low32.2Very low163 Ų163130.4 Ų130.485%0.85379%0.786SS**  trans57.3161.1149-69.2171.8000123
195Q31.8Very low32.3Very low174 Ų174129.8 Ų129.881%0.81379%0.789SS**  trans81.1146.9161-59.8-133.813.600118.5
196S29.5Very low32.3Very low95 Ų95127.4 Ų127.466%0.66478%0.784SS**  cis-165.9155.9-17.3-940000110
197S30.6Very low32.1Very low110 Ų110129.7 Ų129.777%0.76979%0.792SS**  trans-73.8148.8173-520000113.8
198L30.9Very low32.1Very low158 Ų158129 Ų12983%0.82779%0.789SS**  trans-171.7113.5145.8-90.4133.7000107.2
199H30.9Very low32Very low158 Ų158127.3 Ų127.373%0.73179%0.788SS**  95.2108.675.1-85115.2000115.3
200S32Very low32.4Very low119 Ų119127.9 Ų127.983%0.83279%0.792SS**  trans67.8135.8132.1-55.30000124
201G30.8Very low32.5Very low84 Ų84129 Ų12987%0.86680%0.796SS**  trans113.3118.6159.500000114.3
202G30.2Very low32.4Very low75 Ų75128.4 Ų128.477%0.77379%0.791SS**  cis117.687.7-2.800000113.5
203L33.4Very low32.2Very low183 Ų183126.6 Ų126.696%0.95878%0.782SS**  trans-139.4141.7159.8-81.3-177.9000111
204Q32.4Very low32.2Very low169 Ų169133.5 Ų133.579%0.7979%0.792SS**  trans-112.7147.1-175.3-80.1-85.17.700110.1
205T34.3Very low32.3Very low137 Ų137133.3 Ų133.384%0.8479%0.792SS**  trans-139.5111.4152.856.80000109.9
206S31.3Very low32.5Very low99 Ų99128.7 Ų128.769%0.69278%0.779SS**  trans-63.7162.1175.9-48.90000113.1
207L29.3Very low32.6Very low157 Ų157130.8 Ų130.882%0.82278%0.782SS**  -174.5132.8110.4-95.5157.9000113.9
208H30.8Very low32.7Very low174 Ų174135.3 Ų135.381%0.80678%0.784SS**  trans67119.6152.3-97.5-116.8000123.3
209S34.3Very low33.1Very low105 Ų105131.7 Ų131.773%0.73477%0.772SS**  trans-94.1170.5145.7-43.20000109.3
210P51.7Low33.2Very low110 Ų110129.5 Ų129.571%0.71478%0.775SS**  -147.9159.67334.4-12.7000117.7
211L32.7Very low33.3Very low176 Ų176131.8 Ų131.892%0.92178%0.777SS**  18.9145.1126.3-45.5168000119.4
212G29.7Very low33.4Very low61 Ų61132.5 Ų132.563%0.62977%0.768SS**  cis164.4168.7-0.500000112.5
213G27.7Very low33.6Very low67 Ų67137.2 Ų137.269%0.69177%0.77SS**  trans89.7149.7178.600000115
214Y31.1Very low33.8Very low230 Ų230133.2 Ų133.290%0.90276%0.757SS**  cis-153.3167.311.7-50-91.4000112.5
215N32.2Very low33.6Very low159 Ų159129.9 Ų129.985%0.8576%0.759SS**  trans-39.3167.3169.9-92.5-10.8000118.8
216S36.5Very low33.5Very low77 Ų77133.4 Ų133.454%0.53876%0.763SS.*  cis-172.9176.5-10.647.90000112.1
217D32.1Very low33.6Very low139 Ų139133.8 Ų133.874%0.74377%0.765SS**  trans75145.5159.2-52.3-55.6000118.8
218Y33.3Very low34Very low204 Ų204132 Ų13280%0.876%0.761SS**  cis-153.8143.46.8-157.9-117.1000113.2
219S38.7Very low34.3Very low83 Ų83128.8 Ų128.858%0.5876%0.758SS**  trans38.4127152.1-58.80000124.3
220S31.8Very low34.7Very low112 Ų112129.7 Ų129.778%0.78376%0.762SS**  -170.1128.4103.636.40000116.2
221L35.9Very low33.9Very low167 Ų167129.9 Ų129.987%0.87477%0.766SS**  trans30.8128155.4-71.290.5000123.5
222S32.9Very low35.2Very low99 Ų99126.5 Ų126.569%0.69275%0.754SS**  trans-100166.9161.448.90000112.1
223H34.1Very low35.3Very low173 Ų173131.5 Ų131.580%0.80176%0.761SS**  trans177.2100.5142.4-92.1-59.6000107.9
224S36Very low35.5Very low100 Ų100134.7 Ų134.770%0.69976%0.761SS**  89.7111.159.670.90000114.4
225A29.5Very low35.7Very low99 Ų99130.9 Ų130.982%0.81876%0.756SS**  trans-170115.5146.200000112.3
226F32.1Very low35.6Very low211 Ų211129.4 Ų129.493%0.92575%0.753SS**  trans-156.7141.1162.9-112.8-77.6000108
227S33.8Very low35.6Very low106 Ų106132.1 Ų132.174%0.74177%0.766SS**  trans150.3107.4136.4-67.30000115.7
228T37Very low35.7Very low120 Ų120128.6 Ų128.674%0.73676%0.763SS**  30.1122.2128.448.80000124.1
229S37.4Very low36Very low106 Ų106127.4 Ų127.474%0.74176%0.764SS**  57.3148.6123.579.70000121.4
230P42.1Very low36Very low125 Ų125130.4 Ų130.481%0.81277%0.769SS**  -147.7-176.355.237.9-14.9000118.3
231S34.6Very low36.2Very low114 Ų114131.3 Ų131.380%0.79776%0.764SS**  trans-100.7-166.8178.9-43.60000111.9
232P60Low36.5Very low105 Ų105130 Ų13068%0.68276%0.755SS**  cis-145.9-156.59.840.2-14.9000118
233H31.5Very low36.3Very low165 Ų165132.2 Ų132.276%0.76476%0.76SS**  trans86.4142.8176.4-61.7-95.6000118.1
234L32.5Very low36.3Very low135 Ų135127.3 Ų127.371%0.70776%0.755SS**  cis-161.3152.7-15.4-106.7172.1000111.3
235L34.7Very low36.1Very low150 Ų150131.5 Ų131.579%0.78576%0.761SS**  trans50119.8152.2-68157.9000122.4
236T30.5Very low36.3Very low128 Ų128135.2 Ų135.279%0.78576%0.759SS**  174.6161.495.9-1630000114.1
237T36.7Very low37.1Very low134 Ų134130.6 Ų130.682%0.82275%0.75SS**  trans-41.3157.2179.950.40000118
238G34.8Very low36.9Very low65 Ų65132.6 Ų132.667%0.6776%0.758SS**  cis162.9160.9-0.900000112.1
239Q39.5Very low36.8Very low179 Ų179134.3 Ų134.384%0.83676%0.761SS**  trans57.3152.3170.1-105.440.333.600119.2
240H38.9Very low37Very low146 Ų146135.4 Ų135.468%0.67677%0.766SS**  cis-165.7133.8-32.7175-92.4000108.2
241L36.4Very low36.3Very low130 Ų130135.1 Ų135.168%0.68177%0.767SS**  trans-8.9163.6142.8-66.7156.7000118
242M40.7Very low36.1Very low140 Ų140140.5 Ų140.569%0.6977%0.771SS**  cis-170.4-146.7-16.557.4168.817400107.7
243D30.4Very low35.5Very low146 Ų146140.6 Ų140.678%0.78177%0.772SS**  trans74149.5171.4-59.5-56.1000117.5
244G32.5Very low35.3Very low69 Ų69139.7 Ų139.771%0.71177%0.773SS**  cis172.6155.1-0.800000110.7
245F31.6Very low35.1Very low188 Ų188139.6 Ų139.683%0.82578%0.778SS**  trans-100.8120.5-169-107.3-106.9000114.6
246K35.2Very low34.9Very low177 Ų177137.3 Ų137.377%0.7778%0.775SS**  trans59.6176.8144.3-79-174.2-177.5177.40119.5
247P47.4Very low35.7Very low114 Ų114137 Ų13774%0.7478%0.775SS**  cis-133.4165.5-39.336.3-21.2000113.8
248V30.2Very low35.8Very low148 Ų148135.7 Ų135.790%0.89777%0.771SS**  trans-144.3147.6164.1-162.90000112.5
249L35.2Very low36.3Very low156 Ų156138.2 Ų138.282%0.81778%0.776SS**  trans-77.4175.5170.6-71.4161.4000112.1
250P40.6Very low36.2Very low129 Ų129137.3 Ų137.384%0.83878%0.776SS**  -147.7169.6116.232.9-14.4000116.7
251S28.2Very low36.1Very low120 Ų120137.5 Ų137.584%0.83979%0.787SS**  trans-94.2166.2179.3-57.10000114
252Y30.5Very low36Very low226 Ų226134.2 Ų134.289%0.88679%0.785SS**  trans-65.6170.5163-81.6-85.2000112.2
253P48.3Very low35.9Very low108 Ų108132.8 Ų132.870%0.70180%0.796SS**  cis-144.8-179.72843.6-23.3000119.6
254D26.2Very low36Very low146 Ų146130 Ų13078%0.78180%0.802SS**  trans53.5128.2150.7-87.8-62.8000123.8
255T28Very low36Very low133 Ų133130.7 Ų130.782%0.81681%0.808SS**  163.4116.3113.7-62.70000110.7
256S31.9Very low36.5Very low101 Ų101128 Ų12871%0.70681%0.808SS**  trans-84.8162.4164.569.60000110.4
257P45.8Very low36.8Very low122 Ų122127.3 Ų127.379%0.79281%0.809SS**  cis-149.2-169.238.941-18.1000117.1
258S39.1Very low36.5Very low107 Ų107129 Ų12975%0.74881%0.811SS**  trans-77.2165.5176.8-44.30000114.7
259P46.8Very low36.8Very low117 Ų117127.4 Ų127.476%0.7681%0.807SS**  -135.4141.4109.222.3-3.3000112.3
260L36.3Very low36.8Very low160 Ų160124 Ų12484%0.83881%0.809SS**  72.7139.269.6-77.1173.1000116.4
261T36.5Very low36.6Very low150 Ų150121.4 Ų121.492%0.9281%0.806SS**  trans80.7137.9172.5-26.10000115.5
262G35.1Very low37.5Very low62 Ų62121.9 Ų121.964%0.63981%0.806SS**  cis-161.1147.6-7.900000108.7
263A37.7Very low38.3Very low109 Ų109117.1 Ų117.190%0.90180%0.803SS**  80.3122.982.200000115.5
264G32.8Very low37.7Very low88 Ų88116.6 Ų116.691%0.90781%0.808SS**  trans97.9133.717300000115.1
265G33.6Very low38.4Very low83 Ų83114.4 Ų114.486%0.85681%0.81SS**  cis-162.3178.41.300000113.8
266T40.8Very low38.8Very low132 Ų132116.3 Ų116.381%0.8182%0.815SS**  trans-99.8153.3-168.749.30000114.9
267M41.6Very low39.1Very low162 Ų162116.1 Ų116.180%0.79882%0.819SS**  trans179.8117137-87.2-47.2-155.600108
268L41.2Very low38.4Very low149 Ų149114 Ų11478%0.7882%0.82SS**  56.8126.592.9-60.8-170.7000114.2
269S37.3Very low38.2Very low115 Ų115114.3 Ų114.380%0.80482%0.822SS**  cis-16316412.1-79.20000112.9
270G33.8Very low37.9Very low85 Ų85114.6 Ų114.688%0.87682%0.823SS**  trans113.3122.6156.400000117.7
271G36.7Very low37.9Very low75 Ų75118 Ų11877%0.77383%0.825SS**  trans-118-156.3174.800000112.8
272P46.8Very low37.8Very low129 Ų129116.4 Ų116.484%0.83882%0.82SS**  cis-125.2-157.3-0.847-30000111.2
273P48.7Very low37.9Very low126 Ų126118.9 Ų118.982%0.81883%0.827SS**  trans-100.3155.2-144.440.3-40000117.3
274A34.9Very low37.8Very low98 Ų98117.7 Ų117.781%0.8182%0.818SS**  trans-127.3121.716100000110.3
275A41.2Very low38Very low100 Ų100123.7 Ų123.783%0.82681%0.813SS**  trans-82.7126.5-17700000111.7
276L37.1Very low38.1Very low173 Ų173130.6 Ų130.691%0.90681%0.813SS**  trans-134.8113.5164-74.8178.3000111.7
277A36.7Very low37.6Very low97 Ų97132.6 Ų132.680%0.80281%0.807SS**  trans30.2105.2153.800000118.6S279A277-S279 PolarHBondContact O-N 3.39Å
278G31.8Very low37.2Very low78 Ų78130 Ų13080%0.80481%0.805SS**PPolyproline II helixtrans-64124.9162.500000111.8P280G278-P280 WeakPolarHBondContact O-CD 3.16Å
279S34.3Very low37.4Very low113 Ų113126.3 Ų126.379%0.7980%0.803SS**PPolyproline II helixtrans-61.8118.1171.5-66.30000111A277 R281A277-S279 PolarHBondContact O-N 3.39Å; S279-R281 PolarHBondContact O-N 3.16Å
280P40.5Very low37.3Very low122 Ų122131 Ų13179%0.79280%0.803SS**PPolyproline II helixtrans-70.9116.9175.128.5-31.9000109.2G278 S282G278-P280 WeakPolarHBondContact O-CD 3.16Å; P280-S282 PolarHBondContact O-N 3.47Å; P280-S282 VanDerWaalsContact O-N 3.08Å
