A0A096NLY2_PAPAN Loading...

CTD small phosphatase-like protein 2

Probable phosphatase.

AlphaFold DB , UniProt , Accession A0A096NLY2, Species PAPAN (Papio anubis, Olive baboon), Gene CTDSPL2, Length 466 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38Very low41.5Very low242 Ų242187.5 Ų187.5100%1.19290%0.899SS**  0127.80-163.4-179.4-16500108.1
2R44.9Very low41Very low236 Ų236180.7 Ų180.789%0.89189%0.886SS**  trans25.5109.1175.2-76.8-179.6168.4150.9-2.5119.2
3L37.3Very low40.4Very low165 Ų165178.5 Ų178.586%0.86488%0.88SS**  trans-56.8152.5148.6-94.269.6000110.4
4R51.3Low40Very low239 Ų239179.7 Ų179.790%0.90288%0.883SS**  trans-127.892.2164.8-86.6-178.2163.8170.3-3.8110
5T44.3Very low39.5Very low134 Ų134177.4 Ų177.482%0.82287%0.873SS**  trans-66.2146.215942.30000109.5
6R50Low39.2Very low249 Ų249178.4 Ų178.494%0.9488%0.875SS**  trans-114.3136.8164.6-84.5-173.7166.5-177.9-4.2109
7K43.4Very low38.8Very low208 Ų208175.1 Ų175.190%0.90487%0.868SS**  trans-90.2143.7-172.7-170.5-179.9177.1-1780109.8
8A35.8Very low38.7Very low93 Ų93176.2 Ų176.277%0.76987%0.87SS**  trans-66.8156.917200000111.7
9S39.3Very low38.4Very low123 Ų123178.9 Ų178.986%0.8687%0.87SS**  trans-114.4133.6168-167.30000109.4
10Q37.6Very low38.2Very low179 Ų179176.5 Ų176.584%0.83687%0.866SS**  trans-113.5127171.8-73.2178.3-3600108.6
11Q35.1Very low38Very low194 Ų194173.1 Ų173.191%0.90787%0.867SS**  trans166.2142.9155.9-96162.613.500107.4
12S34.5Very low37.9Very low106 Ų106173.2 Ų173.274%0.74185%0.854SS**  cis-156.6149.7-13.3430000109.1
13N33.5Very low37.5Very low152 Ų152166.7 Ų166.781%0.81385%0.85SS**  trans-75.8134.9172.5-77-14.5000110.5
14Q34.8Very low37.4Very low196 Ų196167.3 Ų167.392%0.91685%0.846SS**  trans-129.6128143.9-76.5-162.1-9.500109.7
15I32.6Very low36.5Very low145 Ų145167 Ų16774%0.74485%0.845SS**  trans-104.6131.4173.1-63.6168.1000106.1T17I15-T17 HydrophobicContact CG2-CG2 4.45Å
16Q35.5Very low36Very low194 Ų194170.6 Ų170.691%0.90785%0.849SS**  trans-137.696.8165.7-152.617142.300111.3
17T31.8Very low35.1Very low121 Ų121168.1 Ų168.174%0.74284%0.841SS**  trans-83.7129.6170.6400000110.4I15I15-T17 HydrophobicContact CG2-CG2 4.45Å
18Q37.4Very low34.5Very low195 Ų195163.8 Ų163.891%0.91184%0.837SS**  trans-136.3171151.8-77.3-151.2-0.700110.6
19R33.1Very low34.5Very low229 Ų229166.9 Ų166.986%0.86484%0.835SS**  trans-129148.3-147.8-102.6-177.7170.3179.8-2.6113.8
20T33.7Very low34.3Very low129 Ų129168.3 Ų168.379%0.79184%0.838SS**  trans56.9125.4144.357.50000121.4
21A34.7Very low34.1Very low107 Ų107166.8 Ų166.888%0.88484%0.836SS**  trans-139.3153.6136.200000109.4
22R35.6Very low34Very low243 Ų243165 Ų16592%0.91783%0.833SS**  trans-153.9115.7-172.3-175.7-172.8-173-167.75.9112.6
23A37.1Very low33.7Very low99 Ų99163.7 Ų163.782%0.81884%0.836SS**  trans-138.4129.4163.800000107.9
24K33.7Very low33.7Very low178 Ų178164.4 Ų164.477%0.77484%0.839SS**  cis85.990.743-79.1-166.4171.3-179.70114.9
25R32.8Very low34.3Very low233 Ų233160.8 Ų160.888%0.87983%0.833SS**  trans55.9132.8139.4-58.3-178.7-179.3174.9-2.5119.7
26K33.3Very low34.2Very low210 Ų210159.5 Ų159.591%0.91384%0.836SS**  -148.5163.3107.1-116.3-178.1180-172.30112.2
27Y30.9Very low33.9Very low197 Ų197154 Ų15477%0.77383%0.832SS**  trans-112.9156.7179-127.5-112.4000107.6
28S31.6Very low33.7Very low116 Ų116151.6 Ų151.681%0.81183%0.831SS**  trans-162.1102.5158.5550000111.1
29E35.3Very low33.2Very low158 Ų158152.1 Ų152.174%0.73883%0.833SS**  trans-81.6148.5156.6-65.2145.5111.800109.2
30V36.7Very low33.2Very low153 Ų153150.9 Ų150.993%0.92783%0.834SS**  trans-144.3153.5147.6-1650000106.8
31D33.3Very low33.8Very low148 Ų148150.4 Ų150.479%0.79183%0.834SS**  trans-115.7-166.8-156.9-158-3.1000113.5
32D32.1Very low33.6Very low156 Ų156151 Ų15183%0.83483%0.831SS**  trans84.6133.4162.5-73.3-56.5000119.5
33G28.2Very low33.6Very low78 Ų78148.6 Ų148.680%0.80483%0.827SS**  trans1641.9169.400000121.8
34L33.6Very low33.3Very low168 Ų168151.7 Ų151.788%0.8883%0.83SS**  trans-75.7139.9175-89.5169.8000112
35P46.6Very low33.4Very low120 Ų120152 Ų15278%0.77983%0.834SS**  -147.817988.630.5-9.4000114.1
36S31.4Very low33.4Very low118 Ų118147.9 Ų147.983%0.82584%0.835SS**  cis-170.7153.5-27178.10000108.4
37G28.3Very low33.3Very low78 Ų78141.6 Ų141.680%0.80483%0.83SS**  trans82.1149.4174.400000115
38G27.7Very low33.4Very low71 Ų71140.1 Ų140.173%0.73284%0.835SS**  cis176.7162.6-4.500000112.3
39E28.4Very low33.5Very low205 Ų205143 Ų14396%0.95884%0.84SS**  trans71.3139167.4-54.8-168.6162.500120.3
40K31.9Very low33.3Very low203 Ų203140.2 Ų140.288%0.88384%0.838SS**  trans-159.7162.2170.3-115.1-173.4-177.9-179.70104.7
41P47.1Very low32.9Very low120 Ų120138 Ų13878%0.77983%0.829SS**  cis-129.5178.2-1140.8-26.3000112.7
42S29.2Very low33Very low119 Ų119139.4 Ų139.483%0.83284%0.835SS**  trans-142.4143.5147.957.90000110.5
43K37.4Very low33.2Very low192 Ų192141.2 Ų141.284%0.83584%0.835SS**  trans-91.3149.7164.3-65.6-177.3177.5-174.10108
44N29.6Very low33.4Very low164 Ų164146.7 Ų146.788%0.87784%0.837SS**  -170.2148.8121.1-95.8-6000110.7
45E35.7Very low33.3Very low184 Ų184148.6 Ų148.686%0.8684%0.839SS**  trans-83.9146.8169.8-60.4166.6122.600109.8
46T33.7Very low32.7Very low148 Ų148150.8 Ų150.891%0.90884%0.842SS**  trans-164.3133.1136.23.30000108.3
47G31.5Very low32.6Very low77 Ų77154.8 Ų154.879%0.79485%0.845SS**  trans-80.1165.7-171.200000114.1
48L32.1Very low32.6Very low167 Ų167154 Ų15487%0.87484%0.837SS**  trans-143.7100.2166.8-113.4168.9000110.2S50L48-S50 PolarHBondContact O-N 2.64Å
49L34.5Very low32.7Very low176 Ų176156.4 Ų156.492%0.92184%0.842SS**  trans-70.9112.3167.4-73.4167.9000109.1
50S29.5Very low32.8Very low100 Ų100153 Ų15370%0.69984%0.835SS**  trans169.2166.4141.456.60000113.3L48L48-S50 PolarHBondContact O-N 2.64Å
51S28.7Very low32.9Very low107 Ų107149.5 Ų149.575%0.74883%0.834SS**  trans79.957.8149.8-52.70000119.6K53S51-K53 PolarHBondContact O-N 3.21Å
52I35.3Very low32.2Very low177 Ų177153.3 Ų153.391%0.90884%0.838SS**  trans-84.882.1153.1-55.3-176.4000109.8
53K37Very low32.2Very low194 Ų194156.6 Ų156.684%0.84384%0.84SS**  trans-147.191.3162.3-93.7-167177.2177.80110.7S51S51-K53 PolarHBondContact O-N 3.21Å
54K33.1Very low31.7Very low192 Ų192156.6 Ų156.684%0.83584%0.843SS**  trans178.3115.7157.1-99.9152.9-168.5173.10110.2
55F30.3Very low31.7Very low209 Ų209160.1 Ų160.192%0.91784%0.844SS**  -151.7147.9100.9-76.3-71.9000104.4
56I33.9Very low31.3Very low165 Ų165160.7 Ų160.785%0.84685%0.846SS**  cis-137.1151.444.4-68.2155.5000109.8
57K30.3Very low31Very low203 Ų203160.8 Ų160.888%0.88384%0.841SS**  trans-144.698.3158.3-168.8176.5-178.3179.10111.3
58G28.5Very low31.4Very low62 Ų62162.6 Ų162.664%0.63984%0.839SS**  trans-71.1151.1166.300000111.5
59S30.1Very low31.3Very low121 Ų121160 Ų16085%0.84684%0.836SS**  trans-93.6139.5-17850.60000112.7
60T30.1Very low31.3Very low133 Ų133161 Ų16182%0.81683%0.832SS**  trans-120.8139.2168.147.40000111
61P34.5Very low31.3Very low130 Ų130167.9 Ų167.984%0.84484%0.843SS**  trans-80.1168.2161.721.3-10.2000111.4
62K31.8Very low31.3Very low199 Ų199167.7 Ų167.787%0.86584%0.842SS**  trans-112.6147.1173.7-66.4177.3177.2177.60110.3
63E28.6Very low31.1Very low188 Ų188168.6 Ų168.688%0.87983%0.834SS**  trans176.6161.3146.7-102.7164.3-15700107.5
64E27.2Very low30.8Very low192 Ų192166.8 Ų166.890%0.89783%0.832SS**  -135-166.9-62.5-147.9176.3-161.900108.6
65R30Very low30.7Very low239 Ų239162.9 Ų162.990%0.90282%0.816SS**  trans-90.9139.3-173-66.6171.3169.7166.9-4.8112.4
66E27.1Very low30.8Very low195 Ų195164.7 Ų164.791%0.91182%0.817SS**  -163.1166.4126.2-119.1-180-169.100114.6
67N28.1Very low30.8Very low150 Ų150163.2 Ų163.280%0.80281%0.811SS**  trans-164.9132.1-178.8-140.9-15.2000105.3
68P39.9Very low31.1Very low115 Ų115160.9 Ų160.975%0.74781%0.807SS**  -147.7178.467.136.1-13.5000114.4
69S30Very low31.4Very low114 Ų114163.9 Ų163.980%0.79781%0.808SS**  166.3-164.777.7580000112
70K32.8Very low31.5Very low196 Ų196164 Ų16485%0.85280%0.799SS**  trans-117.4164.9-164.5-59.1177.1-179.2177.10113.8
71R30.9Very low31.7Very low244 Ų244163.8 Ų163.892%0.92179%0.793SS**  trans87.1154.4173-62.6178.2170.4172.8-3.8115.3
72S28.1Very low31.7Very low104 Ų104164.5 Ų164.573%0.72779%0.789SS**  cis-168.2151.2-22.750.80000112.5
73R30.2Very low31.7Very low196 Ų196161.9 Ų161.974%0.7478%0.783SS**  trans-10.4134.8158.7176.4-176.3-176.5176.47.1118.8E75R73-E75 IonicContact CZ-OE1 3.55Å; R73-E75 IonicContact NE-OE1 3.72Å; R73-E75 IonicContact NE-OE2 2.68Å; R73-E75 IonicContact NH2-OE1 2.73Å; R73-E75 PolarHBondContact NH2-OE1 3.32Å; R73-E75 IonicContact NH2-OE2 3.7Å
74I32.4Very low31.7Very low156 Ų156158.5 Ų158.580%0.878%0.775SS**  -168.5148.8127.6-102.1159.5000111.3
75E30.9Very low31.8Very low110 Ų110154.3 Ų154.351%0.51477%0.767SS.*  trans-80160.1-178.3-57.191.415100114.7R73R73-E75 IonicContact CZ-OE1 3.55Å; R73-E75 IonicContact NE-OE1 3.72Å; R73-E75 IonicContact NE-OE2 2.68Å; R73-E75 IonicContact NH2-OE1 2.73Å; R73-E75 PolarHBondContact NH2-OE1 3.32Å; R73-E75 IonicContact NH2-OE2 3.7Å
76R31.1Very low32Very low246 Ų246149.3 Ų149.393%0.92876%0.763SS**  -162.3138.2125.4-123.7180-66.1161.81113.8
77D34.5Very low32.7Very low135 Ų135145.4 Ų145.472%0.72276%0.755SS**  trans-88.5175.5179.8-48.6-88.9000113.5
78I36.1Very low32.9Very low154 Ų154149.5 Ų149.579%0.7976%0.759SS**  -165.6119123.8-96.4153.2000110.4
79D34.8Very low32.5Very low124 Ų124149.1 Ų149.166%0.66377%0.766SS**  trans28.8137.5145.4-38.8-34.6000121
80N33.3Very low32.5Very low124 Ų124147.3 Ų147.366%0.66377%0.765SS**  -166.7148.151.6-92.4-82.5000113.4
81N34Very low32.3Very low129 Ų129147.3 Ų147.369%0.6977%0.768SS**  trans47.2138136.4-56.5-24.3000121
82L34.4Very low32.6Very low145 Ų145145.1 Ų145.176%0.75977%0.765SS**  cis-172.1178-4.3-143.654.7000105.9
83I32.4Very low33.3Very low144 Ų144146 Ų14674%0.73877%0.768SS**  cis-145149.411.9-38163.9000111.1
84T28.1Very low33.2Very low116 Ų116142.9 Ų142.971%0.71277%0.766SS**  trans-28.8156.3148.5-150000115.7
85S29Very low33.4Very low105 Ų105145.2 Ų145.273%0.73477%0.77SS**  cis-163.9161.836.7-41.90000116
86T34.2Very low33.4Very low134 Ų134147.3 Ų147.382%0.82278%0.78SS**  trans-126.9163.1153.560.20000109.2
87P41.5Very low33.6Very low112 Ų112141.3 Ų141.373%0.72777%0.765SS**  -159155.3107.739.4-20000119.4
88R32.6Very low33.4Very low237 Ų237140.6 Ų140.689%0.89477%0.771SS**  trans41.9118.2136.7-63.9-178.4172.2-177.3-2.8124.3
89A31.4Very low33.3Very low107 Ų107143.7 Ų143.788%0.88477%0.773SS**  51.9141.1113.900000124.4
90G29Very low33.1Very low75 Ų75145.1 Ų145.177%0.77379%0.786SS**  trans97.1146.317300000113.4
91E29.7Very low32.9Very low196 Ų196149.4 Ų149.492%0.91679%0.793SS**  cis-148.8-175.3-7.1-65-170.8121.100109.5
92K36.3Very low32.8Very low198 Ų198155.5 Ų155.586%0.86181%0.806SS**  trans-114.8145.8165.1-68.8-178.4178.4176.80109