281R36.6Very low37.3Very low232 Ų232131.7 Ų131.788%0.87580%0.8SS**PPolyproline II helixtrans-50.3117.7175.6-65.8168.478.5-162.79.9109.3S279 S283S279-R281 PolarHBondContact O-N 3.16Å; R281-S283 PolarHBondContact O-N 3.1Å
282S35.5Very low37.5Very low117 Ų117132.6 Ų132.682%0.81879%0.791SS**  trans-66.676.2-178.939.90000111.6P280 A284P280-S282 PolarHBondContact O-N 3.47Å; P280-S282 VanDerWaalsContact O-N 3.08Å; S282-A284 PolarHBondContact O-N 3.27Å
283S36.6Very low37.5Very low113 Ų113127.9 Ų127.979%0.7976%0.761SS**  trans-73.859.9168.7-64.50000110.1R281 R285R281-S283 PolarHBondContact O-N 3.1Å; S283-R285 PolarHBondContact O-N 3.02Å
284A34.9Very low37.5Very low85 Ų85126.5 Ų126.570%0.70275%0.746SS**  trans-71.365.8175.100000110.2S282 R286S282-A284 PolarHBondContact O-N 3.27Å; A284-R286 PolarHBondContact O-N 3.2Å
285R37.5Very low38.5Very low213 Ų213122.2 Ų122.280%0.80471%0.71SS**  trans-68.487.3167.9-172.1179.9-64.3-96.51.6107.2S283 Y287S283-R285 PolarHBondContact O-N 3.02Å; R285-Y287 PolarHBondContact O-N 3.36Å
286R35.4Very low39.6Very low228 Ų228120.3 Ų120.386%0.8669%0.689SS**  trans-49.9110.7173.2-68.8-152.5-162.9-164.811.1108.3A284 S288A284-R286 PolarHBondContact O-N 3.2Å; R286-S288 PolarHBondContact O-N 3.13Å
287Y31Very low40.4Very low175 Ų175113.5 Ų113.569%0.68665%0.654SS**  trans-83.669.5172.6-128.5-86.8000108.5R285 G289R285-Y287 PolarHBondContact O-N 3.36Å; Y287-G289 PolarHBondContact O-N 2.82Å; Y287-G289 VanDerWaalsContact O-N 3.14Å
288S33.6Very low41.3Very low107 Ų107109.3 Ų109.375%0.74862%0.619SS**  trans-64.8110.2174.351.80000109.9R286R286-S288 PolarHBondContact O-N 3.13Å
289G45Very low42.7Very low71 Ų71111.9 Ų111.973%0.73261%0.61SS**  trans62.2103.8163.200000116.5Y287Y287-G289 PolarHBondContact O-N 2.82Å; Y287-G289 VanDerWaalsContact O-N 3.14Å
290R35.4Very low43.8Very low214 Ų214110 Ų11081%0.80859%0.589SS**  trans-143.5128.5151.9-108.1177.5-166.8-134.3-0.4110T292R290-T292 PolarHBondContact O-N 2.87Å
291A33.3Very low44.7Very low99 Ų99104.4 Ų104.482%0.81855%0.553SS**  trans-43.9127.8-179.100000111.8C293A291-C293 PolarHBondContact O-N 2.86Å; A291-C293 VanDerWaalsContact O-N 3.13Å
292T41.8Very low46Very low94 Ų9499.4 Ų99.458%0.57754%0.539SS*.  trans-53.9115.717343.90000108.7R290 D294R290-T292 PolarHBondContact O-N 2.87Å; T292-D294 PolarHBondContact O-N 3.24Å
293C45.4Very low47.2Very low30 Ų30102 Ų10220%0.20353%0.531CS..  trans-77.310417329.50000107.9A291 C295 C298 T331A291-C293 PolarHBondContact O-N 2.86Å; A291-C293 VanDerWaalsContact O-N 3.13Å; C293-C295 PolarHBondContact O-N 2.93Å; C293-C298 HydrophobicContact CB-CB 3.76Å; C293-C298 WeakPolarHBondContact CB-SG 3.37Å; C293-C298 WeakPolarHBondContact O-CB 3.32Å; C293-C298 WeakPolarHBondContact SG-CB 3.44Å; C293-C298 CovalentContact SG-SG 2.05Å; C293-C298 PolarHBondContact SG-SG 3.39Å; C293-T331 HydrophobicContact CB-CG2 4.11Å
294D49.4Very low48.5Very low98 Ų9899.8 Ų99.852%0.52451%0.51SS..  trans-70.633.4173.5-26.1-80.8000112.5T292 K335T292-D294 PolarHBondContact O-N 3.24Å; D294-K335 IonicContact OD2-NZ 2.8Å; D294-K335 PolarHBondContact OD2-NZ 3.17Å
295C56.3Low50.1Low7 Ų797.3 Ų97.35%0.04749%0.493CS..SBendtrans-86.9139.6167.5680000108.7C293 N297 C298 Q299 L334C293-C295 PolarHBondContact O-N 2.93Å; C295-N297 PolarHBondContact O-N 3.31Å; C295-C298 PolarHBondContact O-N 3.31Å; C295-C298 VanDerWaalsContact SG-CB 3.54Å; C295-C298 PolarHBondContact SG-SG 2.79Å; C295-Q299 PolarHBondContact O-N 3.44Å; C295-L334 HydrophobicContact CB-CD2 3.81Å
296P62.6Low51.5Low60 Ų6093.3 Ų93.339%0.3949%0.494SS..Hα-helixtrans-53.5-30.9-175.8-29.435.1000113.6E300 H320P296-E300 WeakPolarHBondContact O-CB 3.33Å; P296-E300 PolarHBondContact O-N 3.08Å; P296-H320 HydrophobicContact CG-CB 4.45Å
297N53.9Low52.6Low31 Ų3186.2 Ų86.217%0.16648%0.484CS..Hα-helixtrans-74.8-33.2178.2-162.6-38.9000113.1C295 A301 L311C295-N297 PolarHBondContact O-N 3.31Å; N297-A301 WeakPolarHBondContact O-CB 3.38Å; N297-A301 PolarHBondContact O-N 3.07Å; N297-L311 WeakPolarHBondContact OD1-CB 3.36Å
298C55.4Low53.8Low8 Ų877.9 Ų77.95%0.05445%0.452CS..Hα-helixtrans-69.9-43.2169-85.20000111.2C293 C295 A301 E302C293-C298 HydrophobicContact CB-CB 3.76Å; C293-C298 WeakPolarHBondContact CB-SG 3.37Å; C293-C298 WeakPolarHBondContact O-CB 3.32Å; C293-C298 WeakPolarHBondContact SG-CB 3.44Å; C293-C298 CovalentContact SG-SG 2.05Å; C293-C298 PolarHBondContact SG-SG 3.39Å; C295-C298 PolarHBondContact O-N 3.31Å; C295-C298 VanDerWaalsContact SG-CB 3.54Å; C295-C298 PolarHBondContact SG-SG 2.79Å; C298-A301 CarbonylContact O-C 3.46Å; C298-A301 PolarHBondContact O-N 3.47Å; C298-E302 WeakPolarHBondContact O-CB 3.5Å; C298-E302 PolarHBondContact O-N 2.83Å
299Q61.3Low55.1Low133 Ų13374.6 Ų74.662%0.62143%0.431SS*.Hα-helixtrans-65.6-39.1179.2-168.4165.79.800111.8C295 E302 R303C295-Q299 PolarHBondContact O-N 3.44Å; Q299-E302 PolarHBondContact O-N 2.79Å; Q299-R303 WeakPolarHBondContact O-CB 3.35Å; Q299-R303 PolarHBondContact O-N 3.27Å
300E58Low55.7Low74 Ų7474.1 Ų74.135%0.34642%0.416SS..Hα-helixtrans-67.6-40.6171.4-177.761.4-170.300111.8P296 E302 R303 L304P296-E300 WeakPolarHBondContact O-CB 3.33Å; P296-E300 PolarHBondContact O-N 3.08Å; E300-E302 PolarHBondContact O-N 2.99Å; E300-R303 PolarHBondContact O-N 3.5Å; E300-R303 IonicContact OE1-CZ 3.53Å; E300-R303 IonicContact OE1-NE 3.81Å; E300-R303 IonicContact OE1-NH2 2.96Å; E300-R303 PolarHBondContact OE1-NH2 2.76Å; E300-R303 IonicContact OE2-CZ 2.76Å; E300-R303 IonicContact OE2-NE 3.51Å; E300-R303 PolarHBondContact OE2-NE 3.26Å; E300-R303 IonicContact OE2-NH2 3.24Å; E300-R303 PolarHBondContact OE2-NH2 2.92Å; E300-L304 HydrophobicContact CG-CD1 3.91Å; E300-L304 HydrophobicContact CG-CG 4.42Å; E300-L304 VanDerWaalsContact O-CB 3.28Å; E300-L304 WeakPolarHBondContact O-CB 3.39Å; E300-L304 WeakPolarHBondContact O-CG 3.44Å; E300-L304 PolarHBondContact O-N 3.06Å; E300-L304 WeakPolarHBondContact OE1-CD1 3.26Å
301A60.1Low56.7Low4 Ų467.1 Ų67.13%0.03340%0.395CS..Hα-helixtrans-65.8-27.8174.200000113.2N297 C298 G305 L311 R312N297-A301 WeakPolarHBondContact O-CB 3.38Å; N297-A301 PolarHBondContact O-N 3.07Å; C298-A301 CarbonylContact O-C 3.46Å; C298-A301 PolarHBondContact O-N 3.47Å; A301-G305 PolarHBondContact O-N 2.99Å; A301-G305 VanDerWaalsContact O-N 3.17Å; A301-L311 HydrophobicContact CB-CB 4.35Å; A301-L311 HydrophobicContact CB-CD1 4.36Å; A301-R312 HydrophobicContact CB-CG 4.06Å
302E62.5Low57.8Low127 Ų12769.5 Ų69.559%0.59338%0.383SS*.Hα-helixtrans-76.9-42.6174.5-162.3160.8161.400110.7C298 Q299 E300 L304 G305C298-E302 WeakPolarHBondContact O-CB 3.5Å; C298-E302 PolarHBondContact O-N 2.83Å; Q299-E302 PolarHBondContact O-N 2.79Å; E300-E302 PolarHBondContact O-N 2.99Å; E302-L304 VanDerWaalsContact C-N 3.3Å; E302-L304 PolarHBondContact O-N 3.49Å; E302-G305 PolarHBondContact O-N 3.37Å
303R62.6Low58.4Low170 Ų17075 Ų7564%0.64239%0.393SS*.Hα-helixtrans-60.6-34.7171-164.7-168.871.476.2-2113.1Q299 E300Q299-R303 WeakPolarHBondContact O-CB 3.35Å; Q299-R303 PolarHBondContact O-N 3.27Å; E300-R303 PolarHBondContact O-N 3.5Å; E300-R303 IonicContact OE1-CZ 3.53Å; E300-R303 IonicContact OE1-NE 3.81Å; E300-R303 IonicContact OE1-NH2 2.96Å; E300-R303 PolarHBondContact OE1-NH2 2.76Å; E300-R303 IonicContact OE2-CZ 2.76Å; E300-R303 IonicContact OE2-NE 3.51Å; E300-R303 PolarHBondContact OE2-NE 3.26Å; E300-R303 IonicContact OE2-NH2 3.24Å; E300-R303 PolarHBondContact OE2-NH2 2.92Å
304L63.9Low59Low67 Ų6781.3 Ų81.335%0.35142%0.417SS..THydrogen-bonded Turntrans-89.3-3.4178.1-67.2174.4000113.8E300 E302 A307 G308E300-L304 HydrophobicContact CG-CD1 3.91Å; E300-L304 HydrophobicContact CG-CG 4.42Å; E300-L304 VanDerWaalsContact O-CB 3.28Å; E300-L304 WeakPolarHBondContact O-CB 3.39Å; E300-L304 WeakPolarHBondContact O-CG 3.44Å; E300-L304 PolarHBondContact O-N 3.06Å; E300-L304 WeakPolarHBondContact OE1-CD1 3.26Å; E302-L304 VanDerWaalsContact C-N 3.3Å; E302-L304 PolarHBondContact O-N 3.49Å; L304-A307 WeakPolarHBondContact O-CB 3.45Å; L304-A307 PolarHBondContact O-N 2.84Å; L304-A307 VanDerWaalsContact O-N 3.11Å; L304-G308 PolarHBondContact O-N 2.91Å
305G68.4Low59.4Low33 Ų3378.4 Ų78.434%0.3441%0.41SS..Hα-helixtrans50.4-127176.300000114.1A301 E302 A307 G308 A309A301-G305 PolarHBondContact O-N 2.99Å; A301-G305 VanDerWaalsContact O-N 3.17Å; E302-G305 PolarHBondContact O-N 3.37Å; G305-A307 VanDerWaalsContact C-N 3.25Å; G305-A307 PolarHBondContact O-N 3.2Å; G305-G308 WeakPolarHBondContact O-CA 3.32Å; G305-G308 PolarHBondContact O-N 3.48Å; G305-A309 PolarHBondContact O-N 3.35Å
306P65.1Low59.8Low129 Ų12982.2 Ų82.284%0.83843%0.429SS*.Hα-helixtrans-57.2-32179.7-25.535.1000114.6G308 A309P306-G308 VanDerWaalsContact C-N 3.34Å; P306-A309 VanDerWaalsContact O-CB 3.24Å; P306-A309 WeakPolarHBondContact O-CB 3.34Å; P306-A309 PolarHBondContact O-N 3.12Å
307A59.3Low60.2Low79 Ų7980.6 Ų80.665%0.65342%0.417SS*.Hα-helixtrans-70.2-32.8176.600000111.8L304 G305 A309L304-A307 WeakPolarHBondContact O-CB 3.45Å; L304-A307 PolarHBondContact O-N 2.84Å; L304-A307 VanDerWaalsContact O-N 3.11Å; G305-A307 VanDerWaalsContact C-N 3.25Å; G305-A307 PolarHBondContact O-N 3.2Å; A307-A309 PolarHBondContact O-N 3.19Å
308G57Low60.8Low1 Ų181.6 Ų81.61%0.0143%0.426CS..Hα-helixtrans-67.9-16.1173.500000114.6L304 G305 P306 S310 L311L304-G308 PolarHBondContact O-N 2.91Å; G305-G308 WeakPolarHBondContact O-CA 3.32Å; G305-G308 PolarHBondContact O-N 3.48Å; P306-G308 VanDerWaalsContact C-N 3.34Å; G308-S310 PolarHBondContact O-N 2.73Å; G308-S310 VanDerWaalsContact O-N 3.11Å; G308-L311 WeakPolarHBondContact O-CB 3.36Å; G308-L311 PolarHBondContact O-N 3.18Å
309A59.7Low61.5Low37 Ų3781.8 Ų81.831%0.30643%0.427SS..Hα-helixtrans-59.5-27.4-177.800000113.5G305 P306 A307 L311 R312 R313G305-A309 PolarHBondContact O-N 3.35Å; P306-A309 VanDerWaalsContact O-CB 3.24Å; P306-A309 WeakPolarHBondContact O-CB 3.34Å; P306-A309 PolarHBondContact O-N 3.12Å; A307-A309 PolarHBondContact O-N 3.19Å; A309-L311 VanDerWaalsContact C-N 3.34Å; A309-L311 PolarHBondContact O-N 3.01Å; A309-R312 PolarHBondContact O-N 3.08Å; A309-R313 WeakPolarHBondContact O-CG 3.47Å; A309-R313 PolarHBondContact O-N 2.81Å
310S58.2Low61.7Low61 Ų6182.6 Ų82.643%0.42743%0.431SS..Hα-helixtrans-63.2-37.8176.2-163.90000112.7G308 R312 R313 K314G308-S310 PolarHBondContact O-N 2.73Å; G308-S310 VanDerWaalsContact O-N 3.11Å; S310-R312 VanDerWaalsContact C-N 3.34Å; S310-R313 PolarHBondContact O-N 2.78Å; S310-K314 PolarHBondContact O-N 3.33Å
311L57Low62.1Low67 Ų6781.8 Ų81.835%0.35143%0.428SS..Hα-helixtrans-66.6-37176.1-67.5161.4000111.4N297 A301 G308 A309N297-L311 WeakPolarHBondContact OD1-CB 3.36Å; A301-L311 HydrophobicContact CB-CB 4.35Å; A301-L311 HydrophobicContact CB-CD1 4.36Å; G308-L311 WeakPolarHBondContact O-CB 3.36Å; G308-L311 PolarHBondContact O-N 3.18Å; A309-L311 VanDerWaalsContact C-N 3.34Å; A309-L311 PolarHBondContact O-N 3.01Å
312R56Low61.5Low150 Ų15087.5 Ų87.557%0.56647%0.465SS*.Hα-helixtrans-70.8-34.4175.2-52.4-171.6100.6-143.912.5112.3A301 A309 S310A301-R312 HydrophobicContact CB-CG 4.06Å; A309-R312 PolarHBondContact O-N 3.08Å; S310-R312 VanDerWaalsContact C-N 3.34Å
313R53.8Low61Low209 Ų20985.9 Ų85.979%0.78948%0.483SS*.Hα-helixtrans-71.8-24.8-178.9-78.1-163-65.4-146.11.4115A309 S310 G315A309-R313 WeakPolarHBondContact O-CG 3.47Å; A309-R313 PolarHBondContact O-N 2.81Å; S310-R313 PolarHBondContact O-N 2.78Å; R313-G315 PolarHBondContact O-N 3Å
314K58Low61.2Low162 Ų16278.9 Ų78.970%0.70446%0.459SS*.THydrogen-bonded Turntrans-75.7-7.9178.6-72.6-177.5177.3-178.70114.2S310 L316S310-K314 PolarHBondContact O-N 3.33Å; K314-L316 HydrophobicContact CB-CB 4.44Å; K314-L316 VanDerWaalsContact O-CB 3.32Å; K314-L316 WeakPolarHBondContact O-CB 3.11Å; K314-L316 PolarHBondContact O-N 2.84Å; K314-L316 VanDerWaalsContact O-N 3.08Å
315G59Low61.4Low37 Ų3778.8 Ų78.838%0.38148%0.475SS..THydrogen-bonded Turntrans60.718.9177.500000114.4R313 G329R313-G315 PolarHBondContact O-N 3Å; G315-G329 CarbonylContact O-C 3.43Å; G315-G329 VanDerWaalsContact O-CA 3.26Å; G315-G329 WeakPolarHBondContact O-CA 3.07Å
316L63.5Low61.5Low87 Ų8782.3 Ų82.346%0.45548%0.481SS..  trans-135.9120.1-161.2-174.964.4000109.7K314 V327K314-L316 HydrophobicContact CB-CB 4.44Å; K314-L316 VanDerWaalsContact O-CB 3.32Å; K314-L316 WeakPolarHBondContact O-CB 3.11Å; K314-L316 PolarHBondContact O-N 2.84Å; K314-L316 VanDerWaalsContact O-N 3.08Å; L316-V327 HydrophobicContact CD1-CB 4.21Å; L316-V327 HydrophobicContact CD1-CG1 3.47Å; L316-V327 VanDerWaalsContact CD1-CG1 3.47Å; L316-V327 HydrophobicContact CD2-CG1 3.91Å; L316-V327 HydrophobicContact CG-CG1 3.39Å
317H70.6Confident61.9Low26 Ų2679.8 Ų79.812%0.1246%0.463CS..EExtended strand (participates in β ladder)trans-116.9110.9-169.6-49.8-77.6000110.4Y328 K330 T331 L334H317-Y328 PolarHBondContact CD2-O 2.67Å; H317-Y328 PolarHBondContact N-O 2.69Å; H317-Y328 PolarHBondContact O-N 3.24Å; H317-K330 VanDerWaalsContact CD2-C 3.48Å; H317-T331 PolarHBondContact CD2-N 3.08Å; H317-T331 VanDerWaalsContact CD2-N 3.33Å; H317-T331 WeakPolarHBondContact CE1-CG2 3.32Å; H317-T331 WeakPolarHBondContact NE2-CG2 3.48Å; H317-L334 HydrophobicContact CB-CB 4.1Å; H317-L334 HydrophobicContact CB-CD2 3.59Å; H317-L334 HydrophobicContact CB-CG 4.43Å
318S67.3Low62.7Low52 Ų5278.9 Ų78.936%0.36444%0.443SS..EExtended strand (participates in β ladder)trans-81.5147.9178.245.50000112.9L334S318-L334 WeakPolarHBondContact O-CD2 3.24Å
319C69.6Low63.4Low12 Ų1281.4 Ų81.48%0.08147%0.469CS..  trans-75.3126.2164.5-169.50000109.6I321 C324 K326 L334 H337C319-I321 VanDerWaalsContact C-N 3.3Å; C319-C324 HydrophobicContact CB-CB 4.41Å; C319-K326 WeakPolarHBondContact CB-O 3.46Å; C319-K326 PolarHBondContact N-O 2.8Å; C319-L334 HydrophobicContact CB-CD1 4.08Å; C319-H337 PolarHBondContact SG-NE2 3.32Å
320H65.8Low64.1Low151 Ų15185.8 Ų85.870%0.69948%0.481SS*.  trans-78.6-13.9180178.459.1000113.1P296P296-H320 HydrophobicContact CG-CB 4.45Å
321I67.5Low64.7Low56 Ų5685.7 Ų85.729%0.28748%0.478SS..SBendtrans-73.1124.7-170.9-63.4177.5000110C319 G323 C324 L338 H341C319-I321 VanDerWaalsContact C-N 3.3Å; I321-G323 PolarHBondContact O-N 3.36Å; I321-C324 HydrophobicContact CB-CB 4.48Å; I321-C324 WeakPolarHBondContact O-CB 3.26Å; I321-C324 PolarHBondContact O-N 2.99Å; I321-C324 VanDerWaalsContact O-N 3.09Å; I321-L338 HydrophobicContact CD1-CD2 4.03Å; I321-L338 HydrophobicContact CG1-CD2 4.44Å; I321-H341 HydrophobicContact CD1-CB 3.25Å; I321-H341 VanDerWaalsContact CD1-CG 3.46Å
322P45.8Very low65.4Low125 Ų12585.9 Ų85.981%0.81249%0.485SS*.THydrogen-bonded Turntrans-59.3138.4-17623.4-33.6000111C324P322-C324 VanDerWaalsContact C-N 3.29Å; P322-C324 PolarHBondContact O-N 3.05Å
323G53Low66.3Low93 Ų9382.9 Ų82.996%0.95948%0.477SS*.THydrogen-bonded Turntrans79.8-4.9-175.400000115.8I321I321-G323 PolarHBondContact O-N 3.36Å
324C67.8Low67.2Low22 Ų2273 Ų7315%0.14944%0.44CS..THydrogen-bonded Turntrans-87.6-48.7178.4-170.40000114C319 I321 P322 K326 H337 H341C319-C324 HydrophobicContact CB-CB 4.41Å; I321-C324 HydrophobicContact CB-CB 4.48Å; I321-C324 WeakPolarHBondContact O-CB 3.26Å; I321-C324 PolarHBondContact O-N 2.99Å; I321-C324 VanDerWaalsContact O-N 3.09Å; P322-C324 VanDerWaalsContact C-N 3.29Å; P322-C324 PolarHBondContact O-N 3.05Å; C324-K326 PolarHBondContact O-N 2.78Å; C324-H337 PolarHBondContact SG-CE1 3.11Å; C324-H337 PolarHBondContact SG-NE2 3.45Å; C324-H341 PolarHBondContact SG-NE2 3.47Å
325G67.5Low67.8Low66 Ų6670 Ų7068%0.6843%0.427SS*.  trans63.7-1.9175.600000117.2V327G325-V327 WeakPolarHBondContact O-CG2 3.33Å
326K69.6Low68.4Low107 Ų10769.1 Ų69.147%0.46542%0.416SS..  trans-73.9142.7-174.3-66.6176.7-168.3176.10112.4C319 C324 Y328C319-K326 WeakPolarHBondContact CB-O 3.46Å; C319-K326 PolarHBondContact N-O 2.8Å; C324-K326 PolarHBondContact O-N 2.78Å; K326-Y328 HydrophobicContact CB-CE2 3.69Å; K326-Y328 WeakPolarHBondContact CD-OH 3.46Å
327V74Confident68.9Low76 Ų7665.8 Ų65.846%0.46140%0.398SS..EExtended strand (participates in β ladder)trans-133.8137.7-175.1-1540000110.5L316 G325L316-V327 HydrophobicContact CD1-CB 4.21Å; L316-V327 HydrophobicContact CD1-CG1 3.47Å; L316-V327 VanDerWaalsContact CD1-CG1 3.47Å; L316-V327 HydrophobicContact CD2-CG1 3.91Å; L316-V327 HydrophobicContact CG-CG1 3.39Å; G325-V327 WeakPolarHBondContact O-CG2 3.33Å
328Y75.7Confident68.8Low59 Ų5966 Ų6623%0.23140%0.4CS..EExtended strand (participates in β ladder)trans-132.1128.7-168.3-63.6-83.5000112.5H317 K326 K330 H333 L334 H337H317-Y328 PolarHBondContact CD2-O 2.67Å; H317-Y328 PolarHBondContact N-O 2.69Å; H317-Y328 PolarHBondContact O-N 3.24Å; K326-Y328 HydrophobicContact CB-CE2 3.69Å; K326-Y328 WeakPolarHBondContact CD-OH 3.46Å; Y328-K330 PolarHBondContact O-N 3.08Å; Y328-H333 HydrophobicContact CD1-CB 3.68Å; Y328-H333 HydrophobicContact CE1-CB 4.49Å; Y328-H333 HydrophobicContact CG-CB 4.08Å; Y328-L334 HydrophobicContact CD2-CB 4.13Å; Y328-L334 HydrophobicContact CD2-CD1 3.95Å; Y328-L334 HydrophobicContact CE2-CD1 4.35Å; Y328-L334 HydrophobicContact CG-CB 4.47Å; Y328-H337 HydrophobicContact CE1-CB 4.45Å; Y328-H337 HydrophobicContact CE2-CB 3.71Å; Y328-H337 AromaticContact CE2-CD2 3.39Å; Y328-H337 WeakPolarHBondContact CE2-CD2 3.3Å; Y328-H337 AromaticContact CE2-CG 3.54Å; Y328-H337 AromaticContact CZ-CD2 3.93Å; Y328-H337 AromaticContact CZ-CG 3.62Å; Y328-H337 PolarHBondContact OH-ND1 2.96Å
329G72.9Confident68.9Low55 Ų5566.3 Ų66.357%0.56739%0.393SS*.SBendtrans-70.86.2176.400000116G315G315-G329 CarbonylContact O-C 3.43Å; G315-G329 VanDerWaalsContact O-CA 3.26Å; G315-G329 WeakPolarHBondContact O-CA 3.07Å
330K73.4Confident68.6Low129 Ų12975 Ų7556%0.56143%0.425SS*.SBendtrans-146.4133.7179.5-64-174.1-178.3-1800110.8H317 Y328 S332 H333 L334H317-K330 VanDerWaalsContact CD2-C 3.48Å; Y328-K330 PolarHBondContact O-N 3.08Å; K330-S332 VanDerWaalsContact C-N 3.26Å; K330-S332 PolarHBondContact O-N 3.12Å; K330-H333 HydrophobicContact CB-CB 4.49Å; K330-H333 PolarHBondContact O-N 2.82Å; K330-H333 VanDerWaalsContact O-N 3.11Å; K330-L334 PolarHBondContact O-N 2.95Å
331T71.2Confident68.5Low58 Ų5871.4 Ų71.436%0.35641%0.408SS..Hα-helixtrans-55.4-38.5176.350.70000112.9C293 H317 H333 L334 K335C293-T331 HydrophobicContact CB-CG2 4.11Å; H317-T331 PolarHBondContact CD2-N 3.08Å; H317-T331 VanDerWaalsContact CD2-N 3.33Å; H317-T331 WeakPolarHBondContact CE1-CG2 3.32Å; H317-T331 WeakPolarHBondContact NE2-CG2 3.48Å; T331-H333 VanDerWaalsContact C-N 3.31Å; T331-H333 PolarHBondContact O-N 3.14Å; T331-L334 PolarHBondContact O-N 3.37Å; T331-K335 PolarHBondContact O-N 3.48Å
332S71.8Confident68.2Low71 Ų7172.8 Ų72.850%0.49742%0.419SS..Hα-helixtrans-62.1-36.5178.456.80000112.9K330 A336K330-S332 VanDerWaalsContact C-N 3.26Å; K330-S332 PolarHBondContact O-N 3.12Å; S332-A336 WeakPolarHBondContact O-CB 3.4Å; S332-A336 PolarHBondContact O-N 3.45Å