93P42.8Very low32.6Very low123 Ų123155.8 Ų155.880%0.79980%0.801SS**  -153.2146.199.836.9-18.8000118.3
94N29.5Very low32.5Very low130 Ų130154.8 Ų154.870%0.69581%0.807SS**  trans46.7127.5132.2-164.119.7000122.3
95K35.1Very low32.7Very low205 Ų205155.7 Ų155.789%0.89180%0.803SS**  trans-152149.8143.5-126.6172.4-171.21750114
96Q31.4Very low32.9Very low154 Ų154156.2 Ų156.272%0.7280%0.802SS**  trans-146.5176.6179.5-50.2-172.111.100108.4
97I34.8Very low32.7Very low120 Ų120157.1 Ų157.162%0.61580%0.802SS**  cis-149.9153.47.9-160.9172.1000110.7
98S31.1Very low32.1Very low121 Ų121154.6 Ų154.685%0.84680%0.796SS**  trans-149.4149.3149.367.80000111.4
99R33Very low32Very low218 Ų218153.2 Ų153.282%0.82380%0.8SS**  trans-127.2142.3-175.5-70.9168.3163.3158.6-7.7109.4
100V31.4Very low31.9Very low155 Ų155153.1 Ų153.194%0.93980%0.799SS**  trans-130.4145.2146.31800000108.3
101R29.6Very low31.9Very low214 Ų214153.2 Ų153.281%0.80880%0.799SS**  trans-133.9122.1-167.7173.9-164.6-172.6-163.46.4109.1
102R31.9Very low31.8Very low256 Ų256149.3 Ų149.397%0.96679%0.794SS**  trans-130.5148.5152.7-77.6-166.6173.2179.9-1.1109.3
103K30.6Very low31.6Very low151 Ų151150.6 Ų150.666%0.65780%0.795SS**  trans-148.2128-170.6-170.2-157.8-168.8-153.70108
104S29.9Very low30.9Very low123 Ų123153.5 Ų153.586%0.8680%0.798SS**  trans-143160.1161.938.90000107.5
105Q32.6Very low30.8Very low135 Ų135155.8 Ų155.863%0.63181%0.807SS**  trans-150.7164.7-160.9-106.1-176.3-90.900109.5
106V33.7Very low30.5Very low117 Ų117151.7 Ų151.771%0.70980%0.799SS**  trans70.4134.7153.3153.20000113.7
107N29Very low30.3Very low153 Ų153152 Ų15282%0.81881%0.806SS**  cis-141.5179.40-103.6-4.9000107.5
108G28.9Very low30Very low59 Ų59155.5 Ų155.561%0.60882%0.819SS**  cis155.5176.9-0.300000110.8
109E30.8Very low29.8Very low208 Ų208158.3 Ų158.397%0.97282%0.818SS**  trans71.4160.5172.5-55.1-167.3154.500118.7
110A29.9Very low29.6Very low105 Ų105154.5 Ų154.587%0.86882%0.819SS**  trans-146.1155.3-171.900000110.3
111G28.4Very low29.4Very low76 Ų76156 Ų15678%0.78481%0.813SS**  trans-138.9132177.900000111.7
112S27.8Very low29.4Very low115 Ų115155.1 Ų155.180%0.80482%0.818SS**  trans-97.5151.2173.2-174.90000110.4
113Y30.6Very low29Very low225 Ų225150.9 Ų150.988%0.88281%0.814SS**  trans-150.3123.6159.651-88.7000111.6
114E28.1Very low28.9Very low184 Ų184147.4 Ų147.486%0.8682%0.822SS**  trans-109.7151.8163-62.6-179.6117.900108.5
115M29Very low28.7Very low178 Ų178150.6 Ų150.688%0.87782%0.82SS**  trans148.9142.7159.6-91.5-172.7167.200110
116T28.2Very low28.5Very low119 Ų119150.6 Ų150.673%0.7382%0.824SS**  cis-157.9156.8-12.9-1.40000109.5
117N27.2Very low28.1Very low161 Ų161154.4 Ų154.486%0.86183%0.834SS**  trans-82.1146.1164.6-79.4-43000111.7
118Q28.2Very low28Very low192 Ų192153.9 Ų153.990%0.89783%0.831SS**  trans-140.5142.9157.4-75.8-165.4-6.300111.7
119H27Very low27.9Very low180 Ų180158.7 Ų158.783%0.83384%0.843SS**  trans-102.2144175.7-99.6-77.8000110.7
120V28.7Very low28.4Very low138 Ų138154.2 Ų154.284%0.83683%0.832SS**  trans-135.1144.6155-177.70000108.7
121K27.8Very low28.1Very low188 Ų188154.5 Ų154.582%0.81783%0.827SS**  trans-122.6151.5169.8-74.8-174.8174.3-174.50109.1
122Q28.8Very low28.1Very low194 Ų194156.1 Ų156.191%0.90783%0.827SS**  trans-148.4156.8153.8-117.9174.53.600111.3
123N24.7Very low28.6Very low167 Ų167154.7 Ų154.789%0.89383%0.83SS**  trans-104.8145.2-179.7-81.5-1.9000110.8
124G28.2Very low28.5Very low79 Ų79149.1 Ų149.181%0.81482%0.824SS**  trans-137160.8162.700000109.6
125K26.2Very low28.7Very low189 Ų189145.8 Ų145.882%0.82282%0.818SS**  trans-150.8127.4-167.4-178.1-167.3172-165.60112.5
126L27.6Very low29.1Very low135 Ų135142.7 Ų142.771%0.70781%0.811SS**  trans36.5132.7156.9-71.3157.7000119.8
127E25.8Very low29.4Very low198 Ų198145.9 Ų145.993%0.92581%0.81SS**  -155.1166.1101.7-75.1-134.8137.600109.5
128D25.7Very low29.9Very low141 Ų141144.7 Ų144.775%0.75481%0.809SS**  trans-138.7144.5-166.8-125.9-31.4000111.2
129N27.1Very low30.7Very low160 Ų160139.7 Ų139.786%0.85679%0.792SS**  trans-171155.5154.4-104.4-46.6000112.5
130P41.8Very low31.7Very low114 Ų114135 Ų13574%0.7477%0.772SS**  trans-108.6159.7-153.140.1-37.3000116.6
131S24.3Very low32.4Very low111 Ų111132.2 Ų132.278%0.77675%0.752SS**  trans-158.3146.9156.157.20000113.6
132S26.5Very low33.6Very low111 Ų111124.2 Ų124.278%0.77672%0.724SS**  trans45.6115.1160.253.90000119.7
133G40Very low35.2Very low84 Ų84116.9 Ų116.987%0.86669%0.692SS**  trans-75.4161.8171.600000114.7
134S27.4Very low37.4Very low108 Ų108109 Ų10976%0.75565%0.65SS**  trans-143.7154.6175.753.80000109.9
135P31.8Very low39.7Very low114 Ų114106.8 Ų106.874%0.7462%0.618SS**PPolyproline II helixtrans-66.4158.9-17225.8-35000113.4R137P135-R137 PolarHBondContact O-N 3.25Å
136P37.4Very low41.3Very low113 Ų11398.7 Ų98.773%0.73459%0.585SS**PPolyproline II helixtrans-59.9131.7-172.722.5-33.4000113T138P136-T138 PolarHBondContact O-N 2.84Å
137R34.8Very low42.6Very low186 Ų18694.7 Ų94.770%0.70257%0.567SS**PPolyproline II helixtrans-66125.7-172.1-66.3168171.2151.8-20.9112.3P135 T139 E173P135-R137 PolarHBondContact O-N 3.25Å; R137-T139 PolarHBondContact O-N 3.48Å; R137-E173 IonicContact CZ-OE1 3.15Å; R137-E173 VanDerWaalsContact CZ-OE1 3.23Å; R137-E173 IonicContact NH1-OE1 3.77Å; R137-E173 PolarHBondContact NH1-OE1 2.91Å; R137-E173 IonicContact NH2-OE1 2.94Å; R137-E173 PolarHBondContact NH2-OE1 3.47Å
138T38.6Very low43.3Very low136 Ų13686.5 Ų86.583%0.83453%0.531SS*.PPolyproline II helixtrans-65.6120.2162.652.90000109.8P136 L140P136-T138 PolarHBondContact O-N 2.84Å; T138-L140 PolarHBondContact O-N 3.21Å
139T44.6Very low44.1Very low87 Ų8785.6 Ų85.653%0.53452%0.52SS..PPolyproline II helixtrans-68134.6174.354.60000110.2R137 L141 G142R137-T139 PolarHBondContact O-N 3.48Å; T139-L141 PolarHBondContact O-N 2.77Å; T139-G142 PolarHBondContact O-N 3.36Å
140L47.3Very low44.4Very low81 Ų8183.8 Ų83.842%0.42451%0.511SS..G310 helixtrans-53.5-28.5-175.7-160.168.7000112.9T138 G142 T143T138-L140 PolarHBondContact O-N 3.21Å; L140-G142 VanDerWaalsContact C-N 3.29Å; L140-G142 PolarHBondContact O-N 2.87Å; L140-T143 WeakPolarHBondContact O-CB 3.3Å; L140-T143 PolarHBondContact O-N 2.68Å; L140-T143 PolarHBondContact O-OG1 2.91Å
141L44.8Very low44Very low80 Ų8086.4 Ų86.442%0.41951%0.511SS..G310 helixtrans-49-41.9174-56.5174.5000113.5T139 T143 I144 L303 Y322T139-L141 PolarHBondContact O-N 2.77Å; L141-T143 PolarHBondContact O-N 3.25Å; L141-T143 VanDerWaalsContact O-N 3.1Å; L141-I144 PolarHBondContact O-N 3.13Å; L141-L303 HydrophobicContact CB-CD1 4.01Å; L141-L303 HydrophobicContact CD2-CD1 3.65Å; L141-L303 HydrophobicContact CG-CD1 4.41Å; L141-Y322 HydrophobicContact CD2-CD1 3.96Å; L141-Y322 HydrophobicContact CD2-CE1 3.58Å
142G51.8Low44.2Very low21 Ų2189.3 Ų89.322%0.21651%0.51CS..G310 helixtrans-68.5-4.1177.800000114.6T139 L140T139-G142 PolarHBondContact O-N 3.36Å; L140-G142 VanDerWaalsContact C-N 3.29Å; L140-G142 PolarHBondContact O-N 2.87Å
143T63.2Low44.1Very low40 Ų4089.6 Ų89.625%0.24551%0.512CS..G310 helixtrans-83.4-19.9-178.2-43.10000112.6L140 L141 F317 K352 R376L140-T143 WeakPolarHBondContact O-CB 3.3Å; L140-T143 PolarHBondContact O-N 2.68Å; L140-T143 PolarHBondContact O-OG1 2.91Å; L141-T143 PolarHBondContact O-N 3.25Å; L141-T143 VanDerWaalsContact O-N 3.1Å; T143-F317 HydrophobicContact CG2-CE1 4.04Å; T143-F317 HydrophobicContact CG2-CZ 3.86Å; T143-K352 WeakPolarHBondContact O-CE 3.49Å; T143-K352 WeakPolarHBondContact O-CG 3.29Å; T143-R376 PolarHBondContact O-NH1 3.46Å
144I70.8Confident43.5Very low0 Ų091.5 Ų91.50%051%0.508CS..THydrogen-bonded Turntrans-86.7-55-173.4-59.4178.2000111.7L141 F317 Y322 K352 Y355L141-I144 PolarHBondContact O-N 3.13Å; I144-F317 HydrophobicContact CD1-CB 4.01Å; I144-F317 HydrophobicContact CD1-CD1 3.74Å; I144-F317 HydrophobicContact CD1-CG 4.11Å; I144-F317 HydrophobicContact CG1-CB 4.39Å; I144-F317 HydrophobicContact CG1-CD1 3.49Å; I144-F317 VanDerWaalsContact CG1-CD1 3.49Å; I144-F317 HydrophobicContact CG1-CE1 3.87Å; I144-F317 HydrophobicContact CG1-CG 3.98Å; I144-Y322 HydrophobicContact CD1-CD1 4.45Å; I144-Y322 HydrophobicContact CD1-CD2 3.45Å; I144-Y322 VanDerWaalsContact CD1-CD2 3.45Å; I144-Y322 HydrophobicContact CD1-CE2 3.84Å; I144-Y322 HydrophobicContact CD1-CG 3.78Å; I144-K352 PolarHBondContact O-N 3.33Å; I144-Y355 HydrophobicContact CG2-CD1 4.42Å; I144-Y355 HydrophobicContact CG2-CG 4.09Å
145F76.3Confident43.6Very low33 Ų3390.4 Ų90.415%0.14551%0.506CS..SBendtrans-80.5166.5173.8-52.7-43000111.4C301 L303 V324 S351 Y355 R376F145-C301 HydrophobicContact CD1-CB 4.26Å; F145-C301 HydrophobicContact CE1-CB 3.75Å; F145-C301 HydrophobicContact CE2-CB 4.42Å; F145-C301 HydrophobicContact CZ-CB 3.84Å; F145-L303 HydrophobicContact CE2-CD2 3.9Å; F145-L303 HydrophobicContact CE2-CG 3.74Å; F145-L303 HydrophobicContact CZ-CD2 3.62Å; F145-L303 HydrophobicContact CZ-CG 4.01Å; F145-V324 HydrophobicContact CE1-CG1 4.13Å; F145-V324 HydrophobicContact CE1-CG2 4.42Å; F145-V324 HydrophobicContact CZ-CG1 4.01Å; F145-V324 HydrophobicContact CZ-CG2 4.35Å; F145-S351 WeakPolarHBondContact CA-OG 3.46Å; F145-Y355 AromaticContact CD1-CD1 3.81Å; F145-Y355 HydrophobicContact CD1-CD1 3.81Å; F145-Y355 HydrophobicContact CD1-CD2 4.38Å; F145-Y355 AromaticContact CD1-CE1 3.67Å; F145-Y355 HydrophobicContact CD1-CE1 3.67Å; F145-Y355 HydrophobicContact CD1-CE2 4.26Å; F145-Y355 HydrophobicContact CD1-CG 4.19Å; F145-Y355 AromaticContact CD1-CZ 3.92Å; F145-Y355 HydrophobicContact CE1-CD1 4.17Å; F145-Y355 AromaticContact CE1-CD2 3.9Å; F145-Y355 HydrophobicContact CE1-CD2 3.9Å; F145-Y355 HydrophobicContact CE1-CE1 4.07Å; F145-Y355 AromaticContact CE1-CE2 3.8Å; F145-Y355 HydrophobicContact CE1-CE2 3.8Å; F145-Y355 HydrophobicContact CE1-CG 4.11Å; F145-Y355 AromaticContact CE1-CZ 3.9Å; F145-R376 PolarHBondContact O-NH2 2.81Å
146S60.3Low43.6Very low20 Ų2093.1 Ų93.114%0.1451%0.514CS..  trans-46.5136.6169.5-172.40000111V148 S351S146-V148 PolarHBondContact O-N 3.03Å; S146-V148 VanDerWaalsContact O-N 3.16Å; S146-S351 PolarHBondContact N-OG 3.2Å
147P53.5Low43.4Very low51 Ų5197.2 Ų97.233%0.33152%0.521SS..SBendtrans-70.1-7.6179-15.329.7000114.1F149 Y386P147-F149 PolarHBondContact O-N 2.91Å; P147-Y386 HydrophobicContact CG-CD2 3.66Å; P147-Y386 HydrophobicContact CG-CE2 3.55Å
148V42.4Very low43.2Very low26 Ų2696.1 Ų96.116%0.15853%0.529CS..THydrogen-bonded Turntrans-78.5115.7-167.7-172.50000109.6S146 S406S146-V148 PolarHBondContact O-N 3.03Å; S146-V148 VanDerWaalsContact O-N 3.16Å; V148-S406 WeakPolarHBondContact CG1-OG 3.38Å
149F40.8Very low42.7Very low121 Ų12193.1 Ų93.153%0.53153%0.525SS..THydrogen-bonded Turntrans74.949.6-178.3-58-65.9000118.8P147 F151P147-F149 PolarHBondContact O-N 2.91Å; F149-F151 PolarHBondContact O-N 3Å
150N34.1Very low41.8Very low123 Ų12395.9 Ų95.966%0.65854%0.542SS*.THydrogen-bonded Turntrans-73.99.6162.5-1265.4000114.6
151F32.7Very low41.1Very low168 Ų16898 Ų9874%0.73756%0.563SS**THydrogen-bonded Turntrans-113.6-7.9-161.7-120.8-87.9000117.4F149F149-F151 PolarHBondContact O-N 3Å
152F29.6Very low40.2Very low173 Ų17397.4 Ų97.476%0.75958%0.577SS**  trans-134.274.8179.5-71.8-70.7000113.6P154F152-P154 WeakPolarHBondContact O-CD 3.31Å
153S24.3Very low39.2Very low117 Ų117102.4 Ų102.482%0.81861%0.608SS**  trans-100.4102.7152.7-80.10000109.3A155S153-A155 PolarHBondContact O-N 2.88Å
154P27.1Very low37.6Very low123 Ų123107.9 Ų107.980%0.79964%0.637SS**  trans-73.777.4173.531.3-34.4000110F152 N156F152-P154 WeakPolarHBondContact O-CD 3.31Å; P154-N156 PolarHBondContact O-N 2.92Å
155A30.6Very low35.5Very low86 Ų86113.9 Ų113.971%0.71168%0.678SS**  trans-60129.6173.700000110.1S153 K157S153-A155 PolarHBondContact O-N 2.88Å; A155-K157 PolarHBondContact O-N 2.89Å
156N30.3Very low33.6Very low170 Ų170118.5 Ų118.591%0.90971%0.712SS**  trans-57.496.8-172.8-82.3-35.1000113.2P154 N158P154-N156 PolarHBondContact O-N 2.92Å; N156-N158 PolarHBondContact O-N 2.86Å
157K34.7Very low32.3Very low199 Ų199121 Ų12187%0.86574%0.74SS**  trans-8880.6162.6-75.1-172.1176.5179.40110.2A155A155-K157 PolarHBondContact O-N 2.89Å
158N30.3Very low31.4Very low163 Ų163127.7 Ų127.787%0.87277%0.767SS**SBendtrans-170.189.1159.1-98.4-27.2000112.9N156N156-N158 PolarHBondContact O-N 2.86Å
159G27.4Very low30.9Very low74 Ų74130.2 Ų130.276%0.76379%0.79SS**  trans71.6147.6167.100000116.3
160T26.4Very low30.6Very low145 Ų145130.3 Ų130.389%0.8980%0.801SS**  cis-147.7159.69-52.50000110.1
161S32.7Very low30.7Very low124 Ų124132.4 Ų132.487%0.86781%0.806SS**  trans-52.4141.4-170.3-40.40000116.9
162G25.8Very low30.8Very low68 Ų68127.6 Ų127.670%0.70180%0.798SS**  trans-175.597.9169.400000115.9
163S29.6Very low31.1Very low126 Ų126124.1 Ų124.188%0.88178%0.784SS**  trans51.2114161.657.10000120.7
164D30.1Very low31.6Very low156 Ų156126 Ų12683%0.83478%0.78SS**  trans-75.5154.2166.5-61-75.1000114.3
165S27.6Very low32.2Very low125 Ų125125.7 Ų125.787%0.87477%0.77SS**  trans-161.195.3153.5-800000110.8
166P35.9Very low32.7Very low131 Ų131125.6 Ų125.685%0.85176%0.761SS**  trans-85.9127.8-179.332.5-32.4000111.7
167G32.2Very low33Very low71 Ų71126.9 Ų126.973%0.73276%0.758SS**  trans177.843-178.300000117.7
168Q34.4Very low33Very low193 Ų193125.4 Ų125.490%0.90275%0.754SS**SBendtrans-155.85.2173.2-134.7157.780.900116.7
169A33.2Very low33.3Very low78 Ų78124.1 Ų124.165%0.64575%0.747SS**SBendtrans-96.8-23.6-174.600000115
170V33.6Very low33.7Very low124 Ų124127.8 Ų127.875%0.75275%0.749SS**SBendtrans-81.6-22.7-167.3-68.50000114.9A172V170-A172 VanDerWaalsContact C-N 3.34Å
171E37.4Very low34.4Very low166 Ų166129.5 Ų129.578%0.77675%0.749SS**THydrogen-bonded Turntrans-80.9-16.4-176.6-162.1166.1-162.200112.6
172A33.3Very low34.4Very low67 Ų67132 Ų13255%0.55475%0.747SS**THydrogen-bonded Turntrans-83-16.5-179.200000114.2V170V170-A172 VanDerWaalsContact C-N 3.34Å
173E36.1Very low34.8Very low101 Ų101138.1 Ų138.147%0.47276%0.757SS.*THydrogen-bonded Turntrans-86.1-28.4-176.1-67.1-152.582.900114.1R137R137-E173 IonicContact CZ-OE1 3.15Å; R137-E173 VanDerWaalsContact CZ-OE1 3.23Å; R137-E173 IonicContact NH1-OE1 3.77Å; R137-E173 PolarHBondContact NH1-OE1 2.91Å; R137-E173 IonicContact NH2-OE1 2.94Å; R137-E173 PolarHBondContact NH2-OE1 3.47Å
174E35.4Very low34.9Very low156 Ų156138.3 Ų138.373%0.72975%0.753SS**THydrogen-bonded Turntrans-77.6-35-172.9-166.8163.6-153.500112.4V176 K177E174-V176 VanDerWaalsContact C-N 3.29Å; E174-V176 PolarHBondContact O-N 2.84Å; E174-K177 PolarHBondContact O-N 2.79Å
175I39.9Very low34.9Very low116 Ų116138.1 Ų138.160%0.59575%0.752SS**G310 helixtrans-64.1-33-179-59.7173.9000111.9K177I175-K177 VanDerWaalsContact C-N 3.28Å; I175-K177 PolarHBondContact O-N 3.43Å
176V40.3Very low34.9Very low85 Ų85141 Ų14152%0.51575%0.752SS.*G310 helixtrans-69.5-23.9-175.1-178.80000112.4E174 Q178E174-V176 VanDerWaalsContact C-N 3.29Å; E174-V176 PolarHBondContact O-N 2.84Å; V176-Q178 VanDerWaalsContact C-N 3.28Å; V176-Q178 PolarHBondContact O-N 3.34Å
177K36.8Very low34.6Very low196 Ų196142.4 Ų142.485%0.85275%0.75SS**G310 helixtrans-73.3-8.1-175.6-93.8-175.9175.1177.50115.7E174 I175E174-K177 PolarHBondContact O-N 2.79Å; I175-K177 VanDerWaalsContact C-N 3.28Å; I175-K177 PolarHBondContact O-N 3.43Å
178Q35.2Very low34.3Very low168 Ų168144.8 Ų144.879%0.78575%0.751SS**G310 helixtrans-113.32-171.1-63-169.413.400115.6V176V176-Q178 VanDerWaalsContact C-N 3.28Å; V176-Q178 PolarHBondContact O-N 3.34Å
179L35.9Very low34Very low136 Ų136141.1 Ų141.171%0.71274%0.742SS**THydrogen-bonded Turntrans-120.8-19.5-171.5-66.4174.2000115.9M181L179-M181 PolarHBondContact O-N 2.93Å
180D35.5Very low33.7Very low152 Ų152143.1 Ų143.181%0.81375%0.751SS**THydrogen-bonded Turntrans-84.145-178.6-77.6-20000113.7
181M40.7Very low33.5Very low180 Ų180143.1 Ų143.189%0.88775%0.752SS**THydrogen-bonded Turntrans-143.623173.1-145.1-179.772.800115.9L179L179-M181 PolarHBondContact O-N 2.93Å
182E34.7Very low33Very low176 Ų176141.6 Ų141.682%0.82275%0.754SS**  trans-154.382.7169.3-136.7170.8-127.900114.7
183Q33.5Very low32.7Very low197 Ų197145.1 Ų145.192%0.92177%0.769SS**  trans-172.596.6142.8-108.2152.6101.800112.8
184V32.3Very low32.4Very low131 Ų131145 Ų14579%0.79478%0.779SS**  trans-127141.3155.2178.40000105.8
185D29Very low32Very low151 Ų151143 Ų14381%0.80778%0.778SS**  trans58.2108.4-178.8-59.7-31.9000117.5
186E27.8Very low31.5Very low187 Ų187145.1 Ų145.187%0.87479%0.79SS**  -156.4140.898.4-139.2-177.2-178.100112.6
187I28.7Very low30.9Very low160 Ų160144.8 Ų144.882%0.82180%0.804SS**  trans-116.5116.2168.1-63.8160.9000107.6
188T26.1Very low30.4Very low121 Ų121140.3 Ų140.374%0.74280%0.803SS**  trans-162.2132.1146.4-86.10000113.8
189T28.1Very low30Very low115 Ų115136.4 Ų136.471%0.70680%0.799SS**  trans-13.5137156.6-490000118.2
190S28.4Very low29.5Very low120 Ų120140.9 Ų140.984%0.83981%0.809SS**  trans-133.9120154-84.20000111.7
191T28Very low29.1Very low125 Ų125139.3 Ų139.377%0.76781%0.809SS**  trans-125.1124.8170.2-670000108
192T27.3Very low28.5Very low134 Ų134137.9 Ų137.982%0.82281%0.805SS**  trans-108113-174.154.60000112.5
193T27.4Very low28.2Very low141 Ų141139.1 Ų139.187%0.86581%0.811SS**  trans-134140.6160.2-510000108.4
194S29.1Very low27.9Very low99 Ų99134.3 Ų134.369%0.69281%0.805SS**  trans-93146.3-168.2-178.30000113.8
195T28Very low27.7Very low114 Ų114134.1 Ų134.170%0.69980%0.804SS**  169.2143.1113.134.80000115
196N29.6Very low27.6Very low160 Ų160135 Ų13586%0.85680%0.803SS**  trans54.2133.4147.3-55.8-13.9000122.7
197G27.2Very low27.6Very low78 Ų78132 Ų13280%0.80480%0.797SS**  trans15078.8144.300000121.2
198A26.8Very low27.7Very low101 Ų101136.2 Ų136.284%0.83580%0.803SS**  trans26.8105.1148.200000123.5
199A25.7Very low28.2Very low86 Ų86135.6 Ų135.671%0.71180%0.801SS**  59.7146117.900000125.4
200Y26.3Very low28.2Very low231 Ų231136 Ų13691%0.90681%0.809SS**  trans74.5107.4161.8-63.3-72.4000121
201S27.1Very low28.2Very low118 Ų118137 Ų13783%0.82580%0.803SS**  165.3161.695.8-163.90000112.4
202N27.5Very low28.1Very low150 Ų150138.9 Ų138.980%0.80281%0.808SS**  trans-92.3150.3178.4-59.2-50000112.5
203Q28.4Very low28.2Very low202 Ų202139.5 Ų139.594%0.94481%0.807SS**  -170.6159.7123.1-106.8171.314.700112.6
204A27.1Very low28.1Very low97 Ų97136.1 Ų136.180%0.80280%0.8SS**  trans-141.1149.4177.200000110.5
205V27.7Very low28.1Very low127 Ų127139.2 Ų139.277%0.7781%0.808SS**  trans-165.9112.3166.41270000106.4
206Q28.4Very low28.1Very low169 Ų169142.2 Ų142.279%0.7981%0.814SS**  68.5109.796.5-78.5-168.4-5.100114.2
207V26.6Very low28.2Very low123 Ų123143.8 Ų143.875%0.74582%0.816SS**  90.6124.677.2160.90000112.5
208R30.6Very low28.3Very low249 Ų249144.6 Ų144.694%0.9482%0.815SS**  trans-97.5138.6162.8-73.6-178.1174.9179.9-1.3109.8
209P37.7Very low28.6Very low108 Ų108149 Ų14970%0.70182%0.819SS**  trans-125.7144.1156.736.5-25.6000112.4
210S26.7Very low29Very low124 Ų124152 Ų15287%0.86782%0.818SS**  -178.6149116.7-77.80000111.6
211I28.5Very low29.2Very low141 Ų141146.5 Ų146.572%0.72381%0.808SS**  trans-122.1150.1-177.6-64160.1000106.9
212N26.1Very low29.4Very low164 Ų164147.5 Ų147.588%0.87781%0.809SS**  trans-167.6161.6138.5-100.8-18.3000113.3
213N29.1Very low29.7Very low148 Ų148146.5 Ų146.579%0.79180%0.804SS**  trans-119163.3-159.8-61.5-20.1000113.8
214G25.7Very low29.8Very low70 Ų70147.3 Ų147.372%0.72280%0.798SS**  trans97.1165.5150.600000116.9
215L29.5Very low30.1Very low163 Ų163148.9 Ų148.985%0.85379%0.793SS**  cis-170.9169.7-18.5-122.5171.5000109
216E28.7Very low30.6Very low177 Ų177150.6 Ų150.683%0.82780%0.796SS**  trans73.7169.7165.1-69.2174.9-172.600119.6
217E30.4Very low31.3Very low194 Ų194148.2 Ų148.291%0.90780%0.795SS**  trans-130.5169.7-142.9-53.2171.7117.400114.2
218A30.3Very low32.4Very low95 Ų95147.4 Ų147.479%0.78579%0.793SS**  trans-163.4114.8149.600000114
219E32.1Very low32.6Very low194 Ų194142.9 Ų142.991%0.90779%0.786SS**  trans35.4157.6134.6-62.7-175.4-17700124.6
220E35.3Very low32.2Very low148 Ų148144 Ų14469%0.69279%0.791SS**  cis-171.9-167.9-37-145.4-136.4-163.500111
221T29.3Very low32.5Very low115 Ų115142.4 Ų142.471%0.70679%0.786SS**  trans75.5145.5174.578.20000116.9
222V32.8Very low33.1Very low139 Ų139141.7 Ų141.784%0.84279%0.79SS**  cis-128.215819.2176.30000112.5
223N32.3Very low33.8Very low129 Ų129140.3 Ų140.369%0.6979%0.788SS**  trans-88.5174.3-168.4-88.6-83.6000117.3
224R31.2Very low34Very low220 Ų220139.6 Ų139.683%0.8379%0.789SS**  trans97142.6156.8-60-166156.31513.9118.6
225D32.8Very low35.3Very low129 Ų129141.9 Ų141.969%0.6979%0.791SS**  cis-160.5158.8-13.9-96.7-25.7000108.9
226I39.2Very low35.5Very low164 Ų164141.2 Ų141.284%0.84179%0.788SS**  trans-139.5128.5172.9-56.6176.7000111.8
227P42.2Very low35.8Very low118 Ų118137.7 Ų137.777%0.76678%0.783SS**  trans-127.5166.3147.98.814.4000113.8
228P49.4Very low36Very low107 Ų107132.3 Ų132.370%0.69578%0.78SS**  trans-126.4174.8-156.443-30000117.7
229L34.6Very low36.3Very low153 Ų153139.2 Ų139.280%0.80179%0.787SS**  trans63.7117.3150.7-106.585.1000120.7
230T30.3Very low36.6Very low131 Ų131135.7 Ų135.780%0.80478%0.784SS**  168.4141.8102.933.30000115.5
231A32.9Very low36.9Very low92 Ų92132.7 Ų132.776%0.7678%0.78SS**  trans64.2173.3151.600000119.3
232P41.4Very low37.5Very low125 Ų125131.8 Ų131.881%0.81278%0.783SS**  -127.2-177.4-63.639.2-26.8000114
233V40.3Very low37.8Very low136 Ų136132.4 Ų132.482%0.82478%0.777SS**  trans-75.3136-173.8178.70000114.5
234T34.3Very low38.3Very low133 Ų133130.9 Ų130.982%0.81678%0.782SS**  trans-143.9150.5147.3370000110.4
235P51.9Low38.9Very low117 Ų117128.8 Ų128.876%0.7678%0.782SS**  trans-105.8172.9-166.940.9-36.8000116.2
236D33.6Very low39.4Very low149 Ų149126 Ų12680%0.79778%0.777SS**  trans77.8108.6152.3-159.724.8000119.8