333H74.4Confident68.7Low88 Ų8869.2 Ų69.241%0.40741%0.405SS..Hα-helixtrans-72.5-40.4176.5-67.6-174.8000111.2Y328 K330 T331 A336 H337Y328-H333 HydrophobicContact CD1-CB 3.68Å; Y328-H333 HydrophobicContact CE1-CB 4.49Å; Y328-H333 HydrophobicContact CG-CB 4.08Å; K330-H333 HydrophobicContact CB-CB 4.49Å; K330-H333 PolarHBondContact O-N 2.82Å; K330-H333 VanDerWaalsContact O-N 3.11Å; T331-H333 VanDerWaalsContact C-N 3.31Å; T331-H333 PolarHBondContact O-N 3.14Å; H333-A336 PolarHBondContact O-N 3.02Å; H333-H337 VanDerWaalsContact O-CB 3.3Å; H333-H337 WeakPolarHBondContact O-CB 3.07Å; H333-H337 PolarHBondContact O-N 3.11Å
334L73.1Confident68.9Low1 Ų170.3 Ų70.31%0.00539%0.385CS..Hα-helixtrans-62.7-45.5172.4178.262.7000111.4C295 H317 S318 C319 Y328 K330 T331 A336 H337 L338C295-L334 HydrophobicContact CB-CD2 3.81Å; H317-L334 HydrophobicContact CB-CB 4.1Å; H317-L334 HydrophobicContact CB-CD2 3.59Å; H317-L334 HydrophobicContact CB-CG 4.43Å; S318-L334 WeakPolarHBondContact O-CD2 3.24Å; C319-L334 HydrophobicContact CB-CD1 4.08Å; Y328-L334 HydrophobicContact CD2-CB 4.13Å; Y328-L334 HydrophobicContact CD2-CD1 3.95Å; Y328-L334 HydrophobicContact CE2-CD1 4.35Å; Y328-L334 HydrophobicContact CG-CB 4.47Å; K330-L334 PolarHBondContact O-N 2.95Å; T331-L334 PolarHBondContact O-N 3.37Å; L334-A336 VanDerWaalsContact C-N 3.35Å; L334-A336 PolarHBondContact O-N 3.31Å; L334-H337 CarbonylContact O-C 3.27Å; L334-H337 WeakPolarHBondContact O-CB 3.36Å; L334-H337 PolarHBondContact O-N 3.3Å; L334-H337 VanDerWaalsContact O-N 3.09Å; L334-L338 HydrophobicContact CD1-CD1 4.15Å; L334-L338 HydrophobicContact CD1-CD2 4.45Å; L334-L338 HydrophobicContact CD1-CG 3.99Å; L334-L338 HydrophobicContact CD2-CD1 4.4Å; L334-L338 HydrophobicContact CG-CD1 3.89Å; L334-L338 HydrophobicContact CG-CG 4.22Å; L334-L338 WeakPolarHBondContact O-CG 3.34Å; L334-L338 PolarHBondContact O-N 3.39Å
335K71Confident68.7Low98 Ų9875.7 Ų75.743%0.42640%0.402SS..Hα-helixtrans-64-38.8179.3-164.5162.6-173.5171.50111.8D294 T331 H337 R339D294-K335 IonicContact OD2-NZ 2.8Å; D294-K335 PolarHBondContact OD2-NZ 3.17Å; T331-K335 PolarHBondContact O-N 3.48Å; K335-H337 VanDerWaalsContact C-N 3.33Å; K335-R339 WeakPolarHBondContact O-CG 3.42Å; K335-R339 PolarHBondContact O-N 2.85Å
336A71.4Confident68.6Low19 Ų1976 Ų7616%0.15739%0.392CS..Hα-helixtrans-67.2-31.4172.100000113.4S332 H333 L334 R360S332-A336 WeakPolarHBondContact O-CB 3.4Å; S332-A336 PolarHBondContact O-N 3.45Å; H333-A336 PolarHBondContact O-N 3.02Å; L334-A336 VanDerWaalsContact C-N 3.35Å; L334-A336 PolarHBondContact O-N 3.31Å; A336-R360 HydrophobicContact CB-CG 4.05Å
337H74.7Confident68.3Low18 Ų1873.7 Ų73.78%0.08338%0.382CS..Hα-helixtrans-75.1-40.6174.6168.255.1000112.7C319 C324 Y328 H333 L334 K335 R339 W340 H341C319-H337 PolarHBondContact SG-NE2 3.32Å; C324-H337 PolarHBondContact SG-CE1 3.11Å; C324-H337 PolarHBondContact SG-NE2 3.45Å; Y328-H337 HydrophobicContact CE1-CB 4.45Å; Y328-H337 HydrophobicContact CE2-CB 3.71Å; Y328-H337 AromaticContact CE2-CD2 3.39Å; Y328-H337 WeakPolarHBondContact CE2-CD2 3.3Å; Y328-H337 AromaticContact CE2-CG 3.54Å; Y328-H337 AromaticContact CZ-CD2 3.93Å; Y328-H337 AromaticContact CZ-CG 3.62Å; Y328-H337 PolarHBondContact OH-ND1 2.96Å; H333-H337 VanDerWaalsContact O-CB 3.3Å; H333-H337 WeakPolarHBondContact O-CB 3.07Å; H333-H337 PolarHBondContact O-N 3.11Å; L334-H337 CarbonylContact O-C 3.27Å; L334-H337 WeakPolarHBondContact O-CB 3.36Å; L334-H337 PolarHBondContact O-N 3.3Å; L334-H337 VanDerWaalsContact O-N 3.09Å; K335-H337 VanDerWaalsContact C-N 3.33Å; H337-R339 PolarHBondContact O-N 3.47Å; H337-W340 WeakPolarHBondContact O-CB 3.38Å; H337-W340 PolarHBondContact O-N 3.05Å; H337-H341 AromaticContact CE1-CD2 3.52Å; H337-H341 AromaticContact CE1-NE2 3.16Å; H337-H341 PolarHBondContact CE1-NE2 3.26Å; H337-H341 AromaticContact NE2-CD2 3.69Å; H337-H341 AromaticContact NE2-NE2 3.4Å; H337-H341 PolarHBondContact NE2-NE2 3.33Å
338L67.4Low68Low31 Ų3173.2 Ų73.216%0.16238%0.38CS..Hα-helixtrans-60.5-35176.7-72.1168.5000111.5I321 L334 W340 H341 T342I321-L338 HydrophobicContact CD1-CD2 4.03Å; I321-L338 HydrophobicContact CG1-CD2 4.44Å; L334-L338 HydrophobicContact CD1-CD1 4.15Å; L334-L338 HydrophobicContact CD1-CD2 4.45Å; L334-L338 HydrophobicContact CD1-CG 3.99Å; L334-L338 HydrophobicContact CD2-CD1 4.4Å; L334-L338 HydrophobicContact CG-CD1 3.89Å; L334-L338 HydrophobicContact CG-CG 4.22Å; L334-L338 WeakPolarHBondContact O-CG 3.34Å; L334-L338 PolarHBondContact O-N 3.39Å; L338-W340 PolarHBondContact O-N 2.81Å; L338-W340 VanDerWaalsContact O-N 3.17Å; L338-H341 PolarHBondContact O-N 3.27Å; L338-T342 PolarHBondContact O-N 3.28Å; L338-T342 PolarHBondContact O-OG1 2.05Å
339R70.1Confident68Low57 Ų5770.6 Ų70.622%0.21537%0.37CS..Hα-helixtrans-57.5-23.5170.5-74177.6-178.8163-0115K335 H337 T342 G343 E344 T359K335-R339 WeakPolarHBondContact O-CG 3.42Å; K335-R339 PolarHBondContact O-N 2.85Å; H337-R339 PolarHBondContact O-N 3.47Å; R339-T342 WeakPolarHBondContact CA-OG1 3.33Å; R339-G343 PolarHBondContact O-N 3.11Å; R339-G343 VanDerWaalsContact O-N 3.16Å; R339-E344 WeakPolarHBondContact CB-O 3.02Å; R339-E344 HydrophobicContact CG-CB 4.15Å; R339-E344 PolarHBondContact O-N 3.23Å; R339-T359 HydrophobicContact CB-CG2 4.07Å; R339-T359 WeakPolarHBondContact CD-O 3.45Å; R339-T359 PolarHBondContact NH1-O 2.83Å
340W62.3Low67.7Low194 Ų19475.5 Ų75.574%0.73538%0.383SS*.Hα-helixtrans-69.9-35.3171.9179.8-100.2000111.8H337 L338H337-W340 WeakPolarHBondContact O-CB 3.38Å; H337-W340 PolarHBondContact O-N 3.05Å; L338-W340 PolarHBondContact O-N 2.81Å; L338-W340 VanDerWaalsContact O-N 3.17Å
341H63.3Low67.5Low77 Ų7775.3 Ų75.336%0.35638%0.379SS..Hα-helixtrans-84.2-37.2179.3-69.4-84.8000113.1I321 C324 H337 L338 G343I321-H341 HydrophobicContact CD1-CB 3.25Å; I321-H341 VanDerWaalsContact CD1-CG 3.46Å; C324-H341 PolarHBondContact SG-NE2 3.47Å; H337-H341 AromaticContact CE1-CD2 3.52Å; H337-H341 AromaticContact CE1-NE2 3.16Å; H337-H341 PolarHBondContact CE1-NE2 3.26Å; H337-H341 AromaticContact NE2-CD2 3.69Å; H337-H341 AromaticContact NE2-NE2 3.4Å; H337-H341 PolarHBondContact NE2-NE2 3.33Å; L338-H341 PolarHBondContact O-N 3.27Å; H341-G343 VanDerWaalsContact C-N 3.27Å; H341-G343 PolarHBondContact O-N 2.91Å
342T62.2Low66.8Low85 Ų8580 Ų8052%0.52140%0.401SS..Hα-helixtrans-78.4-11.4176.560.60000113.1L338 R339 E344L338-T342 PolarHBondContact O-N 3.28Å; L338-T342 PolarHBondContact O-OG1 2.05Å; R339-T342 WeakPolarHBondContact CA-OG1 3.33Å; T342-E344 PolarHBondContact O-N 3.4Å; T342-E344 WeakPolarHBondContact OG1-CG 3.45Å
343G57.2Low66.3Low50 Ų5085.4 Ų85.452%0.51542%0.416SS..  trans71.32.3-176.100000114.3R339 H341 R345R339-G343 PolarHBondContact O-N 3.11Å; R339-G343 VanDerWaalsContact O-N 3.16Å; H341-G343 VanDerWaalsContact C-N 3.27Å; H341-G343 PolarHBondContact O-N 2.91Å; G343-R345 PolarHBondContact O-N 2.86Å; G343-R345 VanDerWaalsContact O-N 3.11Å
344E56.6Low66.2Low116 Ų11682.4 Ų82.454%0.54241%0.405SS..  trans-64.8109.6179.7-73.7-178.2167.900111.5R339 T342 P346R339-E344 WeakPolarHBondContact CB-O 3.02Å; R339-E344 HydrophobicContact CG-CB 4.15Å; R339-E344 PolarHBondContact O-N 3.23Å; T342-E344 PolarHBondContact O-N 3.4Å; T342-E344 WeakPolarHBondContact OG1-CG 3.45Å; E344-P346 WeakPolarHBondContact O-CD 3.38Å
345R63Low65.7Low134 Ų13484.7 Ų84.751%0.50643%0.428SS..  trans-113.774.5176.6-63.3165.779.7152.41109.5G343 F347 R357 F358 T359G343-R345 PolarHBondContact O-N 2.86Å; G343-R345 VanDerWaalsContact O-N 3.11Å; R345-F347 PolarHBondContact O-N 3Å; R345-R357 HydrophobicContact CB-CB 3.45Å; R345-R357 VanDerWaalsContact CB-CB 3.45Å; R345-R357 HydrophobicContact CG-CB 4.38Å; R345-R357 PolarHBondContact NE-O 2.78Å; R345-R357 PolarHBondContact NH2-O 2.68Å; R345-F358 CarbonylContact C-O 3.35Å; R345-F358 VanDerWaalsContact C-O 3.27Å; R345-F358 VanDerWaalsContact CA-O 3.32Å; R345-F358 WeakPolarHBondContact CA-O 3.34Å; R345-T359 HydrophobicContact CG-CG2 3.99Å
346P64.7Low65.6Low72 Ų7285.5 Ų85.547%0.46843%0.432SS..  trans-70.1-15-172.428.6-36.4000114.1E344E344-P346 WeakPolarHBondContact O-CD 3.38Å
347F64.9Low65.8Low59 Ų5991.5 Ų91.526%0.25945%0.45SS..EExtended strand (participates in β ladder)trans-97.894.2-178.7-59.4-72.8000110.2R345 R357 F358 R360 S361 L364R345-F347 PolarHBondContact O-N 3Å; F347-R357 CarbonylContact O-C 3.57Å; F347-R357 WeakPolarHBondContact O-CA 3.4Å; F347-F358 HydrophobicContact CB-CB 4.19Å; F347-F358 WeakPolarHBondContact CB-O 3.49Å; F347-F358 PolarHBondContact N-O 3.39Å; F347-F358 VanDerWaalsContact N-O 3.1Å; F347-F358 PolarHBondContact O-N 3.3Å; F347-R360 VanDerWaalsContact CE2-C 3.49Å; F347-S361 VanDerWaalsContact CE2-N 3.33Å; F347-L364 HydrophobicContact CB-CB 3.92Å; F347-L364 HydrophobicContact CB-CD2 3.79Å; F347-L364 HydrophobicContact CB-CG 4.45Å
348V66.6Low65.7Low66 Ų6692 Ų9240%0.445%0.453SS..EExtended strand (participates in β ladder)trans-89.5138.7-180-171.70000110.4N350 R357 L364V348-N350 PolarHBondContact O-N 3.13Å; V348-R357 HydrophobicContact CB-CG 4.45Å; V348-R357 HydrophobicContact CG1-CG 4.18Å; V348-R357 HydrophobicContact CG2-CG 3.94Å; V348-L364 WeakPolarHBondContact O-CD2 3.14Å
349C75.6Confident65.7Low4 Ų492.2 Ų92.23%0.02746%0.455CS..  trans-70.6114.1165.8-172.60000109.5W351 C354 K356 L364 H367 H371C349-W351 PolarHBondContact O-N 2.72Å; C349-W351 VanDerWaalsContact SG-CB 3.56Å; C349-C354 HydrophobicContact CB-CB 4.44Å; C349-K356 HydrophobicContact CB-CB 4.41Å; C349-K356 VanDerWaalsContact CB-O 3.27Å; C349-K356 WeakPolarHBondContact CB-O 3.48Å; C349-K356 PolarHBondContact N-O 3.19Å; C349-L364 HydrophobicContact CB-CD1 4.07Å; C349-H367 PolarHBondContact SG-NE2 3.03Å; C349-H371 PolarHBondContact SG-NE2 2.87Å