237S35.3Very low39.3Very low104 Ų104123 Ų12373%0.72777%0.766SS**  169.2123.8108.147.10000114.8
238G33.9Very low39.5Very low81 Ų81127.5 Ų127.584%0.83577%0.769SS**  trans56.762.5140.900000121.9
239Y37Very low39.6Very low239 Ų239129.7 Ų129.794%0.93777%0.77SS**  trans-86.4106.3155-95.8-86.7000111S241Y239-S241 PolarHBondContact O-N 3.35Å
240S39.8Very low40.3Very low121 Ų121128.9 Ų128.985%0.84676%0.762SS**  trans-81.397173.8-168.50000110A242S240-A242 PolarHBondContact O-N 2.97Å
241S40.6Very low41.1Very low85 Ų85130 Ų13059%0.59476%0.763SS**  trans-76.4101.3173.9-168.90000109.9Y239 H243Y239-S241 PolarHBondContact O-N 3.35Å; S241-H243 PolarHBondContact O-N 2.92Å; S241-H243 PolarHBondContact OG-CD2 3.04Å; S241-H243 PolarHBondContact OG-NE2 2.84Å
242A41.8Very low42Very low95 Ų95133.7 Ų133.779%0.78576%0.758SS**  trans-73.279.1170.500000109.9S240 A244S240-A242 PolarHBondContact O-N 2.97Å; A242-A244 PolarHBondContact O-N 3.38Å
243H39.4Very low43.1Very low152 Ų152136.8 Ų136.870%0.70476%0.762SS**  trans-64.5105.3165.9-74.1-87.3000108.2S241 E245S241-H243 PolarHBondContact O-N 2.92Å; S241-H243 PolarHBondContact OG-CD2 3.04Å; S241-H243 PolarHBondContact OG-NE2 2.84Å; H243-E245 VanDerWaalsContact C-N 3.34Å; H243-E245 PolarHBondContact O-N 3.49Å
244A43.4Very low45.1Very low97 Ų97136.8 Ų136.880%0.80276%0.761SS**  trans-67.598.4164.500000107.4A242 A246A242-A244 PolarHBondContact O-N 3.38Å; A244-A246 VanDerWaalsContact C-N 3.26Å; A244-A246 PolarHBondContact O-N 3.28Å
245E42.1Very low47.7Very low177 Ų177134.9 Ų134.983%0.82774%0.742SS**  trans-63.195165.1-69.6-175.7145.400107.5H243 T247H243-E245 VanDerWaalsContact C-N 3.34Å; H243-E245 PolarHBondContact O-N 3.49Å; E245-T247 PolarHBondContact O-N 3.04Å
246A43.1Very low49.7Very low70 Ų70132.6 Ų132.658%0.57972%0.723SS**  trans-68.388.7164.100000106.8A244 Y248A244-A246 VanDerWaalsContact C-N 3.26Å; A244-A246 PolarHBondContact O-N 3.28Å; A246-Y248 VanDerWaalsContact C-N 3.34Å; A246-Y248 HydrophobicContact CB-CE2 4.39Å; A246-Y248 VanDerWaalsContact O-CD2 3.23Å; A246-Y248 WeakPolarHBondContact O-CD2 3.44Å; A246-Y248 PolarHBondContact O-N 3.11Å
247T38.1Very low52.6Low101 Ų101126.9 Ų126.962%0.6269%0.694SS**  trans-59.1102.5168.4-50.40000107.3E245 E249E245-T247 PolarHBondContact O-N 3.04Å; T247-E249 HydrophobicContact CG2-CG 4.06Å; T247-E249 WeakPolarHBondContact CG2-OE1 3.41Å; T247-E249 PolarHBondContact O-N 2.91Å
248Y46.9Very low55.4Low212 Ų212124.2 Ų124.283%0.83167%0.669SS**  trans-69.782163.5-66.6-86.3000106.6A246 E250A246-Y248 VanDerWaalsContact C-N 3.34Å; A246-Y248 HydrophobicContact CB-CE2 4.39Å; A246-Y248 VanDerWaalsContact O-CD2 3.23Å; A246-Y248 WeakPolarHBondContact O-CD2 3.44Å; A246-Y248 PolarHBondContact O-N 3.11Å; Y248-E250 PolarHBondContact O-N 2.99Å
249E50.3Low58.4Low154 Ų154126.9 Ų126.972%0.7266%0.655SS**  trans-59.491156.5-65.8-68.5158.400105.5T247 D251T247-E249 HydrophobicContact CG2-CG 4.06Å; T247-E249 WeakPolarHBondContact CG2-OE1 3.41Å; T247-E249 PolarHBondContact O-N 2.91Å; E249-D251 VanDerWaalsContact C-N 3.27Å; E249-D251 PolarHBondContact O-N 3.49Å
250E49.1Very low61.2Low135 Ų135116 Ų11663%0.63161%0.612SS**  trans-68.492.7175.1-169.7163.4-135.500106Y248 W252Y248-E250 PolarHBondContact O-N 2.99Å; E250-W252 VanDerWaalsContact C-N 3.3Å; E250-W252 HydrophobicContact CG-CZ2 4.05Å; E250-W252 PolarHBondContact O-N 3.46Å; E250-W252 PolarHBondContact O-NE1 3.19Å; E250-W252 WeakPolarHBondContact OE2-CZ2 3.23Å
251D47.5Very low63.9Low154 Ų154111 Ų11182%0.82458%0.575SS**  trans-70.886.3-168.8-148.81.7000108.7E249 E253E249-D251 VanDerWaalsContact C-N 3.27Å; E249-D251 PolarHBondContact O-N 3.49Å; D251-E253 PolarHBondContact O-N 2.83Å
252W52.4Low66.5Low171 Ų171109.9 Ų109.965%0.64856%0.56SS**  trans-63.594.1-173.2-69.195.8000110.5E250 V254E250-W252 VanDerWaalsContact C-N 3.3Å; E250-W252 HydrophobicContact CG-CZ2 4.05Å; E250-W252 PolarHBondContact O-N 3.46Å; E250-W252 PolarHBondContact O-NE1 3.19Å; E250-W252 WeakPolarHBondContact OE2-CZ2 3.23Å; W252-V254 PolarHBondContact O-N 2.99Å
253E65.4Low69.1Low190 Ų190109.9 Ų109.989%0.88854%0.544SS*.  trans-49.8110.5177.2-70.5-168.7155.600110.2D251 F255D251-E253 PolarHBondContact O-N 2.83Å; E253-F255 PolarHBondContact O-N 2.99Å
254V81.6Confident71.7Confident135 Ų135103.6 Ų103.682%0.81852%0.516SS*.  trans-64.7113.8179.9177.90000107.9W252 D256W252-V254 PolarHBondContact O-N 2.99Å; V254-D256 PolarHBondContact O-N 3.33Å
255F88.5Confident74.2Confident93 Ų93102.1 Ų102.141%0.40850%0.498SS..  trans-53.5105.9-177.2176.2-96.1000111.7E253 P257 F260 N385 Q408E253-F255 PolarHBondContact O-N 2.99Å; F255-P257 HydrophobicContact CE1-CB 4.04Å; F255-P257 WeakPolarHBondContact O-CD 3.49Å; F255-F260 HydrophobicContact CE2-CB 3.73Å; F255-F260 AromaticContact CE2-CD2 3.88Å; F255-F260 HydrophobicContact CE2-CD2 3.88Å; F255-F260 AromaticContact CE2-CG 3.85Å; F255-F260 HydrophobicContact CE2-CG 3.85Å; F255-F260 HydrophobicContact CZ-CB 3.69Å; F255-F260 HydrophobicContact CZ-CD1 4.22Å; F255-F260 HydrophobicContact CZ-CD2 4.2Å; F255-F260 AromaticContact CZ-CG 3.77Å; F255-F260 HydrophobicContact CZ-CG 3.77Å; F255-N385 WeakPolarHBondContact CE2-ND2 3.47Å; F255-N385 WeakPolarHBondContact CZ-OD1 3.28Å; F255-Q408 HydrophobicContact CE1-CG 4.15Å; F255-Q408 HydrophobicContact CZ-CB 4.42Å; F255-Q408 HydrophobicContact CZ-CG 4.11Å
256D93.1Very high76.8Confident69 Ų6999.2 Ų99.237%0.36950%0.495SS..  trans-86.4113.7170.917415.5000109.5V254 Y258 Y259 F260V254-D256 PolarHBondContact O-N 3.33Å; D256-Y258 PolarHBondContact O-N 3.34Å; D256-Y258 WeakPolarHBondContact OD1-CB 3.49Å; D256-Y258 PolarHBondContact OD1-N 3.23Å; D256-Y259 PolarHBondContact O-N 3.28Å; D256-Y259 VanDerWaalsContact OD2-CB 3.28Å; D256-Y259 WeakPolarHBondContact OD2-CB 3.46Å; D256-Y259 PolarHBondContact OD2-N 3.44Å; D256-F260 PolarHBondContact O-N 2.83Å
257P94.7Very high79.3Confident29 Ų2996.8 Ų96.819%0.18847%0.472CS..Hα-helixtrans-63.7-26.3177.727.9-35.2000112.6F255 I261 Q408F255-P257 HydrophobicContact CE1-CB 4.04Å; F255-P257 WeakPolarHBondContact O-CD 3.49Å; P257-I261 WeakPolarHBondContact O-CB 3.23Å; P257-I261 VanDerWaalsContact O-CD1 3.22Å; P257-I261 WeakPolarHBondContact O-CD1 3.26Å; P257-I261 WeakPolarHBondContact O-CG1 3.23Å; P257-I261 PolarHBondContact O-N 2.84Å; P257-Q408 HydrophobicContact CB-CB 4.2Å
258Y95.8Very high82Confident49 Ų4995.2 Ų95.219%0.19246%0.462CS..Hα-helixtrans-80.6-40.5-179.2-61.3-74.3000112.3D256 F260 I261 K262 P407 L459 L462 L463D256-Y258 PolarHBondContact O-N 3.34Å; D256-Y258 WeakPolarHBondContact OD1-CB 3.49Å; D256-Y258 PolarHBondContact OD1-N 3.23Å; Y258-F260 VanDerWaalsContact C-N 3.3Å; Y258-I261 HydrophobicContact CD1-CD1 4.09Å; Y258-I261 HydrophobicContact CE1-CD1 4.47Å; Y258-I261 PolarHBondContact O-N 2.98Å; Y258-K262 PolarHBondContact O-N 3.33Å; Y258-P407 HydrophobicContact CE1-CB 4.16Å; Y258-L459 HydrophobicContact CE1-CD2 4.18Å; Y258-L462 WeakPolarHBondContact CB-O 3.45Å; Y258-L462 HydrophobicContact CD1-CB 3.71Å; Y258-L462 HydrophobicContact CD2-CB 4.41Å; Y258-L462 HydrophobicContact CE1-CB 3.78Å; Y258-L462 HydrophobicContact CE1-CD1 3.78Å; Y258-L462 HydrophobicContact CE1-CG 4.42Å; Y258-L462 HydrophobicContact CE2-CB 4.46Å; Y258-L462 HydrophobicContact CE2-CD1 4.22Å; Y258-L462 HydrophobicContact CG-CB 4.05Å; Y258-L463 HydrophobicContact CD1-CD2 4.21Å
259Y95.3Very high84.2Confident137 Ų13792.9 Ų92.954%0.53746%0.459SS..Hα-helixtrans-57.6-43.6164.5-173.7-88.5000111.5D256 K262 H263 P464D256-Y259 PolarHBondContact O-N 3.28Å; D256-Y259 VanDerWaalsContact OD2-CB 3.28Å; D256-Y259 WeakPolarHBondContact OD2-CB 3.46Å; D256-Y259 PolarHBondContact OD2-N 3.44Å; Y259-K262 WeakPolarHBondContact O-CB 3.42Å; Y259-K262 PolarHBondContact O-N 2.85Å; Y259-H263 AromaticContact CD1-ND1 3.72Å; Y259-H263 AromaticContact CD2-CE1 3.69Å; Y259-H263 AromaticContact CD2-ND1 3.92Å; Y259-H263 AromaticContact CE1-CE1 3.88Å; Y259-H263 AromaticContact CE1-ND1 3.54Å; Y259-H263 AromaticContact CE2-CE1 3.29Å; Y259-H263 WeakPolarHBondContact CE2-CE1 3.43Å; Y259-H263 AromaticContact CE2-ND1 3.76Å; Y259-H263 AromaticContact CG-ND1 3.89Å; Y259-H263 AromaticContact CZ-CE1 3.39Å; Y259-H263 AromaticContact CZ-ND1 3.56Å; Y259-H263 PolarHBondContact O-N 3.46Å; Y259-H263 PolarHBondContact O-ND1 3.07Å; Y259-P464 HydrophobicContact CD2-CG 4.23Å
260F95.9Very high86.2Confident9 Ų991.8 Ų91.84%0.03945%0.454CS..Hα-helixtrans-59.8-52.9174.3175.2-93.4000111.7F255 D256 Y258 K262 H263 V264 V382 Q383 N385 I387 Q408F255-F260 HydrophobicContact CE2-CB 3.73Å; F255-F260 AromaticContact CE2-CD2 3.88Å; F255-F260 HydrophobicContact CE2-CD2 3.88Å; F255-F260 AromaticContact CE2-CG 3.85Å; F255-F260 HydrophobicContact CE2-CG 3.85Å; F255-F260 HydrophobicContact CZ-CB 3.69Å; F255-F260 HydrophobicContact CZ-CD1 4.22Å; F255-F260 HydrophobicContact CZ-CD2 4.2Å; F255-F260 AromaticContact CZ-CG 3.77Å; F255-F260 HydrophobicContact CZ-CG 3.77Å; D256-F260 PolarHBondContact O-N 2.83Å; Y258-F260 VanDerWaalsContact C-N 3.3Å; F260-K262 VanDerWaalsContact C-N 3.25Å; F260-K262 PolarHBondContact O-N 3.28Å; F260-H263 CarbonylContact O-C 3.54Å; F260-H263 PolarHBondContact O-N 2.96Å; F260-V264 HydrophobicContact CD1-CG2 3.75Å; F260-V264 HydrophobicContact CE1-CG2 3.37Å; F260-V264 HydrophobicContact CE2-CG2 4.41Å; F260-V264 HydrophobicContact CG-CG2 4.44Å; F260-V264 HydrophobicContact CZ-CG2 3.75Å; F260-V264 WeakPolarHBondContact O-CG2 3.4Å; F260-V264 PolarHBondContact O-N 3Å; F260-V382 HydrophobicContact CE2-CG1 4.01Å; F260-V382 HydrophobicContact CZ-CB 4.07Å; F260-V382 HydrophobicContact CZ-CG1 3.9Å; F260-Q383 HydrophobicContact CE2-CB 4.4Å; F260-N385 HydrophobicContact CE1-CB 4.07Å; F260-N385 HydrophobicContact CE2-CB 4.1Å; F260-N385 HydrophobicContact CZ-CB 3.57Å; F260-I387 HydrophobicContact CE1-CD1 3.96Å; F260-I387 HydrophobicContact CE1-CG1 4.34Å; F260-I387 HydrophobicContact CZ-CD1 4.03Å; F260-I387 HydrophobicContact CZ-CG1 4.49Å; F260-Q408 HydrophobicContact CD1-CB 3.55Å; F260-Q408 HydrophobicContact CD1-CG 4.43Å; F260-Q408 HydrophobicContact CE1-CB 3.87Å
261I96.7Very high88.3Confident16 Ų1687 Ų878%0.08243%0.432CS..Hα-helixtrans-53-42.3179.5-70.6155.5000111.6P257 Y258 H263 P407 Q408 A411 L414 L463P257-I261 WeakPolarHBondContact O-CB 3.23Å; P257-I261 VanDerWaalsContact O-CD1 3.22Å; P257-I261 WeakPolarHBondContact O-CD1 3.26Å; P257-I261 WeakPolarHBondContact O-CG1 3.23Å; P257-I261 PolarHBondContact O-N 2.84Å; Y258-I261 HydrophobicContact CD1-CD1 4.09Å; Y258-I261 HydrophobicContact CE1-CD1 4.47Å; Y258-I261 PolarHBondContact O-N 2.98Å; I261-H263 VanDerWaalsContact C-N 3.26Å; I261-H263 PolarHBondContact O-N 2.82Å; I261-P407 HydrophobicContact CD1-CB 3.9Å; I261-Q408 HydrophobicContact CG1-CB 4.41Å; I261-A411 HydrophobicContact CB-CB 4.29Å; I261-A411 HydrophobicContact CG1-CB 3.8Å; I261-A411 HydrophobicContact CG2-CB 4.14Å; I261-L414 HydrophobicContact CD1-CD1 4.02Å; I261-L414 HydrophobicContact CG2-CD1 4.35Å; I261-L414 HydrophobicContact CG2-CD2 4.36Å; I261-L463 HydrophobicContact CB-CD2 3.85Å; I261-L463 HydrophobicContact CG2-CD2 3.57Å