350N67.3Low65.8Low159 Ų15994.6 Ų94.685%0.8546%0.464SS*.  trans-75.87.5178.4-156.555.7000113.7V348 L352V348-N350 PolarHBondContact O-N 3.13Å; N350-L352 PolarHBondContact O-N 3.29Å
351W68Low66.3Low125 Ų12588.4 Ų88.447%0.47345%0.451SS..  trans-75.5120.6173.5-163.7-82.9000109C349 F353 C354 H371C349-W351 PolarHBondContact O-N 2.72Å; C349-W351 VanDerWaalsContact SG-CB 3.56Å; W351-F353 VanDerWaalsContact C-N 3.27Å; W351-F353 PolarHBondContact O-N 3.35Å; W351-F353 VanDerWaalsContact O-N 3.1Å; W351-C354 HydrophobicContact CB-CB 3.86Å; W351-C354 HydrophobicContact CG-CB 4.39Å; W351-C354 WeakPolarHBondContact O-CB 3.44Å; W351-C354 PolarHBondContact O-N 3.34Å; W351-H371 HydrophobicContact CD2-CB 3.97Å; W351-H371 AromaticContact CD2-CG 3.78Å; W351-H371 HydrophobicContact CE3-CB 3.66Å; W351-H371 AromaticContact CE3-CG 3.89Å; W351-H371 AromaticContact CG-CE1 3.93Å; W351-H371 AromaticContact CG-ND1 3.99Å; W351-H371 AromaticContact CG-NE2 3.98Å; W351-H371 HydrophobicContact CH2-CB 4.14Å; W351-H371 HydrophobicContact CZ2-CB 4.42Å; W351-H371 HydrophobicContact CZ3-CB 3.75Å
352L57.7Low66.8Low157 Ų15787.3 Ų87.382%0.82245%0.447SS*.THydrogen-bonded Turntrans-52.4-40.9-164-167.866.1000113.7N350N350-L352 PolarHBondContact O-N 3.29Å
353F60.6Low67.5Low183 Ų18386.6 Ų86.680%0.80344%0.438SS*.THydrogen-bonded Turntrans-89.1-3.6-179.2-53.6-73.7000114.6W351W351-F353 VanDerWaalsContact C-N 3.27Å; W351-F353 PolarHBondContact O-N 3.35Å; W351-F353 VanDerWaalsContact O-N 3.1Å
354C73.1Confident68.4Low25 Ų2585.3 Ų85.317%0.16942%0.419CS..THydrogen-bonded Turntrans-97.4-47.5-170.1-161.40000113.8C349 W351 K356 H367 H371C349-C354 HydrophobicContact CB-CB 4.44Å; W351-C354 HydrophobicContact CB-CB 3.86Å; W351-C354 HydrophobicContact CG-CB 4.39Å; W351-C354 WeakPolarHBondContact O-CB 3.44Å; W351-C354 PolarHBondContact O-N 3.34Å; C354-K356 PolarHBondContact O-N 2.82Å; C354-K356 VanDerWaalsContact SG-CD 3.56Å; C354-H367 PolarHBondContact SG-CE1 3.22Å; C354-H367 PolarHBondContact SG-NE2 2.92Å; C354-H371 PolarHBondContact SG-CE1 3.43Å; C354-H371 PolarHBondContact SG-NE2 2.89Å; C354-H371 VanDerWaalsContact SG-NE2 3.43Å
355G62.3Low69.3Low49 Ų4985.1 Ų85.151%0.50542%0.418SS..  trans59-2.9178.400000117.2R357G355-R357 WeakPolarHBondContact O-CG 3.4Å; G355-R357 PolarHBondContact O-N 3.04Å
356K69.6Low70Confident115 Ų11581.4 Ų81.450%0.540%0.404SS..  trans-63.6122.3-172.6-70.5178.4-168.7176.40110.6C349 C354 F358C349-K356 HydrophobicContact CB-CB 4.41Å; C349-K356 VanDerWaalsContact CB-O 3.27Å; C349-K356 WeakPolarHBondContact CB-O 3.48Å; C349-K356 PolarHBondContact N-O 3.19Å; C354-K356 PolarHBondContact O-N 2.82Å; C354-K356 VanDerWaalsContact SG-CD 3.56Å; K356-F358 HydrophobicContact CB-CE2 3.8Å; K356-F358 HydrophobicContact CB-CZ 3.74Å; K356-F358 VanDerWaalsContact O-CE2 3.28Å; K356-F358 WeakPolarHBondContact O-CE2 3.41Å
357R74.4Confident70.7Confident145 Ų14578.6 Ų78.655%0.54739%0.385SS..EExtended strand (participates in β ladder)trans-100.9150178.2-49.6-168.7167.1178.8-6.1111.7R345 F347 V348 G355R345-R357 HydrophobicContact CB-CB 3.45Å; R345-R357 VanDerWaalsContact CB-CB 3.45Å; R345-R357 HydrophobicContact CG-CB 4.38Å; R345-R357 PolarHBondContact NE-O 2.78Å; R345-R357 PolarHBondContact NH2-O 2.68Å; F347-R357 CarbonylContact O-C 3.57Å; F347-R357 WeakPolarHBondContact O-CA 3.4Å; V348-R357 HydrophobicContact CB-CG 4.45Å; V348-R357 HydrophobicContact CG1-CG 4.18Å; V348-R357 HydrophobicContact CG2-CG 3.94Å; G355-R357 WeakPolarHBondContact O-CG 3.4Å; G355-R357 PolarHBondContact O-N 3.04Å
358F73.9Confident71.2Confident30 Ų3078.4 Ų78.413%0.13239%0.386CS..EExtended strand (participates in β ladder)trans-135.4152.9-178.3-55.6-83000112R345 F347 K356 E363 L364 H367R345-F358 CarbonylContact C-O 3.35Å; R345-F358 VanDerWaalsContact C-O 3.27Å; R345-F358 VanDerWaalsContact CA-O 3.32Å; R345-F358 WeakPolarHBondContact CA-O 3.34Å; F347-F358 HydrophobicContact CB-CB 4.19Å; F347-F358 WeakPolarHBondContact CB-O 3.49Å; F347-F358 PolarHBondContact N-O 3.39Å; F347-F358 VanDerWaalsContact N-O 3.1Å; F347-F358 PolarHBondContact O-N 3.3Å; K356-F358 HydrophobicContact CB-CE2 3.8Å; K356-F358 HydrophobicContact CB-CZ 3.74Å; K356-F358 VanDerWaalsContact O-CE2 3.28Å; K356-F358 WeakPolarHBondContact O-CE2 3.41Å; F358-E363 HydrophobicContact CB-CB 4.13Å; F358-E363 HydrophobicContact CB-CG 4.3Å; F358-E363 HydrophobicContact CD1-CB 4.04Å; F358-E363 HydrophobicContact CD1-CG 3.31Å; F358-E363 HydrophobicContact CE1-CG 3.86Å; F358-E363 HydrophobicContact CG-CB 4.23Å; F358-E363 HydrophobicContact CG-CG 4Å; F358-L364 HydrophobicContact CD2-CB 3.96Å; F358-L364 HydrophobicContact CD2-CD1 3.97Å; F358-L364 HydrophobicContact CE2-CD1 4.14Å; F358-L364 HydrophobicContact CG-CB 4.49Å; F358-H367 HydrophobicContact CE1-CB 4.27Å; F358-H367 HydrophobicContact CE2-CB 3.85Å; F358-H367 AromaticContact CE2-CD2 3.32Å; F358-H367 WeakPolarHBondContact CE2-CD2 3.47Å; F358-H367 AromaticContact CE2-CG 3.72Å; F358-H367 HydrophobicContact CZ-CB 3.54Å; F358-H367 AromaticContact CZ-CD2 3.46Å; F358-H367 VanDerWaalsContact CZ-CD2 3.46Å; F358-H367 WeakPolarHBondContact CZ-CD2 3.37Å; F358-H367 AromaticContact CZ-CG 3.42Å; F358-H367 VanDerWaalsContact CZ-CG 3.42Å
359T66.6Low71.6Confident35 Ų3577.6 Ų77.622%0.21538%0.376CS..SBendtrans-84.4-15.6178.155.40000112.9R339 R345R339-T359 HydrophobicContact CB-CG2 4.07Å; R339-T359 WeakPolarHBondContact CD-O 3.45Å; R339-T359 PolarHBondContact NH1-O 2.83Å; R345-T359 HydrophobicContact CG-CG2 3.99Å
360R71.6Confident71.5Confident106 Ų10680.7 Ų80.740%0.440%0.395SS..SBendtrans-133.5145.2-175.6-65.8174.554.1144.7-3.7112.1A336 F347 D362 E363 L364A336-R360 HydrophobicContact CB-CG 4.05Å; F347-R360 VanDerWaalsContact CE2-C 3.49Å; R360-D362 WeakPolarHBondContact CB-OD1 3.28Å; R360-D362 IonicContact CZ-OD1 3.46Å; R360-D362 VanDerWaalsContact CZ-OD1 3.23Å; R360-D362 IonicContact CZ-OD2 2.68Å; R360-D362 IonicContact NE-OD1 2.69Å; R360-D362 PolarHBondContact NE-OD1 3.41Å; R360-D362 IonicContact NE-OD2 2.72Å; R360-D362 VanDerWaalsContact NH2-CG 3.3Å; R360-D362 IonicContact NH2-OD1 3.61Å; R360-D362 PolarHBondContact NH2-OD1 3.27Å; R360-D362 IonicContact NH2-OD2 2.69Å; R360-D362 PolarHBondContact NH2-OD2 2.85Å; R360-E363 HydrophobicContact CB-CB 4.36Å; R360-E363 PolarHBondContact O-N 3.33Å; R360-L364 PolarHBondContact O-N 3.23Å
361S72.3Confident71.7Confident65 Ų6575.6 Ų75.646%0.45537%0.366SS..Hα-helixtrans-70.4-36.2179.548.80000113.2F347 E363 L364 Q365F347-S361 VanDerWaalsContact CE2-N 3.33Å; S361-E363 PolarHBondContact O-N 2.82Å; S361-L364 PolarHBondContact O-N 3.34Å; S361-Q365 WeakPolarHBondContact O-CB 3.49Å; S361-Q365 WeakPolarHBondContact O-CG 3.48Å; S361-Q365 PolarHBondContact O-N 3.37Å
362D75Confident71.7Confident53 Ų5374 Ų7428%0.28337%0.37SS..Hα-helixtrans-66.5-26.1177.369.7-78.1000112.8R360 R366R360-D362 WeakPolarHBondContact CB-OD1 3.28Å; R360-D362 IonicContact CZ-OD1 3.46Å; R360-D362 VanDerWaalsContact CZ-OD1 3.23Å; R360-D362 IonicContact CZ-OD2 2.68Å; R360-D362 IonicContact NE-OD1 2.69Å; R360-D362 PolarHBondContact NE-OD1 3.41Å; R360-D362 IonicContact NE-OD2 2.72Å; R360-D362 VanDerWaalsContact NH2-CG 3.3Å; R360-D362 IonicContact NH2-OD1 3.61Å; R360-D362 PolarHBondContact NH2-OD1 3.27Å; R360-D362 IonicContact NH2-OD2 2.69Å; R360-D362 PolarHBondContact NH2-OD2 2.85Å; D362-R366 WeakPolarHBondContact O-CB 3.5Å; D362-R366 PolarHBondContact O-N 3.12Å; D362-R366 VanDerWaalsContact O-N 3.08Å; D362-R366 IonicContact OD2-CZ 2.61Å; D362-R366 IonicContact OD2-NH2 2.67Å; D362-R366 PolarHBondContact OD2-NH2 3.16Å
363E75.9Confident72Confident71 Ų7168.8 Ų68.833%0.33235%0.354SS..Hα-helixtrans-73.2-48.3172.8-163.764.3-113.700111F358 R360 S361 Q365 R366 H367F358-E363 HydrophobicContact CB-CB 4.13Å; F358-E363 HydrophobicContact CB-CG 4.3Å; F358-E363 HydrophobicContact CD1-CB 4.04Å; F358-E363 HydrophobicContact CD1-CG 3.31Å; F358-E363 HydrophobicContact CE1-CG 3.86Å; F358-E363 HydrophobicContact CG-CB 4.23Å; F358-E363 HydrophobicContact CG-CG 4Å; R360-E363 HydrophobicContact CB-CB 4.36Å; R360-E363 PolarHBondContact O-N 3.33Å; S361-E363 PolarHBondContact O-N 2.82Å; E363-Q365 VanDerWaalsContact C-N 3.32Å; E363-Q365 PolarHBondContact O-N 2.92Å; E363-R366 WeakPolarHBondContact O-CB 3.36Å; E363-R366 PolarHBondContact O-N 2.82Å; E363-R366 IonicContact OE1-CZ 3.64Å; E363-R366 IonicContact OE1-NH1 3.78Å; E363-R366 PolarHBondContact OE1-NH1 3.28Å; E363-R366 IonicContact OE2-CZ 2.78Å; E363-R366 IonicContact OE2-NH1 3.53Å; E363-R366 PolarHBondContact OE2-NH1 3.36Å; E363-H367 WeakPolarHBondContact O-CB 3.39Å; E363-H367 PolarHBondContact O-N 3.36Å
364L77.9Confident72Confident22 Ų2263.8 Ų63.812%0.11533%0.333CS..Hα-helixtrans-57.9-44.9174173.961.5000111.4F347 V348 C349 F358 R360 S361 R366 H367 L368F347-L364 HydrophobicContact CB-CB 3.92Å; F347-L364 HydrophobicContact CB-CD2 3.79Å; F347-L364 HydrophobicContact CB-CG 4.45Å; V348-L364 WeakPolarHBondContact O-CD2 3.14Å; C349-L364 HydrophobicContact CB-CD1 4.07Å; F358-L364 HydrophobicContact CD2-CB 3.96Å; F358-L364 HydrophobicContact CD2-CD1 3.97Å; F358-L364 HydrophobicContact CE2-CD1 4.14Å; F358-L364 HydrophobicContact CG-CB 4.49Å; R360-L364 PolarHBondContact O-N 3.23Å; S361-L364 PolarHBondContact O-N 3.34Å; L364-R366 PolarHBondContact O-N 3.4Å; L364-H367 PolarHBondContact O-N 3.4Å; L364-L368 HydrophobicContact CD1-CD1 4.06Å; L364-L368 HydrophobicContact CD1-CD2 4.47Å; L364-L368 HydrophobicContact CD1-CG 3.97Å; L364-L368 HydrophobicContact CG-CD1 3.96Å; L364-L368 HydrophobicContact CG-CG 4.35Å; L364-L368 WeakPolarHBondContact O-CG 3.33Å; L364-L368 PolarHBondContact O-N 2.8Å
365Q75.4Confident71.8Confident113 Ų11368.1 Ų68.153%0.52835%0.349SS..Hα-helixtrans-69-17.4177.2-72.7-65.7-25.500113.7S361 E363 R369S361-Q365 WeakPolarHBondContact O-CB 3.49Å; S361-Q365 WeakPolarHBondContact O-CG 3.48Å; S361-Q365 PolarHBondContact O-N 3.37Å; E363-Q365 VanDerWaalsContact C-N 3.32Å; E363-Q365 PolarHBondContact O-N 2.92Å; Q365-R369 PolarHBondContact O-NE 3.17Å; Q365-R369 PolarHBondContact O-NH2 3.39Å; Q365-R369 VanDerWaalsContact O-NH2 3.12Å
366R76.7Confident72.3Confident55 Ų5572 Ų7221%0.20835%0.349CS..Hα-helixtrans-85-39169.6-168-176.7-53.7103.66.8111.1D362 E363 L364 R369 R388D362-R366 WeakPolarHBondContact O-CB 3.5Å; D362-R366 PolarHBondContact O-N 3.12Å; D362-R366 VanDerWaalsContact O-N 3.08Å; D362-R366 IonicContact OD2-CZ 2.61Å; D362-R366 IonicContact OD2-NH2 2.67Å; D362-R366 PolarHBondContact OD2-NH2 3.16Å; E363-R366 WeakPolarHBondContact O-CB 3.36Å; E363-R366 PolarHBondContact O-N 2.82Å; E363-R366 IonicContact OE1-CZ 3.64Å; E363-R366 IonicContact OE1-NH1 3.78Å; E363-R366 PolarHBondContact OE1-NH1 3.28Å; E363-R366 IonicContact OE2-CZ 2.78Å; E363-R366 IonicContact OE2-NH1 3.53Å; E363-R366 PolarHBondContact OE2-NH1 3.36Å; L364-R366 PolarHBondContact O-N 3.4Å; R366-R369 WeakPolarHBondContact O-CB 3.03Å; R366-R369 PolarHBondContact O-N 3.15Å; R366-R388 HydrophobicContact CG-CG 4.28Å
367H80.4Confident72.5Confident14 Ų1469.6 Ų69.67%0.06534%0.338CS..Hα-helixtrans-67.9-39.7176.3172.246.4000112.7C349 C354 F358 E363 L364 R369 T370 H371C349-H367 PolarHBondContact SG-NE2 3.03Å; C354-H367 PolarHBondContact SG-CE1 3.22Å; C354-H367 PolarHBondContact SG-NE2 2.92Å; F358-H367 HydrophobicContact CE1-CB 4.27Å; F358-H367 HydrophobicContact CE2-CB 3.85Å; F358-H367 AromaticContact CE2-CD2 3.32Å; F358-H367 WeakPolarHBondContact CE2-CD2 3.47Å; F358-H367 AromaticContact CE2-CG 3.72Å; F358-H367 HydrophobicContact CZ-CB 3.54Å; F358-H367 AromaticContact CZ-CD2 3.46Å; F358-H367 VanDerWaalsContact CZ-CD2 3.46Å; F358-H367 WeakPolarHBondContact CZ-CD2 3.37Å; F358-H367 AromaticContact CZ-CG 3.42Å; F358-H367 VanDerWaalsContact CZ-CG 3.42Å; E363-H367 WeakPolarHBondContact O-CB 3.39Å; E363-H367 PolarHBondContact O-N 3.36Å; L364-H367 PolarHBondContact O-N 3.4Å; H367-R369 PolarHBondContact O-N 3.11Å; H367-R369 VanDerWaalsContact O-N 3.12Å; H367-T370 PolarHBondContact ND1-OG1 3.04Å; H367-T370 WeakPolarHBondContact O-CB 3.11Å; H367-T370 WeakPolarHBondContact O-CG2 3.45Å; H367-T370 PolarHBondContact O-N 3.35Å; H367-T370 PolarHBondContact O-OG1 3.24Å; H367-H371 AromaticContact CE1-CD2 3.99Å; H367-H371 AromaticContact CE1-CE1 3.78Å; H367-H371 AromaticContact CE1-NE2 3.22Å; H367-H371 PolarHBondContact CE1-NE2 3.4Å; H367-H371 AromaticContact NE2-CD2 3.93Å; H367-H371 AromaticContact NE2-NE2 3.12Å; H367-H371 PolarHBondContact NE2-NE2 2.97Å; H367-H371 VanDerWaalsContact NE2-NE2 3.12Å
368L75.3Confident72.8Confident54 Ų5465 Ų6528%0.28333%0.332SS..Hα-helixtrans-58.6-28.4176.7-73.4166.3000112.7L364 T370 H371 T372L364-L368 HydrophobicContact CD1-CD1 4.06Å; L364-L368 HydrophobicContact CD1-CD2 4.47Å; L364-L368 HydrophobicContact CD1-CG 3.97Å; L364-L368 HydrophobicContact CG-CD1 3.96Å; L364-L368 HydrophobicContact CG-CG 4.35Å; L364-L368 WeakPolarHBondContact O-CG 3.33Å; L364-L368 PolarHBondContact O-N 2.8Å; L368-T370 VanDerWaalsContact C-N 3.26Å; L368-T370 PolarHBondContact O-N 2.85Å; L368-H371 PolarHBondContact O-N 3.09Å; L368-T372 PolarHBondContact O-N 3.44Å
369R75Confident73.2Confident49 Ų4963.6 Ų63.619%0.18533%0.325CS..Hα-helixtrans-67.7-20.9172.4-73.3172.3-100.9172.6-7.7114.1Q365 R366 H367 H371 T372 G373 E374 M387Q365-R369 PolarHBondContact O-NE 3.17Å; Q365-R369 PolarHBondContact O-NH2 3.39Å; Q365-R369 VanDerWaalsContact O-NH2 3.12Å; R366-R369 WeakPolarHBondContact O-CB 3.03Å; R366-R369 PolarHBondContact O-N 3.15Å; H367-R369 PolarHBondContact O-N 3.11Å; H367-R369 VanDerWaalsContact O-N 3.12Å; R369-H371 VanDerWaalsContact C-N 3.29Å; R369-T372 PolarHBondContact O-OG1 3.46Å; R369-G373 PolarHBondContact O-N 2.98Å; R369-E374 PolarHBondContact O-N 3.18Å; R369-M387 HydrophobicContact CB-CG 4.02Å; R369-M387 HydrophobicContact CB-SD 3.9Å
370T72.6Confident73.9Confident70 Ų7067 Ų6743%0.42935%0.348SS..Hα-helixtrans-70.2-30.9174.4740000111H367 L368 M387H367-T370 PolarHBondContact ND1-OG1 3.04Å; H367-T370 WeakPolarHBondContact O-CB 3.11Å; H367-T370 WeakPolarHBondContact O-CG2 3.45Å; H367-T370 PolarHBondContact O-N 3.35Å; H367-T370 PolarHBondContact O-OG1 3.24Å; L368-T370 VanDerWaalsContact C-N 3.26Å; L368-T370 PolarHBondContact O-N 2.85Å; T370-M387 HydrophobicContact CG2-CE 3.77Å; T370-M387 HydrophobicContact CG2-SD 4.01Å
371H71.4Confident74.3Confident52 Ų5266.2 Ų66.224%0.24136%0.355CS..Hα-helixtrans-76.5-34.5175.1-60.8-55.1000112.6C349 W351 C354 H367 L368 R369C349-H371 PolarHBondContact SG-NE2 2.87Å; W351-H371 HydrophobicContact CD2-CB 3.97Å; W351-H371 AromaticContact CD2-CG 3.78Å; W351-H371 HydrophobicContact CE3-CB 3.66Å; W351-H371 AromaticContact CE3-CG 3.89Å; W351-H371 AromaticContact CG-CE1 3.93Å; W351-H371 AromaticContact CG-ND1 3.99Å; W351-H371 AromaticContact CG-NE2 3.98Å; W351-H371 HydrophobicContact CH2-CB 4.14Å; W351-H371 HydrophobicContact CZ2-CB 4.42Å; W351-H371 HydrophobicContact CZ3-CB 3.75Å; C354-H371 PolarHBondContact SG-CE1 3.43Å; C354-H371 PolarHBondContact SG-NE2 2.89Å; C354-H371 VanDerWaalsContact SG-NE2 3.43Å; H367-H371 AromaticContact CE1-CD2 3.99Å; H367-H371 AromaticContact CE1-CE1 3.78Å; H367-H371 AromaticContact CE1-NE2 3.22Å; H367-H371 PolarHBondContact CE1-NE2 3.4Å; H367-H371 AromaticContact NE2-CD2 3.93Å; H367-H371 AromaticContact NE2-NE2 3.12Å; H367-H371 PolarHBondContact NE2-NE2 2.97Å; H367-H371 VanDerWaalsContact NE2-NE2 3.12Å; L368-H371 PolarHBondContact O-N 3.09Å; R369-H371 VanDerWaalsContact C-N 3.29Å
372T68.7Low74.9Confident92 Ų9265.2 Ų65.256%0.56435%0.348SS*.Hα-helixtrans-86.5-5.9177.564.70000114.2L368 R369 E374L368-T372 PolarHBondContact O-N 3.44Å; R369-T372 PolarHBondContact O-OG1 3.46Å; T372-E374 PolarHBondContact O-N 2.79Å; T372-E374 VanDerWaalsContact O-N 3.11Å
373G63.5Low75.2Confident47 Ų4768.6 Ų68.649%0.48537%0.365SS..THydrogen-bonded Turntrans64.511.218000000115.4R369 K375R369-G373 PolarHBondContact O-N 2.98Å; G373-K375 PolarHBondContact O-N 3.31Å
374E61.2Low75.3Confident77 Ų7771.1 Ų71.136%0.3638%0.375SS..  trans-7796.1-161.1-159.9-161.7152.300113.5R369 T372 R376R369-E374 PolarHBondContact O-N 3.18Å; T372-E374 PolarHBondContact O-N 2.79Å; T372-E374 VanDerWaalsContact O-N 3.11Å; E374-R376 HydrophobicContact CG-CG 4.07Å; E374-R376 PolarHBondContact O-N 2.61Å; E374-R376 WeakPolarHBondContact OE1-CD 3.32Å; E374-R376 WeakPolarHBondContact OE1-CG 3.4Å; E374-R376 IonicContact OE1-CZ 3.12Å; E374-R376 IonicContact OE1-NE 2.84Å; E374-R376 IonicContact OE1-NH1 3.45Å; E374-R376 PolarHBondContact OE1-NH1 2.98Å; E374-R376 IonicContact OE2-CZ 3.41Å; E374-R376 IonicContact OE2-NH1 3.54Å; E374-R376 PolarHBondContact OE2-NH1 3.1Å
375K68Low75.4Confident116 Ų11677.8 Ų77.850%0.50440%0.399SS..  trans-85.982.7178.2-65.6171179175.40111.6G373 R385 F386 M387G373-K375 PolarHBondContact O-N 3.31Å; K375-R385 HydrophobicContact CB-CB 3.71Å; K375-R385 HydrophobicContact CD-CB 4.49Å; K375-R385 PolarHBondContact O-NE 3.31Å; K375-R385 PolarHBondContact O-NH2 3.22Å; K375-F386 CarbonylContact C-O 3.55Å; K375-F386 WeakPolarHBondContact CA-O 3.28Å; K375-M387 HydrophobicContact CG-CB 4.48Å
376R72.4Confident75.5Confident132 Ų13274.6 Ų74.650%0.49838%0.383SS..  trans-73.3-24.8-179.2-72.9-161.2-87.1-1073.9116E374 F386E374-R376 HydrophobicContact CG-CG 4.07Å; E374-R376 PolarHBondContact O-N 2.61Å; E374-R376 WeakPolarHBondContact OE1-CD 3.32Å; E374-R376 WeakPolarHBondContact OE1-CG 3.4Å; E374-R376 IonicContact OE1-CZ 3.12Å; E374-R376 IonicContact OE1-NE 2.84Å; E374-R376 IonicContact OE1-NH1 3.45Å; E374-R376 PolarHBondContact OE1-NH1 2.98Å; E374-R376 IonicContact OE2-CZ 3.41Å; E374-R376 IonicContact OE2-NH1 3.54Å; E374-R376 PolarHBondContact OE2-NH1 3.1Å; R376-F386 PolarHBondContact N-O 3.33Å
377F73.5Confident75.5Confident63 Ų6374.6 Ų74.628%0.27639%0.386SS..EExtended strand (participates in β ladder)trans-102.398.8-168.1-61.7-76.7000111.9R385 F386 L392F377-R385 CarbonylContact O-C 3.58Å; F377-R385 WeakPolarHBondContact O-CA 3.32Å; F377-F386 HydrophobicContact CB-CB 4.25Å; F377-F386 WeakPolarHBondContact CB-O 3.48Å; F377-F386 PolarHBondContact N-O 2.74Å; F377-F386 PolarHBondContact O-N 3.22Å; F377-L392 HydrophobicContact CB-CB 4.22Å; F377-L392 HydrophobicContact CB-CD2 4.15Å
378A81Confident75.3Confident49 Ų4977.6 Ų77.641%0.40540%0.397SS..EExtended strand (participates in β ladder)trans-84.7142.7176.600000112.5R385 L392A378-R385 HydrophobicContact CB-CG 4.29Å; A378-L392 WeakPolarHBondContact O-CD1 3.41Å
379C83.4Confident75.5Confident0 Ų078.1 Ų78.10%041%0.405CS..  trans-76.7124.3169.5-173.70000110.8V381 N383 K384 F386 L392 H399C379-V381 PolarHBondContact O-N 3.48Å; C379-N383 WeakPolarHBondContact O-CA 3.46Å; C379-N383 PolarHBondContact O-N 3.32Å; C379-K384 PolarHBondContact N-O 3.12Å; C379-F386 HydrophobicContact CB-CE2 4.36Å; C379-L392 HydrophobicContact CB-CD1 4.03Å; C379-H399 PolarHBondContact SG-NE2 2.78Å
380P80.2Confident75.9Confident106 Ų10678.3 Ų78.369%0.68841%0.41SS*.THydrogen-bonded Turntrans-67.5-17.7-179.827.8-35.2000113.6