262K95.4Very high90.4Very high62 Ų6284.5 Ų84.527%0.2742%0.418SS..Hα-helixtrans-58.3-36.7176.9-179.179.8177.3-152.70112.8Y258 Y259 F260 P464 P465 D466Y258-K262 PolarHBondContact O-N 3.33Å; Y259-K262 WeakPolarHBondContact O-CB 3.42Å; Y259-K262 PolarHBondContact O-N 2.85Å; F260-K262 VanDerWaalsContact C-N 3.25Å; F260-K262 PolarHBondContact O-N 3.28Å; K262-P464 HydrophobicContact CB-CG 3.94Å; K262-P464 HydrophobicContact CD-CG 4.43Å; K262-P464 WeakPolarHBondContact CE-O 3.47Å; K262-P464 HydrophobicContact CG-CG 3.99Å; K262-P464 PolarHBondContact NZ-O 2.7Å; K262-P465 VanDerWaalsContact NZ-C 3.28Å; K262-P465 PolarHBondContact NZ-O 2.67Å; K262-D466 VanDerWaalsContact CE-OD1 3.3Å; K262-D466 WeakPolarHBondContact CE-OD1 3.36Å; K262-D466 IonicContact NZ-OD1 2.73Å; K262-D466 PolarHBondContact NZ-OD1 3.31Å; K262-D466 IonicContact NZ-OD2 3.66Å
263H95.4Very high92.2Very high95 Ų9582.7 Ų82.744%0.4442%0.42SS..Hα-helixtrans-1056.6-172.6-60.495.6000114.1Y259 F260 I261Y259-H263 AromaticContact CD1-ND1 3.72Å; Y259-H263 AromaticContact CD2-CE1 3.69Å; Y259-H263 AromaticContact CD2-ND1 3.92Å; Y259-H263 AromaticContact CE1-CE1 3.88Å; Y259-H263 AromaticContact CE1-ND1 3.54Å; Y259-H263 AromaticContact CE2-CE1 3.29Å; Y259-H263 WeakPolarHBondContact CE2-CE1 3.43Å; Y259-H263 AromaticContact CE2-ND1 3.76Å; Y259-H263 AromaticContact CG-ND1 3.89Å; Y259-H263 AromaticContact CZ-CE1 3.39Å; Y259-H263 AromaticContact CZ-ND1 3.56Å; Y259-H263 PolarHBondContact O-N 3.46Å; Y259-H263 PolarHBondContact O-ND1 3.07Å; F260-H263 CarbonylContact O-C 3.54Å; F260-H263 PolarHBondContact O-N 2.96Å; I261-H263 VanDerWaalsContact C-N 3.26Å; I261-H263 PolarHBondContact O-N 2.82Å
264V95.5Very high93.4Very high21 Ų2178.4 Ų78.413%0.12740%0.396CS..PPolyproline II helixtrans-59.2122.5173.1170.40000109.4F260 I387 A411 Y412F260-V264 HydrophobicContact CD1-CG2 3.75Å; F260-V264 HydrophobicContact CE1-CG2 3.37Å; F260-V264 HydrophobicContact CE2-CG2 4.41Å; F260-V264 HydrophobicContact CG-CG2 4.44Å; F260-V264 HydrophobicContact CZ-CG2 3.75Å; F260-V264 WeakPolarHBondContact O-CG2 3.4Å; F260-V264 PolarHBondContact O-N 3Å; V264-I387 HydrophobicContact CB-CD1 4.43Å; V264-I387 HydrophobicContact CG1-CD1 3.63Å; V264-I387 HydrophobicContact CG2-CD1 3.79Å; V264-A411 HydrophobicContact CG2-CB 3.87Å; V264-Y412 HydrophobicContact CG1-CD1 4.12Å; V264-Y412 HydrophobicContact CG1-CE1 3.36Å; V264-Y412 HydrophobicContact CG1-CE2 4.16Å; V264-Y412 WeakPolarHBondContact CG1-OH 3.28Å
265P96.4Very high93.9Very high65 Ų6581.1 Ų81.142%0.42240%0.397SS..PPolyproline II helixtrans-66.7145.9178.228.9-34.6000110.5V382 Y412P265-V382 HydrophobicContact CG-CG1 4.15Å; P265-Y412 VanDerWaalsContact O-CE1 3.28Å; P265-Y412 WeakPolarHBondContact O-CE1 3.39Å; P265-Y412 PolarHBondContact O-OH 3.21Å
266P95.9Very high94.3Very high116 Ų11680.4 Ų80.475%0.75340%0.402SS*.PPolyproline II helixtrans-59.1147.3178.726.2-35000111.3T268P266-T268 PolarHBondContact O-N 2.87Å
267L95.1Very high94.4Very high20 Ų2079.4 Ų79.411%0.10540%0.403CS..PPolyproline II helixtrans-54.5136.3176.1-68.3168000110.8Q271 L272 V380 D389 Y412L267-Q271 HydrophobicContact CB-CB 4.3Å; L267-Q271 HydrophobicContact CD2-CB 4.2Å; L267-L272 HydrophobicContact CB-CD1 4.42Å; L267-L272 HydrophobicContact CB-CD2 3.78Å; L267-L272 HydrophobicContact CB-CG 3.79Å; L267-L272 HydrophobicContact CD1-CD2 3.76Å; L267-L272 HydrophobicContact CG-CD2 4.43Å; L267-V380 HydrophobicContact CD2-CG1 4.43Å; L267-V380 HydrophobicContact CD2-CG2 3.89Å; L267-D389 HydrophobicContact CD1-CB 4.46Å; L267-D389 HydrophobicContact CD2-CB 4.4Å; L267-Y412 HydrophobicContact CD1-CD1 4.39Å; L267-Y412 HydrophobicContact CD1-CD2 4.45Å; L267-Y412 HydrophobicContact CD1-CG 4.3Å; L267-Y412 HydrophobicContact CD2-CD1 4.44Å; L267-Y412 HydrophobicContact CD2-CD2 3.84Å; L267-Y412 HydrophobicContact CD2-CE1 4.05Å; L267-Y412 HydrophobicContact CD2-CE2 3.4Å; L267-Y412 HydrophobicContact CD2-CG 4.36Å; L267-Y412 HydrophobicContact CG-CD1 3.98Å; L267-Y412 HydrophobicContact CG-CD2 4.19Å; L267-Y412 HydrophobicContact CG-CE1 3.77Å; L267-Y412 HydrophobicContact CG-CE2 4.01Å; L267-Y412 HydrophobicContact CG-CG 4.19Å
268T94.9Very high94.6Very high68 Ų6878.6 Ų78.642%0.41740%0.397SS..PPolyproline II helixtrans-69.6159.717871.70000111.4P266 E270 Q271 L272P266-T268 PolarHBondContact O-N 2.87Å; T268-E270 PolarHBondContact O-N 3.08Å; T268-Q271 WeakPolarHBondContact O-CB 3.49Å; T268-Q271 PolarHBondContact O-N 3.2Å; T268-Q271 VanDerWaalsContact OG1-CG 3.31Å; T268-Q271 WeakPolarHBondContact OG1-CG 3.22Å; T268-Q271 PolarHBondContact OG1-N 3.15Å; T268-L272 WeakPolarHBondContact O-CG 3.43Å; T268-L272 PolarHBondContact O-N 2.93Å
269E94.1Very high94.6Very high163 Ų16380.1 Ų80.176%0.76241%0.413SS*.Hα-helixtrans-56.9-35.7174.9-66.1-167.5159.100112.3N273E269-N273 VanDerWaalsContact O-CB 3.32Å; E269-N273 WeakPolarHBondContact O-CB 3.08Å; E269-N273 PolarHBondContact O-N 3.36Å; E269-N273 PolarHBondContact O-ND2 3.42Å
270E92.4Very high94.6Very high130 Ų13081.1 Ų81.161%0.60743%0.427SS*.Hα-helixtrans-62.4-46174.2-172.1-136.1113.500111.2T268 N273 R274T268-E270 PolarHBondContact O-N 3.08Å; E270-N273 PolarHBondContact O-N 3.33Å; E270-R274 WeakPolarHBondContact O-CG 3.39Å; E270-R274 PolarHBondContact O-N 3.26Å; E270-R274 IonicContact OE1-CZ 2.68Å; E270-R274 IonicContact OE1-NE 3.2Å; E270-R274 PolarHBondContact OE1-NE 2.82Å; E270-R274 IonicContact OE1-NH2 3.83Å; E270-R274 PolarHBondContact OE1-NH2 2.68Å
271Q92.4Very high94.6Very high36 Ų3684 Ų8417%0.16844%0.439CS..Hα-helixtrans-63.5-45.3179.4-69.9164-3.900111.8L267 T268 N273 R274L267-Q271 HydrophobicContact CB-CB 4.3Å; L267-Q271 HydrophobicContact CD2-CB 4.2Å; T268-Q271 WeakPolarHBondContact O-CB 3.49Å; T268-Q271 PolarHBondContact O-N 3.2Å; T268-Q271 VanDerWaalsContact OG1-CG 3.31Å; T268-Q271 WeakPolarHBondContact OG1-CG 3.22Å; T268-Q271 PolarHBondContact OG1-N 3.15Å; Q271-N273 VanDerWaalsContact C-N 3.3Å; Q271-N273 PolarHBondContact O-N 3.04Å; Q271-R274 WeakPolarHBondContact O-CB 3.49Å; Q271-R274 WeakPolarHBondContact O-CG 3.29Å; Q271-R274 PolarHBondContact O-N 3.48Å
272L91.4Very high94.4Very high101 Ų10186.6 Ų86.653%0.52946%0.456SS..Hα-helixtrans-64.9-31.4177.4-68.4170.8000113.1L267 T268 R274L267-L272 HydrophobicContact CB-CD1 4.42Å; L267-L272 HydrophobicContact CB-CD2 3.78Å; L267-L272 HydrophobicContact CB-CG 3.79Å; L267-L272 HydrophobicContact CD1-CD2 3.76Å; L267-L272 HydrophobicContact CG-CD2 4.43Å; T268-L272 WeakPolarHBondContact O-CG 3.43Å; T268-L272 PolarHBondContact O-N 2.93Å; L272-R274 VanDerWaalsContact C-N 3.35Å
273N91.1Very high94.2Very high132 Ų13296.3 Ų96.371%0.70649%0.491SS*.THydrogen-bonded Turntrans-90.710.6177.5-72.5-74.6000113.7E269 E270 Q271 K275E269-N273 VanDerWaalsContact O-CB 3.32Å; E269-N273 WeakPolarHBondContact O-CB 3.08Å; E269-N273 PolarHBondContact O-N 3.36Å; E269-N273 PolarHBondContact O-ND2 3.42Å; E270-N273 PolarHBondContact O-N 3.33Å; Q271-N273 VanDerWaalsContact C-N 3.3Å; Q271-N273 PolarHBondContact O-N 3.04Å; N273-K275 PolarHBondContact O-N 3.37Å
274R89.8Confident93.9Very high101 Ų10196.5 Ų96.538%0.38150%0.503SS..PPolyproline II helixtrans-60.9137.1174.6-75.5175179.3-172.4-3.5110.9E270 Q271 L272E270-R274 WeakPolarHBondContact O-CG 3.39Å; E270-R274 PolarHBondContact O-N 3.26Å; E270-R274 IonicContact OE1-CZ 2.68Å; E270-R274 IonicContact OE1-NE 3.2Å; E270-R274 PolarHBondContact OE1-NE 2.82Å; E270-R274 IonicContact OE1-NH2 3.83Å; E270-R274 PolarHBondContact OE1-NH2 2.68Å; Q271-R274 WeakPolarHBondContact O-CB 3.49Å; Q271-R274 WeakPolarHBondContact O-CG 3.29Å; Q271-R274 PolarHBondContact O-N 3.48Å; L272-R274 VanDerWaalsContact C-N 3.35Å
275K91.9Very high93.9Very high191 Ų19196.2 Ų96.283%0.8350%0.501SS*.PPolyproline II helixtrans-63.2140.1171.1-66.1177.7-177.91700108.9N273 A277N273-K275 PolarHBondContact O-N 3.37Å; K275-A277 PolarHBondContact O-N 3.2Å
276P96.2Very high93.9Very high78 Ų7894.8 Ų94.851%0.50649%0.492SS..PPolyproline II helixtrans-52.5128.4175.5-30.236.6000112.7L278 I392P276-L278 PolarHBondContact O-N 2.92Å; P276-I392 CarbonylContact C-O 3.26Å; P276-I392 VanDerWaalsContact CA-O 3.25Å; P276-I392 WeakPolarHBondContact CA-O 3.4Å
277A96.4Very high93.9Very high48 Ų4894.7 Ų94.740%0.39748%0.482SS..SBendtrans-69.7-2217700000112.3K275 L374 I392K275-A277 PolarHBondContact O-N 3.2Å; A277-L374 HydrophobicContact CB-CD2 3.91Å; A277-I392 HydrophobicContact CB-CG1 4.45Å; A277-I392 PolarHBondContact N-O 2.94Å
278L97.7Very high94.1Very high12 Ų1294 Ų946%0.06348%0.478CS..SBendtrans-101.2143.3178.6-56.6-172.4000111.8P276 I346 H372 L374 L393P276-L278 PolarHBondContact O-N 2.92Å; L278-I346 HydrophobicContact CD1-CD1 3.59Å; L278-I346 HydrophobicContact CD1-CG1 3.94Å; L278-I346 HydrophobicContact CD1-CG2 4.26Å; L278-H372 HydrophobicContact CD1-CB 4.41Å; L278-H372 HydrophobicContact CD2-CB 3.65Å; L278-L374 HydrophobicContact CD2-CD1 4.16Å; L278-L374 HydrophobicContact CD2-CD2 3.98Å; L278-L374 HydrophobicContact CD2-CG 4.17Å; L278-L393 HydrophobicContact CD1-CB 4.14Å; L278-L393 HydrophobicContact CD1-CD2 4.01Å; L278-L393 HydrophobicContact CG-CD2 4.35Å
279P96.8Very high94.3Very high81 Ų8190.8 Ų90.853%0.52646%0.458SS..PPolyproline II helixtrans-63.8160.3169.930-35.8000111.2R395P279-R395 PolarHBondContact O-NH1 3.06Å; P279-R395 PolarHBondContact O-NH2 2.76Å
280L95.6Very high94.5Very high159 Ų15983 Ų8383%0.83242%0.422SS*.PPolyproline II helixtrans-57.8143.4175-60.9176.5000111.4T282L280-T282 PolarHBondContact O-N 2.8Å
281K94.5Very high94.8Very high70 Ų7076.9 Ų76.930%0.30439%0.393SS..PPolyproline II helixtrans-60.7136.8175.8-73.7-161.2168.4-175.30111.2T285 P286 E287 F288 S289 E344K281-T285 HydrophobicContact CB-CG2 4.36Å; K281-T285 HydrophobicContact CD-CG2 3.73Å; K281-T285 HydrophobicContact CG-CG2 3.88Å; K281-P286 PolarHBondContact NZ-O 2.75Å; K281-E287 PolarHBondContact NZ-O 2.84Å; K281-F288 PolarHBondContact NZ-O 2.76Å; K281-S289 VanDerWaalsContact CE-OG 3.28Å; K281-S289 WeakPolarHBondContact CE-OG 3.36Å; K281-S289 PolarHBondContact NZ-OG 2.77Å; K281-E344 VanDerWaalsContact CE-CD 3.45Å; K281-E344 WeakPolarHBondContact CE-OE2 3.04Å; K281-E344 IonicContact NZ-OE2 2.74Å
282T93.3Very high95.1Very high69 Ų6975.2 Ų75.242%0.42339%0.385SS..PPolyproline II helixtrans-84.7158.9167.349.50000110.3L280 S284 T285 R371L280-T282 PolarHBondContact O-N 2.8Å; T282-S284 PolarHBondContact O-N 2.92Å; T282-S284 PolarHBondContact OG1-OG 3.31Å; T282-T285 PolarHBondContact N-OG1 3.49Å; T282-T285 VanDerWaalsContact O-CB 3.31Å; T282-T285 WeakPolarHBondContact O-CB 3.32Å; T282-T285 PolarHBondContact O-N 3.31Å; T282-T285 PolarHBondContact O-OG1 2.94Å; T282-T285 PolarHBondContact OG1-OG1 2.6Å; T282-R371 PolarHBondContact OG1-NH2 2.83Å
283R90.5Very high95.5Very high266 Ų26670.5 Ų70.5100%1.00436%0.36SS*.THydrogen-bonded Turntrans-58.9-15.4175.3-72.7-173.7175.2-169.6-2.4115.1
284S90.3Very high95.8Very high99 Ų9964.2 Ų64.269%0.69233%0.327SS*.THydrogen-bonded Turntrans-99.94.8174.452.50000113.7T282T282-S284 PolarHBondContact O-N 2.92Å; T282-S284 PolarHBondContact OG1-OG 3.31Å
285T94.6Very high96.1Very high15 Ų1559.4 Ų59.49%0.09231%0.309CS..SBendtrans-84135.4167.9-54.70000108.5K281 T282 E344 R371K281-T285 HydrophobicContact CB-CG2 4.36Å; K281-T285 HydrophobicContact CD-CG2 3.73Å; K281-T285 HydrophobicContact CG-CG2 3.88Å; T282-T285 PolarHBondContact N-OG1 3.49Å; T282-T285 VanDerWaalsContact O-CB 3.31Å; T282-T285 WeakPolarHBondContact O-CB 3.32Å; T282-T285 PolarHBondContact O-N 3.31Å; T282-T285 PolarHBondContact O-OG1 2.94Å; T282-T285 PolarHBondContact OG1-OG1 2.6Å; T285-E344 HydrophobicContact CG2-CB 3.72Å; T285-E344 HydrophobicContact CG2-CG 3.76Å; T285-E344 VanDerWaalsContact CG2-OE1 3.31Å; T285-E344 WeakPolarHBondContact CG2-OE1 3.39Å; T285-R371 PolarHBondContact OG1-NE 3.26Å; T285-R371 PolarHBondContact OG1-NH2 2.72Å; T285-R371 VanDerWaalsContact OG1-NH2 3.14Å
286P96.5Very high96.4Very high36 Ų3651.5 Ų51.523%0.23428%0.275CS..  trans-57.9152.1172.5-24.835.4000112.8K281 M342K281-P286 PolarHBondContact NZ-O 2.75Å; P286-M342 VanDerWaalsContact CB-O 3.29Å; P286-M342 WeakPolarHBondContact CB-O 3.16Å
287E96.7Very high96.5Very high114 Ų11447.8 Ų47.853%0.53325%0.251SS..SBendtrans-64-46-178.2-175.1176.2158.700111.7K281 K399K281-E287 PolarHBondContact NZ-O 2.84Å; E287-K399 HydrophobicContact CG-CG 4.45Å; E287-K399 VanDerWaalsContact OE1-CE 3.27Å; E287-K399 WeakPolarHBondContact OE1-CE 3.41Å; E287-K399 IonicContact OE1-NZ 3.8Å
288F98.7Very high96.6Very high5 Ų545.6 Ų45.62%0.02223%0.232CC..SBendtrans-75.7153.5175.4-68.8-95.5000112.6K281 Y343 E344 K399 V443 N446 V449K281-F288 PolarHBondContact NZ-O 2.76Å; F288-Y343 HydrophobicContact CB-CD1 3.45Å; F288-Y343 VanDerWaalsContact CB-CD1 3.45Å; F288-Y343 HydrophobicContact CB-CE1 3.58Å; F288-Y343 HydrophobicContact CB-CG 4.43Å; F288-Y343 HydrophobicContact CD1-CE1 4.34Å; F288-Y343 HydrophobicContact CG-CE1 4.21Å; F288-E344 PolarHBondContact O-N 3.22Å; F288-K399 CarbonylContact C-O 3.48Å; F288-K399 VanDerWaalsContact CA-O 3.31Å; F288-K399 WeakPolarHBondContact CA-O 3.25Å; F288-K399 HydrophobicContact CD1-CB 4.11Å; F288-K399 HydrophobicContact CD1-CD 3.98Å; F288-K399 HydrophobicContact CE1-CB 4.46Å; F288-K399 HydrophobicContact CE1-CD 3.53Å; F288-K399 HydrophobicContact CE2-CD 4.17Å; F288-K399 HydrophobicContact CG-CD 4.48Å; F288-K399 HydrophobicContact CZ-CD 3.64Å; F288-V443 HydrophobicContact CD2-CB 4.4Å; F288-V443 HydrophobicContact CD2-CG1 4.14Å; F288-V443 HydrophobicContact CD2-CG2 4.01Å; F288-V443 HydrophobicContact CE2-CB 4.34Å; F288-V443 HydrophobicContact CE2-CG1 4.18Å; F288-V443 HydrophobicContact CE2-CG2 4.36Å; F288-V443 HydrophobicContact CG-CG2 4.16Å; F288-N446 VanDerWaalsContact CE2-OD1 3.28Å; F288-N446 WeakPolarHBondContact CE2-OD1 3.09Å; F288-N446 WeakPolarHBondContact CZ-OD1 3.42Å; F288-V449 HydrophobicContact CD1-CG1 4.05Å; F288-V449 HydrophobicContact CE1-CG1 3.65Å
289S98.9Very high96.6Very high1 Ų145 Ų451%0.00723%0.229CC..EExtended strand (participates in β ladder)trans-125.1129.1174.7-650000109.9K281 E344 K399 T400 I401K281-S289 VanDerWaalsContact CE-OG 3.28Å; K281-S289 WeakPolarHBondContact CE-OG 3.36Å; K281-S289 PolarHBondContact NZ-OG 2.77Å; S289-E344 WeakPolarHBondContact CA-O 3.48Å; S289-E344 PolarHBondContact OG-OE2 3.13Å; S289-K399 PolarHBondContact N-O 3.06Å; S289-T400 WeakPolarHBondContact O-CA 3.37Å; S289-I401 PolarHBondContact O-N 3.42Å
290L98.9Very high96.7Very high0 Ų042.5 Ų42.50%021%0.211CC..EExtended strand (participates in β ladder)trans-113.5108178.2-175.961.6000108.8L292 F335 M339 Y343 E344 I345 I346 I401 I403 L439L290-L292 HydrophobicContact CD1-CD2 4.25Å; L290-L292 HydrophobicContact CD2-CD2 3.99Å; L290-L292 HydrophobicContact CG-CD2 3.78Å; L290-L292 HydrophobicContact CG-CG 4.21Å; L290-F335 HydrophobicContact CD2-CZ 4.3Å; L290-M339 HydrophobicContact CD2-CB 3.94Å; L290-M339 HydrophobicContact CD2-CG 3.82Å; L290-M339 HydrophobicContact CD2-SD 4.06Å; L290-Y343 HydrophobicContact CB-CD1 3.62Å; L290-Y343 HydrophobicContact CB-CD2 4.42Å; L290-Y343 HydrophobicContact CB-CE1 4.3Å; L290-Y343 HydrophobicContact CB-CG 3.66Å; L290-Y343 HydrophobicContact CD2-CD2 4.28Å; L290-Y343 HydrophobicContact CD2-CG 4.33Å; L290-E344 PolarHBondContact N-O 2.97Å; L290-I345 WeakPolarHBondContact O-CA 3.41Å; L290-I346 PolarHBondContact O-N 2.96Å; L290-I401 HydrophobicContact CD1-CB 3.9Å; L290-I401 HydrophobicContact CD1-CG2 3.93Å; L290-I403 HydrophobicContact CD1-CD1 3.83Å; L290-I403 HydrophobicContact CD1-CG1 4.17Å; L290-L439 HydrophobicContact CD1-CD2 4.13Å; L290-L439 HydrophobicContact CD2-CD1 4.34Å
291V98.9Very high96.6Very high0 Ų035.4 Ų35.40%017%0.174CC..EExtended strand (participates in β ladder)trans-85.6128.8173.9-171.40000108I346 F348 L390 L393 T400 I401 I402 I403V291-I346 CarbonylContact C-O 3.54Å; V291-I346 VanDerWaalsContact CA-O 3.25Å; V291-I346 WeakPolarHBondContact CA-O 3.47Å; V291-I346 HydrophobicContact CG2-CB 4.31Å; V291-I346 HydrophobicContact CG2-CD1 4.14Å; V291-F348 HydrophobicContact CG1-CB 3.52Å; V291-F348 HydrophobicContact CG1-CD2 4.2Å; V291-F348 HydrophobicContact CG1-CG 4.39Å; V291-L390 HydrophobicContact CG2-CD2 4.23Å; V291-L393 HydrophobicContact CG2-CD1 3.58Å; V291-T400 HydrophobicContact CG2-CG2 4.04Å; V291-I401 WeakPolarHBondContact CB-O 3.44Å; V291-I401 PolarHBondContact N-O 3.41Å; V291-I402 HydrophobicContact CB-CB 3.94Å; V291-I402 HydrophobicContact CB-CD1 4.31Å; V291-I402 HydrophobicContact CB-CG1 3.93Å; V291-I402 HydrophobicContact CG1-CB 4.39Å; V291-I402 HydrophobicContact CG1-CD1 3.79Å; V291-I402 HydrophobicContact CG1-CG1 3.9Å; V291-I402 CarbonylContact O-C 3.48Å; V291-I402 WeakPolarHBondContact O-CA 2.97Å; V291-I403 PolarHBondContact O-N 3.46Å
292L98.9Very high96.6Very high1 Ų132.8 Ų32.81%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-123.7136.7177.7-56.6175.5000109.2L290 L298 F335 L336 I345 I346 L347 F348 I403L290-L292 HydrophobicContact CD1-CD2 4.25Å; L290-L292 HydrophobicContact CD2-CD2 3.99Å; L290-L292 HydrophobicContact CG-CD2 3.78Å; L290-L292 HydrophobicContact CG-CG 4.21Å; L292-L298 HydrophobicContact CB-CD1 4.41Å; L292-L298 HydrophobicContact CD1-CD1 4.27Å; L292-F335 HydrophobicContact CD1-CE1 3.99Å; L292-F335 HydrophobicContact CD2-CE1 3.93Å; L292-F335 HydrophobicContact CD2-CZ 4.33Å; L292-L336 HydrophobicContact CD1-CD2 3.5Å; L292-I345 HydrophobicContact CD1-CG2 3.85Å; L292-I345 HydrophobicContact CG-CG2 4.43Å; L292-I346 PolarHBondContact N-O 3.49Å; L292-L347 HydrophobicContact CB-CD1 4.45Å; L292-L347 HydrophobicContact CB-CD2 4.25Å; L292-L347 HydrophobicContact CD1-CD2 4.36Å; L292-L347 WeakPolarHBondContact O-CA 3.5Å; L292-F348 PolarHBondContact O-N 3.45Å; L292-I403 HydrophobicContact CD2-CB 3.93Å; L292-I403 HydrophobicContact CD2-CD1 3.79Å; L292-I403 HydrophobicContact CD2-CG1 4.24Å
293D98.8Very high96.5Very high2 Ų231.3 Ų31.31%0.01115%0.154CC..  trans-71.3174157.1-169.362.1000111.4D295 T297 L298 T349 K388 I403 D404D293-D295 PolarHBondContact OD2-N 3.22Å; D293-T297 HydrophobicContact CB-CG2 4.17Å; D293-T297 PolarHBondContact OD2-OG1 2.73Å; D293-L298 WeakPolarHBondContact O-CD1 3.32Å; D293-T349 VanDerWaalsContact OD1-CA 3.32Å; D293-T349 WeakPolarHBondContact OD1-CA 3.29Å; D293-K388 IonicContact OD1-NZ 2.92Å; D293-K388 PolarHBondContact OD1-NZ 2.83Å; D293-I403 PolarHBondContact N-O 3.01Å; D293-D404 HydrophobicContact CB-CB 4.41Å
294L98.1Very high96.6Very high0 Ų024.5 Ų24.50%014%0.138CC..  trans-114.7-55.3-175.3179.559.4000111.2L298 V299 L347 T349 Y355 A356 L359 L360L294-L298 PolarHBondContact O-N 3.32Å; L294-V299 HydrophobicContact CD1-CG2 4.03Å; L294-V299 HydrophobicContact CG-CG2 4.09Å; L294-V299 VanDerWaalsContact O-CG2 3.29Å; L294-V299 WeakPolarHBondContact O-CG2 3.46Å; L294-V299 PolarHBondContact O-N 3.27Å; L294-L347 HydrophobicContact CB-CD1 4.12Å; L294-L347 HydrophobicContact CD1-CD1 4.25Å; L294-T349 HydrophobicContact CB-CG2 4.4Å; L294-T349 HydrophobicContact CD2-CG2 4.24Å; L294-Y355 HydrophobicContact CD2-CE1 4.42Å; L294-A356 HydrophobicContact CD2-CB 3.77Å; L294-L359 HydrophobicContact CD1-CD2 4.08Å; L294-L359 HydrophobicContact CD2-CD2 4.24Å; L294-L359 HydrophobicContact CG-CD2 4.34Å; L294-L360 HydrophobicContact CD1-CD2 4.05Å
295D96.9Very high96.8Very high1 Ų126.7 Ų26.71%0.00514%0.137CC..BIsolated β-bridgetrans-89.1133.1-165.3-52.7-75.2000108.6D293 T297 T349 S351 Y355D293-D295 PolarHBondContact OD2-N 3.22Å; D295-T297 PolarHBondContact O-N 2.74Å; D295-T297 PolarHBondContact O-OG1 3.23Å; D295-T349 PolarHBondContact OD2-OG1 3.41Å; D295-S351 WeakPolarHBondContact OD2-CB 3.46Å; D295-S351 PolarHBondContact OD2-OG 3.22Å; D295-Y355 VanDerWaalsContact OD1-CE1 3.29Å; D295-Y355 WeakPolarHBondContact OD1-CE1 3.49Å; D295-Y355 VanDerWaalsContact OD1-CZ 3.29Å; D295-Y355 PolarHBondContact OD1-OH 3.47Å
296E97.8Very high96.7Very high24 Ų2427.1 Ų27.111%0.11214%0.138CC..THydrogen-bonded Turntrans57.5-5.3-168.5-69.757.3-10800115.1V299 H300 R329 N405 W423 F424E296-V299 VanDerWaalsContact CA-O 3.26Å; E296-V299 WeakPolarHBondContact CA-O 3.49Å; E296-V299 PolarHBondContact N-O 3.24Å; E296-H300 IonicContact OE1-CE1 3.72Å; E296-H300 IonicContact OE1-CG 3.65Å; E296-H300 IonicContact OE1-ND1 2.72Å; E296-H300 PolarHBondContact OE1-ND1 3.01Å; E296-R329 PolarHBondContact O-NH1 3.09Å; E296-N405 WeakPolarHBondContact CB-ND2 3.37Å; E296-W423 PolarHBondContact O-N 3Å; E296-F424 HydrophobicContact CG-CD1 4.04Å; E296-F424 HydrophobicContact CG-CE1 3.44Å; E296-F424 VanDerWaalsContact CG-CE1 3.44Å; E296-F424 HydrophobicContact CG-CZ 3.81Å
297T98.4Very high96.6Very high0 Ų035.2 Ų35.20%017%0.173CC..THydrogen-bonded Turntrans-100.6-50.4-179.3-64.90000111.7D293 D295 R329 N405 I420D293-T297 HydrophobicContact CB-CG2 4.17Å; D293-T297 PolarHBondContact OD2-OG1 2.73Å; D295-T297 PolarHBondContact O-N 2.74Å; D295-T297 PolarHBondContact O-OG1 3.23Å; T297-R329 WeakPolarHBondContact O-CD 3.37Å; T297-R329 PolarHBondContact O-NH1 2.92Å; T297-R329 VanDerWaalsContact O-NH1 3.09Å; T297-N405 PolarHBondContact OG1-N 3.02Å; T297-I420 HydrophobicContact CG2-CG2 4.2Å
298L98.5Very high96.5Very high3 Ų332.2 Ų32.22%0.01616%0.161CC..THydrogen-bonded Turntrans-116.5-25.4178.5-60.8178.4000113.3L292 D293 L294 R329 L347 L432L292-L298 HydrophobicContact CB-CD1 4.41Å; L292-L298 HydrophobicContact CD1-CD1 4.27Å; D293-L298 WeakPolarHBondContact O-CD1 3.32Å; L294-L298 PolarHBondContact O-N 3.32Å; L298-R329 VanDerWaalsContact O-CB 3.24Å; L298-R329 WeakPolarHBondContact O-CB 3.46Å; L298-R329 PolarHBondContact O-N 3.14Å; L298-L347 HydrophobicContact CD1-CD1 4.07Å; L298-L432 HydrophobicContact CD2-CD1 3.93Å; L298-L432 HydrophobicContact CD2-CD2 4.05Å