381V81.6Confident76.4Confident90 Ų9078.9 Ų78.955%0.54541%0.407SS..THydrogen-bonded Turntrans-90-35.2-177.1-173.30000112.6C379 H399C379-V381 PolarHBondContact O-N 3.48Å; V381-H399 HydrophobicContact CB-CB 4.35Å; V381-H399 HydrophobicContact CG1-CB 4.06Å; V381-H399 HydrophobicContact CG2-CB 4.22Å
382C84.7Confident77.1Confident45 Ų4577.8 Ų77.830%0.30440%0.404SS..THydrogen-bonded Turntrans-138.211.2-173.271.50000114.6K384 H395 H399C382-K384 PolarHBondContact O-N 3.22Å; C382-K384 VanDerWaalsContact SG-CG 3.59Å; C382-H395 PolarHBondContact SG-NE2 3.43Å; C382-H399 VanDerWaalsContact SG-CE1 3.58Å; C382-H399 PolarHBondContact SG-NE2 3.18Å; C382-H399 VanDerWaalsContact SG-NE2 3.36Å
383N80.2Confident77.8Confident123 Ų12376.6 Ų76.666%0.65840%0.399SS*.  trans54.67.9179.1-68.9-57.5000117C379 R385C379-N383 WeakPolarHBondContact O-CA 3.46Å; C379-N383 PolarHBondContact O-N 3.32Å; N383-R385 PolarHBondContact O-N 3.43Å
384K78.6Confident78.9Confident125 Ų12580.3 Ų80.354%0.54340%0.402SS..  trans-58.7126.2173-70.6179.8-167.9-70.40110.1C379 C382 F386C379-K384 PolarHBondContact N-O 3.12Å; C382-K384 PolarHBondContact O-N 3.22Å; C382-K384 VanDerWaalsContact SG-CG 3.59Å; K384-F386 HydrophobicContact CB-CE2 3.84Å; K384-F386 HydrophobicContact CB-CZ 4.1Å; K384-F386 WeakPolarHBondContact O-CD2 3.49Å; K384-F386 VanDerWaalsContact O-CE2 3.26Å; K384-F386 WeakPolarHBondContact O-CE2 3.34Å
385R79.2Confident80.1Confident161 Ų16178.1 Ų78.161%0.60839%0.391SS*.EExtended strand (participates in β ladder)trans-96.3132.3-177-58.7177.965.1162.61.8111.5K375 F377 A378 N383K375-R385 HydrophobicContact CB-CB 3.71Å; K375-R385 HydrophobicContact CD-CB 4.49Å; K375-R385 PolarHBondContact O-NE 3.31Å; K375-R385 PolarHBondContact O-NH2 3.22Å; F377-R385 CarbonylContact O-C 3.58Å; F377-R385 WeakPolarHBondContact O-CA 3.32Å; A378-R385 HydrophobicContact CB-CG 4.29Å; N383-R385 PolarHBondContact O-N 3.43Å
386F79.1Confident80.8Confident46 Ų4674.8 Ų74.820%0.20238%0.38CS..EExtended strand (participates in β ladder)trans-118.5149.9-179.5-60.2-90.7000110.7K375 R376 F377 C379 K384 R388 H391 L392 H395K375-F386 CarbonylContact C-O 3.55Å; K375-F386 WeakPolarHBondContact CA-O 3.28Å; R376-F386 PolarHBondContact N-O 3.33Å; F377-F386 HydrophobicContact CB-CB 4.25Å; F377-F386 WeakPolarHBondContact CB-O 3.48Å; F377-F386 PolarHBondContact N-O 2.74Å; F377-F386 PolarHBondContact O-N 3.22Å; C379-F386 HydrophobicContact CB-CE2 4.36Å; K384-F386 HydrophobicContact CB-CE2 3.84Å; K384-F386 HydrophobicContact CB-CZ 4.1Å; K384-F386 WeakPolarHBondContact O-CD2 3.49Å; K384-F386 VanDerWaalsContact O-CE2 3.26Å; K384-F386 WeakPolarHBondContact O-CE2 3.34Å; F386-R388 VanDerWaalsContact C-N 3.33Å; F386-H391 HydrophobicContact CD1-CB 3.96Å; F386-L392 HydrophobicContact CD2-CB 4.28Å; F386-L392 HydrophobicContact CD2-CD1 3.79Å; F386-L392 HydrophobicContact CE2-CD1 4.2Å; F386-H395 HydrophobicContact CE1-CB 4.17Å; F386-H395 HydrophobicContact CE2-CB 4.09Å; F386-H395 AromaticContact CE2-CD2 3.35Å; F386-H395 WeakPolarHBondContact CE2-CD2 3.37Å; F386-H395 AromaticContact CE2-CG 3.86Å; F386-H395 HydrophobicContact CZ-CB 3.62Å; F386-H395 AromaticContact CZ-CD2 3.33Å; F386-H395 WeakPolarHBondContact CZ-CD2 3.46Å; F386-H395 AromaticContact CZ-CG 3.4Å
387M75.1Confident81.4Confident55 Ų5575.3 Ų75.327%0.27139%0.386SS..SBendtrans-82.6-13.6174.7-177.8165.446.600112.8R369 T370 K375R369-M387 HydrophobicContact CB-CG 4.02Å; R369-M387 HydrophobicContact CB-SD 3.9Å; T370-M387 HydrophobicContact CG2-CE 3.77Å; T370-M387 HydrophobicContact CG2-SD 4.01Å; K375-M387 HydrophobicContact CG-CB 4.48Å
388R76.6Confident81.8Confident78 Ų7876.6 Ų76.629%0.29440%0.399SS..  trans-134.6139.9-175.7-67.2170.651.7164.8-3111.8R366 F386 D390 H391 L392R366-R388 HydrophobicContact CG-CG 4.28Å; F386-R388 VanDerWaalsContact C-N 3.33Å; R388-D390 WeakPolarHBondContact CB-OD1 3.21Å; R388-D390 IonicContact CZ-OD1 3.85Å; R388-D390 IonicContact CZ-OD2 3.91Å; R388-D390 IonicContact NE-OD1 3.91Å; R388-D390 PolarHBondContact NE-OD1 3.09Å; R388-D390 IonicContact NE-OD2 2.78Å; R388-D390 VanDerWaalsContact NH2-CG 3.3Å; R388-D390 IonicContact NH2-OD1 4Å; R388-D390 PolarHBondContact NH2-OD1 3.23Å; R388-D390 VanDerWaalsContact NH2-OD1 3.12Å; R388-D390 IonicContact NH2-OD2 3.23Å; R388-D390 PolarHBondContact NH2-OD2 3.46Å; R388-H391 HydrophobicContact CB-CB 4.33Å; R388-H391 PolarHBondContact O-N 2.69Å; R388-L392 PolarHBondContact O-N 2.76Å
389S80.3Confident81.7Confident64 Ų6476.9 Ų76.945%0.44839%0.392SS..Hα-helixtrans-68.9-33.717750.30000113.2H391 L392 S393S389-H391 VanDerWaalsContact C-N 3.33Å; S389-H391 PolarHBondContact O-N 3.44Å; S389-L392 WeakPolarHBondContact O-CB 3.47Å; S389-L392 PolarHBondContact O-N 3.02Å; S389-S393 PolarHBondContact O-N 3.41Å; S389-S393 PolarHBondContact O-OG 3.33Å; S389-S393 VanDerWaalsContact O-OG 3.06Å
390D82.5Confident81.1Confident53 Ų5381.8 Ų81.828%0.28343%0.426SS..Hα-helixtrans-69.7-31.1177.970.5-65.9000112.7R388 K394R388-D390 WeakPolarHBondContact CB-OD1 3.21Å; R388-D390 IonicContact CZ-OD1 3.85Å; R388-D390 IonicContact CZ-OD2 3.91Å; R388-D390 IonicContact NE-OD1 3.91Å; R388-D390 PolarHBondContact NE-OD1 3.09Å; R388-D390 IonicContact NE-OD2 2.78Å; R388-D390 VanDerWaalsContact NH2-CG 3.3Å; R388-D390 IonicContact NH2-OD1 4Å; R388-D390 PolarHBondContact NH2-OD1 3.23Å; R388-D390 VanDerWaalsContact NH2-OD1 3.12Å; R388-D390 IonicContact NH2-OD2 3.23Å; R388-D390 PolarHBondContact NH2-OD2 3.46Å; D390-K394 VanDerWaalsContact O-CG 3.32Å; D390-K394 WeakPolarHBondContact O-CG 3.12Å; D390-K394 PolarHBondContact O-N 3.36Å; D390-K394 VanDerWaalsContact O-N 3.07Å
391H83.6Confident80.3Confident82 Ų8281.2 Ų81.238%0.3843%0.431SS..Hα-helixtrans-69.2-43170.1-65.4-27.5000111.5F386 R388 S389 S393 K394 H395F386-H391 HydrophobicContact CD1-CB 3.96Å; R388-H391 HydrophobicContact CB-CB 4.33Å; R388-H391 PolarHBondContact O-N 2.69Å; S389-H391 VanDerWaalsContact C-N 3.33Å; S389-H391 PolarHBondContact O-N 3.44Å; H391-S393 PolarHBondContact O-N 2.85Å; H391-K394 PolarHBondContact O-N 2.82Å; H391-H395 WeakPolarHBondContact O-CB 3.18Å; H391-H395 PolarHBondContact O-N 2.94Å
392L85.8Confident79.1Confident30 Ų3079.1 Ų79.116%0.15743%0.427CS..Hα-helixtrans-55.5-50.8170.5179.277.2000111F377 A378 C379 F386 R388 S389 K394 H395 V396F377-L392 HydrophobicContact CB-CB 4.22Å; F377-L392 HydrophobicContact CB-CD2 4.15Å; A378-L392 WeakPolarHBondContact O-CD1 3.41Å; C379-L392 HydrophobicContact CB-CD1 4.03Å; F386-L392 HydrophobicContact CD2-CB 4.28Å; F386-L392 HydrophobicContact CD2-CD1 3.79Å; F386-L392 HydrophobicContact CE2-CD1 4.2Å; R388-L392 PolarHBondContact O-N 2.76Å; S389-L392 WeakPolarHBondContact O-CB 3.47Å; S389-L392 PolarHBondContact O-N 3.02Å; L392-K394 VanDerWaalsContact C-N 3.28Å; L392-K394 PolarHBondContact O-N 3.31Å; L392-H395 CarbonylContact O-C 3.59Å; L392-H395 PolarHBondContact O-N 2.92Å; L392-H395 VanDerWaalsContact O-N 3.08Å; L392-V396 HydrophobicContact CD1-CG2 4.24Å; L392-V396 HydrophobicContact CG-CG2 4.21Å; L392-V396 WeakPolarHBondContact O-CG2 3.49Å; L392-V396 PolarHBondContact O-N 3.4Å
393S84.3Confident77.7Confident66 Ų6680.2 Ų80.246%0.46245%0.446SS..Hα-helixtrans-64.9-28.3-178.3-58.90000113.7S389 H391 K397S389-S393 PolarHBondContact O-N 3.41Å; S389-S393 PolarHBondContact O-OG 3.33Å; S389-S393 VanDerWaalsContact O-OG 3.06Å; H391-S393 PolarHBondContact O-N 2.85Å; S393-K397 WeakPolarHBondContact O-CD 3.27Å; S393-K397 WeakPolarHBondContact O-CE 3.48Å; S393-K397 WeakPolarHBondContact O-CG 3.49Å
394K85.3Confident76.4Confident126 Ų12680.5 Ų80.555%0.54846%0.458SS..Hα-helixtrans-72.3-43169.9-74.2168.8180174.10111.3D390 H391 L392 K397D390-K394 VanDerWaalsContact O-CG 3.32Å; D390-K394 WeakPolarHBondContact O-CG 3.12Å; D390-K394 PolarHBondContact O-N 3.36Å; D390-K394 VanDerWaalsContact O-N 3.07Å; H391-K394 PolarHBondContact O-N 2.82Å; L392-K394 VanDerWaalsContact C-N 3.28Å; L392-K394 PolarHBondContact O-N 3.31Å; K394-K397 WeakPolarHBondContact O-CB 3.13Å; K394-K397 PolarHBondContact O-N 3.16Å
395H86.2Confident74.8Confident31 Ų3179.3 Ų79.314%0.14447%0.471CS..Hα-helixtrans-69.2-38179.517755.9000113.5C382 F386 H391 L392 K397 T398 H399C382-H395 PolarHBondContact SG-NE2 3.43Å; F386-H395 HydrophobicContact CE1-CB 4.17Å; F386-H395 HydrophobicContact CE2-CB 4.09Å; F386-H395 AromaticContact CE2-CD2 3.35Å; F386-H395 WeakPolarHBondContact CE2-CD2 3.37Å; F386-H395 AromaticContact CE2-CG 3.86Å; F386-H395 HydrophobicContact CZ-CB 3.62Å; F386-H395 AromaticContact CZ-CD2 3.33Å; F386-H395 WeakPolarHBondContact CZ-CD2 3.46Å; F386-H395 AromaticContact CZ-CG 3.4Å; H391-H395 WeakPolarHBondContact O-CB 3.18Å; H391-H395 PolarHBondContact O-N 2.94Å; L392-H395 CarbonylContact O-C 3.59Å; L392-H395 PolarHBondContact O-N 2.92Å; L392-H395 VanDerWaalsContact O-N 3.08Å; H395-K397 PolarHBondContact O-N 2.84Å; H395-T398 PolarHBondContact ND1-OG1 2.81Å; H395-T398 PolarHBondContact O-N 3.27Å; H395-T398 PolarHBondContact O-OG1 3.27Å; H395-H399 AromaticContact CD2-NE2 3.82Å; H395-H399 AromaticContact CE1-CE1 3.91Å; H395-H399 AromaticContact CE1-NE2 3.27Å; H395-H399 PolarHBondContact CE1-NE2 2.86Å; H395-H399 VanDerWaalsContact CE1-NE2 3.27Å; H395-H399 AromaticContact NE2-CD2 3.94Å; H395-H399 AromaticContact NE2-CE1 3.92Å; H395-H399 AromaticContact NE2-NE2 3.02Å; H395-H399 PolarHBondContact NE2-NE2 3.1Å; H395-H399 PolarHBondContact O-CD2 2.88Å
396V83.7Confident73.1Confident45 Ų4575.3 Ų75.327%0.27348%0.48SS..Hα-helixtrans-59.1-35.9175.9170.90000111L392 T398 H399 S400L392-V396 HydrophobicContact CD1-CG2 4.24Å; L392-V396 HydrophobicContact CG-CG2 4.21Å; L392-V396 WeakPolarHBondContact O-CG2 3.49Å; L392-V396 PolarHBondContact O-N 3.4Å; V396-T398 VanDerWaalsContact C-N 3.27Å; V396-T398 PolarHBondContact O-N 2.96Å; V396-H399 WeakPolarHBondContact O-CB 3.44Å; V396-H399 PolarHBondContact O-N 3.17Å; V396-H399 VanDerWaalsContact O-N 3.16Å; V396-S400 PolarHBondContact O-N 3.41Å; V396-S400 PolarHBondContact O-OG 3.45Å
397K85Confident72.1Confident144 Ų14479.8 Ų79.863%0.62652%0.517SS*.Hα-helixtrans-66.2-23.3175.8-64.9169.3-174.9-173.60113.9S393 K394 H395 H399 S400 A401S393-K397 WeakPolarHBondContact O-CD 3.27Å; S393-K397 WeakPolarHBondContact O-CE 3.48Å; S393-K397 WeakPolarHBondContact O-CG 3.49Å; K394-K397 WeakPolarHBondContact O-CB 3.13Å; K394-K397 PolarHBondContact O-N 3.16Å; H395-K397 PolarHBondContact O-N 2.84Å; K397-H399 VanDerWaalsContact C-N 3.3Å; K397-S400 PolarHBondContact O-N 2.73Å; K397-A401 PolarHBondContact O-N 3.07Å
398T81.4Confident70.6Confident89 Ų8980.6 Ų80.655%0.54654%0.539SS..Hα-helixtrans-72.7-25.5175.166.70000112.1H395 V396H395-T398 PolarHBondContact ND1-OG1 2.81Å; H395-T398 PolarHBondContact O-N 3.27Å; H395-T398 PolarHBondContact O-OG1 3.27Å; V396-T398 VanDerWaalsContact C-N 3.27Å; V396-T398 PolarHBondContact O-N 2.96Å
399H78.5Confident69.2Low56 Ų5682.8 Ų82.826%0.25957%0.567SS.*Hα-helixtrans-75.4-33170.6-60.7-68.7000112.1C379 V381 C382 H395 V396 K397 A401C379-H399 PolarHBondContact SG-NE2 2.78Å; V381-H399 HydrophobicContact CB-CB 4.35Å; V381-H399 HydrophobicContact CG1-CB 4.06Å; V381-H399 HydrophobicContact CG2-CB 4.22Å; C382-H399 VanDerWaalsContact SG-CE1 3.58Å; C382-H399 PolarHBondContact SG-NE2 3.18Å; C382-H399 VanDerWaalsContact SG-NE2 3.36Å; H395-H399 AromaticContact CD2-NE2 3.82Å; H395-H399 AromaticContact CE1-CE1 3.91Å; H395-H399 AromaticContact CE1-NE2 3.27Å; H395-H399 PolarHBondContact CE1-NE2 2.86Å; H395-H399 VanDerWaalsContact CE1-NE2 3.27Å; H395-H399 AromaticContact NE2-CD2 3.94Å; H395-H399 AromaticContact NE2-CE1 3.92Å; H395-H399 AromaticContact NE2-NE2 3.02Å; H395-H399 PolarHBondContact NE2-NE2 3.1Å; H395-H399 PolarHBondContact O-CD2 2.88Å; V396-H399 WeakPolarHBondContact O-CB 3.44Å; V396-H399 PolarHBondContact O-N 3.17Å; V396-H399 VanDerWaalsContact O-N 3.16Å; K397-H399 VanDerWaalsContact C-N 3.3Å; H399-A401 VanDerWaalsContact C-N 3.33Å; H399-A401 PolarHBondContact O-N 3.48Å
400S71.6Confident67.7Low102 Ų10283.9 Ų83.971%0.71359%0.588SS**Hα-helixtrans-73.9-21178.4-49.60000114.2V396 K397V396-S400 PolarHBondContact O-N 3.41Å; V396-S400 PolarHBondContact O-OG 3.45Å; K397-S400 PolarHBondContact O-N 2.73Å
401A62.3Low65.4Low95 Ų9585.1 Ų85.179%0.78561%0.613SS**THydrogen-bonded Turntrans-97.7-6.3-178.400000114K397 H399K397-A401 PolarHBondContact O-N 3.07Å; H399-A401 VanDerWaalsContact C-N 3.33Å; H399-A401 PolarHBondContact O-N 3.48Å
402G56.9Low64Low45 Ų4587.5 Ų87.546%0.46464%0.639SS.*SBendtrans-143.288.3-179.900000110.2
403G55.8Low61.8Low68 Ų6889.8 Ų89.870%0.70167%0.67SS**  trans-60.2144.2168.800000110.9
404S51.9Low59.7Low129 Ų12990.1 Ų90.190%0.90268%0.683SS**  trans51.492.6176.662.50000117.2
405A45.2Very low57.5Low101 Ų10194 Ų9484%0.83570%0.701SS**  trans-137.6117.4136.900000107.3
406G45.1Very low55.2Low76 Ų76104.8 Ų104.878%0.78474%0.74SS**  trans-70.5173.6-168.300000114.5G408G406-G408 PolarHBondContact O-N 3.5Å; G406-G408 VanDerWaalsContact O-N 3.1Å
407S57Low53Low141 Ų141105.8 Ų105.899%0.98676%0.759SS**  trans-48.9114171.9-57.80000111.5
408G42.8Very low51Low71 Ų71104.7 Ų104.773%0.73277%0.769SS**  trans-150.5130.4179.100000110.4G406G406-G408 PolarHBondContact O-N 3.5Å; G406-G408 VanDerWaalsContact O-N 3.1Å
409S47.3Very low48.7Very low125 Ų125107.8 Ų107.887%0.87478%0.783SS**  trans-57.5157.3-176.8-48.70000114
410G48.8Very low46.8Very low86 Ų86111.5 Ų111.589%0.88781%0.81SS**  trans38.496.4150.500000118.6
411G35.9Very low44.9Very low79 Ų79113.3 Ų113.381%0.81481%0.811SS**  trans-152.581.6174.800000112.3G413G411-G413 PolarHBondContact O-N 3.19Å
412S52.4Low43.7Very low132 Ų132113 Ų11392%0.92380%0.803SS**  trans-72.6110.4169.6470000110.5
413G40.9Very low42.4Very low78 Ų78119.5 Ų119.580%0.80482%0.821SS**  trans179118.7172.200000113.1G411G411-G413 PolarHBondContact O-N 3.19Å
414G40Very low41.5Very low73 Ų73124.3 Ų124.375%0.75383%0.825SS**  trans156.265.8172.100000118.4
415K38.2Very low40.5Very low209 Ų209123.7 Ų123.791%0.90982%0.821SS**  trans65.2114151.4-62.7175.6178.1177.40118.2
416R39.1Very low40.1Very low257 Ų257123.4 Ų123.497%0.9782%0.819SS**  trans-54.3134.7174.5-65.1-179.3-76-104.54.7112.5
417G37.8Very low39.7Very low65 Ų65125.8 Ų125.867%0.6782%0.821SS**  trans-135.362.9171.600000111.8D419G417-D419 PolarHBondContact O-N 3.11Å; G417-D419 VanDerWaalsContact O-N 3.17Å
418S42.7Very low38.4Very low121 Ų121122.7 Ų122.785%0.84681%0.81SS**  trans45.346.7163.2-51.30000118.5
419D32.1Very low37.9Very low155 Ų155124.8 Ų124.883%0.82981%0.814SS**  trans-89.3108.8152.8-73.7-54.9000107.6G417 D421G417-D419 PolarHBondContact O-N 3.11Å; G417-D419 VanDerWaalsContact O-N 3.17Å; D419-D421 VanDerWaalsContact C-N 3.27Å; D419-D421 PolarHBondContact O-N 3.25Å
420T39.1Very low37.5Very low134 Ų134124.2 Ų124.282%0.82281%0.807SS**  trans-76.482.4173.853.40000109.2
421D30.9Very low36.9Very low139 Ų139125.5 Ų125.574%0.74380%0.8SS**  trans-82.2121.7160-148.8-65.1000108.2D419D419-D421 VanDerWaalsContact C-N 3.27Å; D419-D421 PolarHBondContact O-N 3.25Å
422S37.7Very low36.6Very low88 Ų88127.9 Ų127.962%0.61580%0.803SS**  trans-115.472.7-179.2-66.80000108.6H424S422-H424 PolarHBondContact O-N 3.39Å; S422-H424 VanDerWaalsContact O-N 3.07Å
423E29.9Very low35.6Very low182 Ų182129.9 Ų129.985%0.8580%0.797SS**  trans-60.7107.9158.3-60.4-143110.200108.1
424H36.4Very low35.2Very low169 Ų169131.5 Ų131.578%0.78280%0.796SS**  trans-104.8118.2162.8-84.769.9000107.9S422S422-H424 PolarHBondContact O-N 3.39Å; S422-H424 VanDerWaalsContact O-N 3.07Å
425S32Very low35.2Very low116 Ų116134.2 Ų134.281%0.81180%0.8SS**PPolyproline II helixtrans-51.6150.9168.3-50.70000111.3
426A35.9Very low34.8Very low96 Ų96131.3 Ų131.379%0.79380%0.795SS**PPolyproline II helixtrans-55.5128.5179.500000112.4
427P36.2Very low34.6Very low126 Ų126126.5 Ų126.582%0.81879%0.788SS**PPolyproline II helixtrans-73.2134.4155.531.2-30.1000108.6
428G29.7Very low34.2Very low75 Ų75130.4 Ų130.477%0.77379%0.793SS**PPolyproline II helixtrans-64.8144.8-173.700000113.9
429S32.8Very low33.7Very low116 Ų116132.4 Ų132.481%0.81179%0.788SS**PPolyproline II helixtrans-62.5132.8170.6-47.80000110.9
430P40.1Very low34.1Very low112 Ų112130.4 Ų130.473%0.72778%0.784SS**PPolyproline II helixtrans-70.3144.3161.830.8-32.6000109.5C432P430-C432 PolarHBondContact O-N 3.15Å
431P35.5Very low34.1Very low113 Ų113129.9 Ų129.973%0.73478%0.782SS**PPolyproline II helixtrans-72.1124.3-178.828.7-33.7000111.2H433P431-H433 PolarHBondContact O-N 3.28Å; P431-H433 VanDerWaalsContact O-N 3.15Å
432C28.8Very low34.1Very low130 Ų130132.3 Ų132.388%0.87879%0.789SS**  trans-78.789.8170.5510000110.4P430P430-C432 PolarHBondContact O-N 3.15Å
433H32.7Very low33.9Very low174 Ų174134 Ų13481%0.80680%0.801SS**PPolyproline II helixtrans-82121.7163.2-91-90.8000110P431P431-H433 PolarHBondContact O-N 3.28Å; P431-H433 VanDerWaalsContact O-N 3.15Å
434S32.3Very low34.2Very low111 Ų111130.9 Ų130.978%0.77680%0.795SS**PPolyproline II helixtrans-69.3144165.2-62.60000110.2
435P38.8Very low34.2Very low130 Ų130132.1 Ų132.184%0.84480%0.801SS**PPolyproline II helixtrans-82.1125.4174.832.4-31.4000110.3
436D31.2Very low34.3Very low148 Ų148130.4 Ų130.479%0.79180%0.802SS**  trans-115.9156.1165.7-139.3-56.4000110.2
437L34.3Very low34.6Very low157 Ų157132.6 Ų132.682%0.82281%0.805SS**  trans-52.8141.2-150.5-64.6155.9000118.5
438L29.8Very low34.5Very low147 Ų147130.2 Ų130.277%0.7780%0.803SS**  trans-59.6132.8152.3-66.6160000108.4
439H32.2Very low35Very low163 Ų163134.5 Ų134.576%0.75581%0.805SS**  156.4172.576.6-109.5151.6000107.8
440P39.8Very low35.3Very low113 Ų113136.9 Ų136.973%0.73481%0.809SS**  cis-128.9-140.8-12.445.2-25.5000110.7
441P39.4Very low35.3Very low122 Ų122139 Ų13979%0.79285%0.85SS**  trans-120-173.9-136.325.52.6000115.9
442E30.2Very low35.2Very low190 Ų190140.3 Ų140.389%0.88886%0.856SS**  trans-43.7145.7-172.7-55.8-17994.100118.3
443S34Very low35.6Very low124 Ų124140.8 Ų140.887%0.86786%0.855SS**  trans-136.1134.7148.863.10000111.3
444T35.8Very low35.7Very low116 Ų116138.9 Ų138.971%0.71286%0.858SS**  trans-81.4151.3-170.6410000115
445Q36.4Very low35.9Very low195 Ų195140.6 Ų140.691%0.91186%0.863SS**  trans64.1135.3151.7-68.6176.2-6.700119.1
446G35.4Very low35.8Very low81 Ų81141.3 Ų141.384%0.83586%0.864SS**  trans171.396.8168.700000115.2
447V40.9Very low36.1Very low141 Ų141140.8 Ų140.886%0.85587%0.868SS**  trans-48.2145171.71760000114M449V447-M449 HydrophobicContact CG1-SD 4.19Å
448G35Very low36.2Very low76 Ų76139.6 Ų139.678%0.78487%0.872SS**  trans-171.5103.3164.800000113.7
449M40.7Very low36.7Very low165 Ų165139.1 Ų139.181%0.81388%0.88SS**  trans-80.3165172.9-79.588.977.700112.7V447V447-M449 HydrophobicContact CG1-SD 4.19Å
450N38.6Very low37.1Very low167 Ų167137.1 Ų137.189%0.89389%0.89SS**  trans-31.4146170.9-54.2-44.4000116.6
451G38.6Very low36.8Very low155 Ų155139.3 Ų139.3100%1.59890%0.904SS**  trans-175.40167.900000111

Retrieved 451 of 451 residues in 115.8 ms (Link to these results)