299V98.1Very high96.4Very high0 Ų033.3 Ų33.30%017%0.171CC..EExtended strand (participates in β ladder)trans-137.8170.4178.7-63.40000110L294 E296 V326 R327 L328 L359 L363L294-V299 HydrophobicContact CD1-CG2 4.03Å; L294-V299 HydrophobicContact CG-CG2 4.09Å; L294-V299 VanDerWaalsContact O-CG2 3.29Å; L294-V299 WeakPolarHBondContact O-CG2 3.46Å; L294-V299 PolarHBondContact O-N 3.27Å; E296-V299 VanDerWaalsContact CA-O 3.26Å; E296-V299 WeakPolarHBondContact CA-O 3.49Å; E296-V299 PolarHBondContact N-O 3.24Å; V299-V326 HydrophobicContact CB-CG1 4.05Å; V299-V326 HydrophobicContact CG1-CG1 4.16Å; V299-R327 WeakPolarHBondContact CA-O 3.28Å; V299-R327 WeakPolarHBondContact CB-O 3.31Å; V299-L328 HydrophobicContact CG1-CD2 3.72Å; V299-L359 HydrophobicContact CG1-CD2 4.25Å; V299-L359 HydrophobicContact CG2-CD2 3.82Å; V299-L363 HydrophobicContact CG1-CD1 3.96Å
300H97.2Very high96.3Very high28 Ų2836.4 Ų36.413%0.1320%0.197CC..EExtended strand (participates in β ladder)trans-128.2134160.3171.656.2000108.7E296 V326 R327 W423 F424E296-H300 IonicContact OE1-CE1 3.72Å; E296-H300 IonicContact OE1-CG 3.65Å; E296-H300 IonicContact OE1-ND1 2.72Å; E296-H300 PolarHBondContact OE1-ND1 3.01Å; H300-V326 WeakPolarHBondContact O-CA 3.43Å; H300-R327 HydrophobicContact CB-CB 4.48Å; H300-R327 PolarHBondContact N-O 3.03Å; H300-R327 PolarHBondContact O-N 2.92Å; H300-W423 HydrophobicContact CB-CE3 3.94Å; H300-W423 HydrophobicContact CB-CZ3 3.87Å; H300-F424 PolarHBondContact CD2-O 2.77Å; H300-F424 VanDerWaalsContact CD2-O 3.23Å; H300-F424 AromaticContact CE1-CD1 3.8Å; H300-F424 AromaticContact ND1-CD1 3.66Å
301C94.9Very high96.2Very high9 Ų938.1 Ų38.16%0.06121%0.206CC..EExtended strand (participates in β ladder)trans-128.8140.8-169.4-68.90000112F145 V324 Y325 V326 Y355F145-C301 HydrophobicContact CD1-CB 4.26Å; F145-C301 HydrophobicContact CE1-CB 3.75Å; F145-C301 HydrophobicContact CE2-CB 4.42Å; F145-C301 HydrophobicContact CZ-CB 3.84Å; C301-V324 HydrophobicContact CB-CG1 4.47Å; C301-Y325 WeakPolarHBondContact CA-O 3.43Å; C301-V326 VanDerWaalsContact SG-CG2 3.58Å; C301-Y355 HydrophobicContact CB-CE2 4.49Å; C301-Y355 PolarHBondContact SG-OH 3.25Å
302S93.3Very high96.2Very high16 Ų1641.7 Ų41.711%0.11223%0.227CC..EExtended strand (participates in β ladder)trans-139.9151.5-175.8175.90000111.1N304 Y325S302-N304 WeakPolarHBondContact CB-O 3.05Å; S302-N304 WeakPolarHBondContact OG-CA 3.49Å; S302-N304 PolarHBondContact OG-N 2.89Å; S302-N304 PolarHBondContact OG-O 2.75Å; S302-Y325 PolarHBondContact N-O 2.85Å; S302-Y325 PolarHBondContact O-N 2.88Å
303L92.5Very high96.1Very high37 Ų3742.1 Ų42.119%0.19423%0.229CC..SBendtrans-95.2-17.3165.9-57.3-175000112.1L141 F145 Y322 V324L141-L303 HydrophobicContact CB-CD1 4.01Å; L141-L303 HydrophobicContact CD2-CD1 3.65Å; L141-L303 HydrophobicContact CG-CD1 4.41Å; F145-L303 HydrophobicContact CE2-CD2 3.9Å; F145-L303 HydrophobicContact CE2-CG 3.74Å; F145-L303 HydrophobicContact CZ-CD2 3.62Å; F145-L303 HydrophobicContact CZ-CG 4.01Å; L303-Y322 HydrophobicContact CD1-CD1 4.07Å; L303-V324 HydrophobicContact CD2-CG2 3.85Å
304N92.4Very high96Very high124 Ų12444.7 Ų44.766%0.66325%0.246SC*.SBendtrans-80.9148165.8-59.2-28.7000109.3S302 Y325S302-N304 WeakPolarHBondContact CB-O 3.05Å; S302-N304 WeakPolarHBondContact OG-CA 3.49Å; S302-N304 PolarHBondContact OG-N 2.89Å; S302-N304 PolarHBondContact OG-O 2.75Å; N304-Y325 WeakPolarHBondContact O-CD2 3.18Å
305E94.3Very high95.9Very high144 Ų14444.9 Ų44.967%0.67325%0.247SC*.  trans-60.5136.1178.3-175.6143.4-106.300112.4Y325E305-Y325 HydrophobicContact CB-CD1 4.48Å; E305-Y325 HydrophobicContact CB-CE1 3.89Å; E305-Y325 HydrophobicContact CB-CE2 4.14Å; E305-Y325 HydrophobicContact CG-CD1 4.21Å; E305-Y325 HydrophobicContact CG-CE1 3.52Å; E305-Y325 WeakPolarHBondContact OE1-CE1 3.43Å; E305-Y325 VanDerWaalsContact OE1-CZ 3.27Å; E305-Y325 PolarHBondContact OE1-OH 2.89Å
306L93.1Very high95.7Very high25 Ų2549.8 Ų49.813%0.13127%0.273CS..  trans-118.6115174.5-56.3179.1000108.6D308 A309 R327L306-D308 PolarHBondContact O-N 2.88Å; L306-D308 VanDerWaalsContact O-N 3.11Å; L306-A309 HydrophobicContact CB-CB 4.24Å; L306-A309 VanDerWaalsContact O-CB 3.31Å; L306-A309 WeakPolarHBondContact O-CB 3.48Å; L306-A309 PolarHBondContact O-N 3.23Å; L306-R327 HydrophobicContact CD1-CG 4.09Å
307E92.8Very high95.4Very high206 Ų20650 Ų5096%0.96327%0.274SS*.THydrogen-bonded Turntrans-55.8-30.3-177.8-61.6-177.7167.200113.5
308D94.6Very high95.1Very high50 Ų5055.3 Ų55.327%0.26730%0.298SS..THydrogen-bonded Turntrans-109.829.5178.970.6-27.2000113.4L306 A310 R327 K427L306-D308 PolarHBondContact O-N 2.88Å; L306-D308 VanDerWaalsContact O-N 3.11Å; D308-A310 PolarHBondContact O-N 3.33Å; D308-R327 IonicContact OD1-CZ 3.2Å; D308-R327 IonicContact OD1-NE 3.58Å; D308-R327 PolarHBondContact OD1-NE 2.89Å; D308-R327 IonicContact OD1-NH2 2.7Å; D308-R327 PolarHBondContact OD1-NH2 2.96Å; D308-R327 IonicContact OD2-NE 2.74Å; D308-K427 WeakPolarHBondContact OD2-CE 3.33Å; D308-K427 IonicContact OD2-NZ 3.55Å; D308-K427 PolarHBondContact OD2-NZ 3.16Å
309A96.8Very high94.9Very high29 Ų2962.4 Ų62.424%0.2434%0.336CS..  trans-56.7127166.700000110.8L306 T312 Y325 V326L306-A309 HydrophobicContact CB-CB 4.24Å; L306-A309 VanDerWaalsContact O-CB 3.31Å; L306-A309 WeakPolarHBondContact O-CB 3.48Å; L306-A309 PolarHBondContact O-N 3.23Å; A309-T312 HydrophobicContact CB-CG2 3.98Å; A309-Y325 HydrophobicContact CB-CD1 4.19Å; A309-V326 CarbonylContact C-O 3.6Å
310A97.5Very high94.6Very high66 Ų6665.7 Ų65.755%0.54536%0.356SS..SBendtrans-76.7-26.5174.600000112.1D308 V326 L328D308-A310 PolarHBondContact O-N 3.33Å; A310-V326 PolarHBondContact N-O 3.36Å; A310-L328 HydrophobicContact CB-CD1 3.99Å; A310-L328 HydrophobicContact CB-CG 3.87Å
311L97.3Very high94.5Very high36 Ų3670.1 Ų70.119%0.18838%0.38CS..EExtended strand (participates in β ladder)trans-157.1158.4173.261.592.5000110.8F313 V326 L328 L359 I362 L363L311-F313 HydrophobicContact CD1-CD1 3.68Å; L311-F313 HydrophobicContact CD1-CE1 3.72Å; L311-V326 HydrophobicContact CD1-CB 3.7Å; L311-V326 HydrophobicContact CD1-CG1 4.26Å; L311-V326 HydrophobicContact CD1-CG2 3.78Å; L311-V326 HydrophobicContact CG-CB 4Å; L311-V326 HydrophobicContact CG-CG1 4.39Å; L311-V326 PolarHBondContact N-O 3.26Å; L311-V326 PolarHBondContact O-N 3.42Å; L311-L328 HydrophobicContact CD2-CD1 4.44Å; L311-L328 HydrophobicContact CD2-CD2 4.22Å; L311-L359 HydrophobicContact CD1-CD1 4.09Å; L311-I362 HydrophobicContact CD2-CG2 3.91Å; L311-L363 HydrophobicContact CD2-CD2 4.04Å
312T97.8Very high94.4Very high75 Ų7571.1 Ų71.146%0.4638%0.382SS..EExtended strand (participates in β ladder)trans-137.2151.2176730000110.1A309 V324 Y325A309-T312 HydrophobicContact CB-CG2 3.98Å; T312-V324 CarbonylContact C-O 3.49Å; T312-V324 WeakPolarHBondContact CA-O 3.46Å; T312-V324 WeakPolarHBondContact CB-O 3.34Å; T312-Y325 HydrophobicContact CG2-CD1 3.5Å; T312-Y325 HydrophobicContact CG2-CE1 3.95Å; T312-Y325 HydrophobicContact CG2-CG 4.2Å
313F97.8Very high94.6Very high10 Ų1073.7 Ų73.74%0.04439%0.392CS..EExtended strand (participates in β ladder)trans-159.6147.6172.456.9-86.7000113.3L311 V315 Q323 V324 V326 Y355 K358 L359 I362L311-F313 HydrophobicContact CD1-CD1 3.68Å; L311-F313 HydrophobicContact CD1-CE1 3.72Å; F313-V315 HydrophobicContact CD2-CG2 3.75Å; F313-V315 HydrophobicContact CE2-CG2 3.48Å; F313-V315 VanDerWaalsContact CE2-CG2 3.48Å; F313-Q323 PolarHBondContact O-NE2 2.86Å; F313-V324 HydrophobicContact CD2-CB 4.41Å; F313-V324 HydrophobicContact CE1-CB 4.47Å; F313-V324 HydrophobicContact CE1-CG1 4.26Å; F313-V324 HydrophobicContact CE2-CB 4.13Å; F313-V324 HydrophobicContact CE2-CG1 4.43Å; F313-V324 HydrophobicContact CE2-CG2 4.26Å; F313-V324 HydrophobicContact CZ-CB 4.14Å; F313-V324 HydrophobicContact CZ-CG1 3.98Å; F313-V324 PolarHBondContact N-O 3.48Å; F313-V324 WeakPolarHBondContact O-CB 3.39Å; F313-V324 PolarHBondContact O-N 3.49Å; F313-V326 HydrophobicContact CE1-CG2 3.73Å; F313-V326 HydrophobicContact CZ-CG2 4.39Å; F313-Y355 HydrophobicContact CE2-CD2 4.07Å; F313-Y355 AromaticContact CZ-CD2 3.87Å; F313-Y355 HydrophobicContact CZ-CD2 3.87Å; F313-Y355 AromaticContact CZ-CE2 3.93Å; F313-Y355 HydrophobicContact CZ-CE2 3.93Å; F313-K358 HydrophobicContact CD2-CB 4.5Å; F313-K358 HydrophobicContact CD2-CD 3.66Å; F313-K358 HydrophobicContact CD2-CG 3.84Å; F313-K358 HydrophobicContact CE2-CB 4.21Å; F313-K358 HydrophobicContact CE2-CD 4.19Å; F313-K358 HydrophobicContact CE2-CG 4.03Å; F313-K358 HydrophobicContact CG-CD 4.49Å; F313-L359 HydrophobicContact CE1-CB 4.24Å; F313-L359 HydrophobicContact CE1-CD1 3.95Å; F313-L359 HydrophobicContact CZ-CB 3.83Å; F313-L359 HydrophobicContact CZ-CD1 4.38Å; F313-I362 HydrophobicContact CB-CD1 4.2Å; F313-I362 HydrophobicContact CD1-CD1 3.51Å; F313-I362 HydrophobicContact CE1-CD1 4.04Å; F313-I362 HydrophobicContact CG-CD1 3.86Å
314P97.1Very high94.8Very high56 Ų5671.9 Ų71.936%0.36438%0.383SS..EExtended strand (participates in β ladder)trans-74.6144.9173.727.5-33.6000112.5I321 Y322 K358P314-I321 HydrophobicContact CB-CG2 3.55Å; P314-Y322 CarbonylContact C-O 3.57Å; P314-Y322 WeakPolarHBondContact CA-O 3.46Å; P314-K358 WeakPolarHBondContact O-CE 3.28Å; P314-K358 PolarHBondContact O-NZ 3.33Å
315V95.8Very high95Very high3 Ų367.7 Ų67.72%0.01836%0.358CS..EExtended strand (participates in β ladder)trans-124.7124.3171.6177.40000108.6F313 I321 Y322 V324 V354F313-V315 HydrophobicContact CD2-CG2 3.75Å; F313-V315 HydrophobicContact CE2-CG2 3.48Å; F313-V315 VanDerWaalsContact CE2-CG2 3.48Å; V315-I321 WeakPolarHBondContact O-CA 3.32Å; V315-Y322 PolarHBondContact N-O 3.33Å; V315-Y322 PolarHBondContact O-N 3.08Å; V315-V324 HydrophobicContact CB-CG2 4.32Å; V315-V324 HydrophobicContact CG2-CG2 3.65Å; V315-V354 HydrophobicContact CG1-CB 4.29Å; V315-V354 HydrophobicContact CG1-CG2 3.92Å
316L93.1Very high95.2Very high104 Ų10460.9 Ų60.955%0.54533%0.326SS..EExtended strand (participates in β ladder)trans-83.2123.7170.8-177.667.9000108.8V320 I321L316-V320 WeakPolarHBondContact CA-O 3.45Å; L316-I321 HydrophobicContact CD1-CG1 3.8Å
317F91.1Very high95.4Very high30 Ų3061.1 Ų61.113%0.13233%0.325CS..EExtended strand (participates in β ladder)trans-150.6127.2177.5-178.3-111.6000109.7T143 I144 D319 V320 Y322 K352 V354T143-F317 HydrophobicContact CG2-CE1 4.04Å; T143-F317 HydrophobicContact CG2-CZ 3.86Å; I144-F317 HydrophobicContact CD1-CB 4.01Å; I144-F317 HydrophobicContact CD1-CD1 3.74Å; I144-F317 HydrophobicContact CD1-CG 4.11Å; I144-F317 HydrophobicContact CG1-CB 4.39Å; I144-F317 HydrophobicContact CG1-CD1 3.49Å; I144-F317 VanDerWaalsContact CG1-CD1 3.49Å; I144-F317 HydrophobicContact CG1-CE1 3.87Å; I144-F317 HydrophobicContact CG1-CG 3.98Å; F317-D319 PolarHBondContact O-N 3.08Å; F317-V320 PolarHBondContact N-O 2.77Å; F317-V320 PolarHBondContact O-N 3.11Å; F317-V320 VanDerWaalsContact O-N 3.13Å; F317-Y322 HydrophobicContact CB-CD2 4.16Å; F317-Y322 HydrophobicContact CB-CE2 4.12Å; F317-Y322 HydrophobicContact CD1-CE2 4.32Å; F317-Y322 WeakPolarHBondContact O-CE2 3.31Å; F317-K352 HydrophobicContact CE2-CG 4.48Å; F317-V354 HydrophobicContact CB-CG2 4.42Å; F317-V354 HydrophobicContact CD2-CG2 3.87Å; F317-V354 HydrophobicContact CG-CG2 4.49Å
318Q92.1Very high95.7Very high110 Ų11053.7 Ų53.751%0.51429%0.292SS..THydrogen-bonded Turntrans48.948.9-175-59.8177.2-80.800111.8V320Q318-V320 PolarHBondContact O-N 2.77Å
319D92.9Very high95.9Very high153 Ų15351.3 Ų51.382%0.81828%0.279SS*.THydrogen-bonded Turntrans57.51.9-178.4-56.6-53.1000117.4F317F317-D319 PolarHBondContact O-N 3.08Å
320V92.9Very high95.9Very high69 Ų6951.1 Ų51.142%0.41828%0.275SS..EExtended strand (participates in β ladder)trans-96.6140.7172.5176.90000110.1L316 F317 Q318 Y322L316-V320 WeakPolarHBondContact CA-O 3.45Å; F317-V320 PolarHBondContact N-O 2.77Å; F317-V320 PolarHBondContact O-N 3.11Å; F317-V320 VanDerWaalsContact O-N 3.13Å; Q318-V320 PolarHBondContact O-N 2.77Å; V320-Y322 HydrophobicContact CB-CD2 4.4Å; V320-Y322 HydrophobicContact CB-CE2 3.64Å; V320-Y322 HydrophobicContact CG1-CD1 4.31Å; V320-Y322 HydrophobicContact CG1-CD2 4.15Å; V320-Y322 HydrophobicContact CG1-CE1 3.79Å; V320-Y322 HydrophobicContact CG1-CE2 3.63Å; V320-Y322 HydrophobicContact CG1-CG 4.47Å; V320-Y322 VanDerWaalsContact CG1-CZ 3.43Å
321I94.3Very high96Very high121 Ų12151.7 Ų51.762%0.62127%0.266SS*.EExtended strand (participates in β ladder)trans-96.8112.3174.5-60.6177000109.4P314 V315 L316P314-I321 HydrophobicContact CB-CG2 3.55Å; V315-I321 WeakPolarHBondContact O-CA 3.32Å; L316-I321 HydrophobicContact CD1-CG1 3.8Å
322Y93.8Very high96Very high29 Ų2950.9 Ų50.911%0.11426%0.261CS..EExtended strand (participates in β ladder)trans-97.2126.1176.5-61.5-83000110.6L141 I144 L303 P314 V315 F317 V320 V324L141-Y322 HydrophobicContact CD2-CD1 3.96Å; L141-Y322 HydrophobicContact CD2-CE1 3.58Å; I144-Y322 HydrophobicContact CD1-CD1 4.45Å; I144-Y322 HydrophobicContact CD1-CD2 3.45Å; I144-Y322 VanDerWaalsContact CD1-CD2 3.45Å; I144-Y322 HydrophobicContact CD1-CE2 3.84Å; I144-Y322 HydrophobicContact CD1-CG 3.78Å; L303-Y322 HydrophobicContact CD1-CD1 4.07Å; P314-Y322 CarbonylContact C-O 3.57Å; P314-Y322 WeakPolarHBondContact CA-O 3.46Å; V315-Y322 PolarHBondContact N-O 3.33Å; V315-Y322 PolarHBondContact O-N 3.08Å; F317-Y322 HydrophobicContact CB-CD2 4.16Å; F317-Y322 HydrophobicContact CB-CE2 4.12Å; F317-Y322 HydrophobicContact CD1-CE2 4.32Å; F317-Y322 WeakPolarHBondContact O-CE2 3.31Å; V320-Y322 HydrophobicContact CB-CD2 4.4Å; V320-Y322 HydrophobicContact CB-CE2 3.64Å; V320-Y322 HydrophobicContact CG1-CD1 4.31Å; V320-Y322 HydrophobicContact CG1-CD2 4.15Å; V320-Y322 HydrophobicContact CG1-CE1 3.79Å; V320-Y322 HydrophobicContact CG1-CE2 3.63Å; V320-Y322 HydrophobicContact CG1-CG 4.47Å; V320-Y322 VanDerWaalsContact CG1-CZ 3.43Å; Y322-V324 PolarHBondContact O-N 3.38Å
323Q96.2Very high96Very high70 Ų7051.4 Ų51.433%0.32725%0.254SS..EExtended strand (participates in β ladder)trans-82.4112.2174.5-177.450.86600109.5F313 Y325F313-Q323 PolarHBondContact O-NE2 2.86Å; Q323-Y325 HydrophobicContact CB-CE2 4.28Å; Q323-Y325 HydrophobicContact CG-CD2 4.42Å; Q323-Y325 HydrophobicContact CG-CE2 3.7Å
324V96.8Very high96Very high0 Ų055.6 Ų55.60%027%0.274CS..EExtended strand (participates in β ladder)trans-90.4135.3178.1-179.40000109.8F145 C301 L303 T312 F313 V315 Y322 V326 Y355F145-V324 HydrophobicContact CE1-CG1 4.13Å; F145-V324 HydrophobicContact CE1-CG2 4.42Å; F145-V324 HydrophobicContact CZ-CG1 4.01Å; F145-V324 HydrophobicContact CZ-CG2 4.35Å; C301-V324 HydrophobicContact CB-CG1 4.47Å; L303-V324 HydrophobicContact CD2-CG2 3.85Å; T312-V324 CarbonylContact C-O 3.49Å; T312-V324 WeakPolarHBondContact CA-O 3.46Å; T312-V324 WeakPolarHBondContact CB-O 3.34Å; F313-V324 HydrophobicContact CD2-CB 4.41Å; F313-V324 HydrophobicContact CE1-CB 4.47Å; F313-V324 HydrophobicContact CE1-CG1 4.26Å; F313-V324 HydrophobicContact CE2-CB 4.13Å; F313-V324 HydrophobicContact CE2-CG1 4.43Å; F313-V324 HydrophobicContact CE2-CG2 4.26Å; F313-V324 HydrophobicContact CZ-CB 4.14Å; F313-V324 HydrophobicContact CZ-CG1 3.98Å; F313-V324 PolarHBondContact N-O 3.48Å; F313-V324 WeakPolarHBondContact O-CB 3.39Å; F313-V324 PolarHBondContact O-N 3.49Å; V315-V324 HydrophobicContact CB-CG2 4.32Å; V315-V324 HydrophobicContact CG2-CG2 3.65Å; Y322-V324 PolarHBondContact O-N 3.38Å; V324-V326 HydrophobicContact CG1-CG2 3.75Å; V324-Y355 HydrophobicContact CG1-CD2 4.35Å; V324-Y355 HydrophobicContact CG1-CE2 4.18Å; V324-Y355 HydrophobicContact CG2-CD2 4.39Å
325Y97.2Very high96.1Very high36 Ų3653 Ų5314%0.14126%0.257CS..EExtended strand (participates in β ladder)trans-112.7132.1173.2-65-98.5000109.1C301 S302 N304 E305 A309 T312 Q323C301-Y325 WeakPolarHBondContact CA-O 3.43Å; S302-Y325 PolarHBondContact N-O 2.85Å; S302-Y325 PolarHBondContact O-N 2.88Å; N304-Y325 WeakPolarHBondContact O-CD2 3.18Å; E305-Y325 HydrophobicContact CB-CD1 4.48Å; E305-Y325 HydrophobicContact CB-CE1 3.89Å; E305-Y325 HydrophobicContact CB-CE2 4.14Å; E305-Y325 HydrophobicContact CG-CD1 4.21Å; E305-Y325 HydrophobicContact CG-CE1 3.52Å; E305-Y325 WeakPolarHBondContact OE1-CE1 3.43Å; E305-Y325 VanDerWaalsContact OE1-CZ 3.27Å; E305-Y325 PolarHBondContact OE1-OH 2.89Å; A309-Y325 HydrophobicContact CB-CD1 4.19Å; T312-Y325 HydrophobicContact CG2-CD1 3.5Å; T312-Y325 HydrophobicContact CG2-CE1 3.95Å; T312-Y325 HydrophobicContact CG2-CG 4.2Å; Q323-Y325 HydrophobicContact CB-CE2 4.28Å; Q323-Y325 HydrophobicContact CG-CD2 4.42Å; Q323-Y325 HydrophobicContact CG-CE2 3.7Å
326V97.8Very high96.3Very high0 Ų053.3 Ų53.30%026%0.259CS..EExtended strand (participates in β ladder)trans-130.4127.8-171.8-177.10000111.9V299 H300 C301 A309 A310 L311 F313 V324 L328 L359V299-V326 HydrophobicContact CB-CG1 4.05Å; V299-V326 HydrophobicContact CG1-CG1 4.16Å; H300-V326 WeakPolarHBondContact O-CA 3.43Å; C301-V326 VanDerWaalsContact SG-CG2 3.58Å; A309-V326 CarbonylContact C-O 3.6Å; A310-V326 PolarHBondContact N-O 3.36Å; L311-V326 HydrophobicContact CD1-CB 3.7Å; L311-V326 HydrophobicContact CD1-CG1 4.26Å; L311-V326 HydrophobicContact CD1-CG2 3.78Å; L311-V326 HydrophobicContact CG-CB 4Å; L311-V326 HydrophobicContact CG-CG1 4.39Å; L311-V326 PolarHBondContact N-O 3.26Å; L311-V326 PolarHBondContact O-N 3.42Å; F313-V326 HydrophobicContact CE1-CG2 3.73Å; F313-V326 HydrophobicContact CZ-CG2 4.39Å; V324-V326 HydrophobicContact CG1-CG2 3.75Å; V326-L328 HydrophobicContact CG1-CD2 3.95Å; V326-L359 HydrophobicContact CG1-CD1 4.21Å; V326-L359 HydrophobicContact CG2-CD1 4.37Å
327R97.9Very high96.5Very high31 Ų3152.4 Ų52.412%0.11725%0.252CS..EExtended strand (participates in β ladder)trans-98.3148.9161.3-61.4176.2175.8130.43.9109.6V299 H300 L306 D308 W423 F424V299-R327 WeakPolarHBondContact CA-O 3.28Å; V299-R327 WeakPolarHBondContact CB-O 3.31Å; H300-R327 HydrophobicContact CB-CB 4.48Å; H300-R327 PolarHBondContact N-O 3.03Å; H300-R327 PolarHBondContact O-N 2.92Å; L306-R327 HydrophobicContact CD1-CG 4.09Å; D308-R327 IonicContact OD1-CZ 3.2Å; D308-R327 IonicContact OD1-NE 3.58Å; D308-R327 PolarHBondContact OD1-NE 2.89Å; D308-R327 IonicContact OD1-NH2 2.7Å; D308-R327 PolarHBondContact OD1-NH2 2.96Å; D308-R327 IonicContact OD2-NE 2.74Å; R327-W423 HydrophobicContact CB-CH2 3.63Å; R327-W423 HydrophobicContact CB-CZ3 3.76Å; R327-F424 WeakPolarHBondContact CD-O 3.34Å; R327-F424 PolarHBondContact NH1-O 2.76Å
328L98.4Very high96.9Very high49 Ų4955 Ų5526%0.25726%0.261SS..EExtended strand (participates in β ladder)trans-108.7129.9179.5-53.6176000109.3V299 A310 L311 V326 F332 L363 W423V299-L328 HydrophobicContact CG1-CD2 3.72Å; A310-L328 HydrophobicContact CB-CD1 3.99Å; A310-L328 HydrophobicContact CB-CG 3.87Å; L311-L328 HydrophobicContact CD2-CD1 4.44Å; L311-L328 HydrophobicContact CD2-CD2 4.22Å; V326-L328 HydrophobicContact CG1-CD2 3.95Å; L328-F332 HydrophobicContact CB-CD1 3.95Å; L328-F332 HydrophobicContact CB-CE1 3.77Å; L328-F332 HydrophobicContact CB-CZ 4.49Å; L328-F332 HydrophobicContact CD1-CE1 3.76Å; L328-F332 HydrophobicContact CD1-CZ 4.01Å; L328-F332 HydrophobicContact CD2-CE1 4.42Å; L328-F332 HydrophobicContact CD2-CZ 4.33Å; L328-F332 HydrophobicContact CG-CE1 4.18Å; L328-F332 HydrophobicContact CG-CZ 4.5Å; L328-L363 HydrophobicContact CD2-CD2 3.63Å; L328-W423 WeakPolarHBondContact O-CH2 3.46Å
329R98.6Very high97.2Very high1 Ų149.8 Ų49.80%0.00424%0.236CC..  trans-62.3137.9178.7-170.5171.2-169.3149.314.4109.6E296 T297 L298 F331 F332 E421 W423 D429 L432E296-R329 PolarHBondContact O-NH1 3.09Å; T297-R329 WeakPolarHBondContact O-CD 3.37Å; T297-R329 PolarHBondContact O-NH1 2.92Å; T297-R329 VanDerWaalsContact O-NH1 3.09Å; L298-R329 VanDerWaalsContact O-CB 3.24Å; L298-R329 WeakPolarHBondContact O-CB 3.46Å; L298-R329 PolarHBondContact O-N 3.14Å; R329-F331 PolarHBondContact O-N 2.96Å; R329-F332 WeakPolarHBondContact O-CB 3.23Å; R329-F332 WeakPolarHBondContact O-CD1 3.29Å; R329-F332 PolarHBondContact O-N 2.7Å; R329-E421 VanDerWaalsContact CZ-O 3.31Å; R329-E421 PolarHBondContact NH1-O 3.02Å; R329-E421 PolarHBondContact NH2-O 2.88Å; R329-W423 HydrophobicContact CB-CD2 3.88Å; R329-W423 HydrophobicContact CB-CE3 3.85Å; R329-W423 HydrophobicContact CB-CG 4.31Å; R329-W423 HydrophobicContact CB-CZ3 4.22Å; R329-W423 HydrophobicContact CG-CB 4.18Å; R329-W423 HydrophobicContact CG-CD2 3.79Å; R329-W423 HydrophobicContact CG-CE3 4.27Å; R329-W423 HydrophobicContact CG-CG 3.73Å; R329-W423 VanDerWaalsContact CZ-CB 3.47Å; R329-D429 IonicContact CZ-OD1 3.8Å; R329-D429 IonicContact CZ-OD2 2.73Å; R329-D429 VanDerWaalsContact NE-CG 3.33Å; R329-D429 IonicContact NE-OD1 2.76Å; R329-D429 PolarHBondContact NE-OD1 3.19Å; R329-D429 IonicContact NE-OD2 2.66Å; R329-D429 PolarHBondContact NE-OD2 3.21Å; R329-D429 IonicContact NH2-OD1 3.62Å; R329-D429 IonicContact NH2-OD2 2.58Å; R329-D429 PolarHBondContact NH2-OD2 3Å; R329-L432 HydrophobicContact CB-CD1 4.34Å; R329-L432 HydrophobicContact CG-CD1 4.13Å
330P98.6Very high97.4Very high24 Ų2444.1 Ų44.116%0.15621%0.208CC..THydrogen-bonded Turntrans-48.1138.3172.9-30.736.7000111.9F332 D429P330-F332 PolarHBondContact O-N 2.81Å; P330-F332 VanDerWaalsContact O-N 3.11Å; P330-D429 WeakPolarHBondContact CB-O 3.47Å; P330-D429 HydrophobicContact CG-CB 4.06Å
331F98.6Very high97.6Very high79 Ų7946.9 Ų46.935%0.34622%0.217SC..THydrogen-bonded Turntrans62.510.6177.8-42.2-72.9000116.7R329 R333 E334 F335 D429 N430 L433R329-F331 PolarHBondContact O-N 2.96Å; F331-R333 PolarHBondContact O-N 2.91Å; F331-E334 WeakPolarHBondContact CA-OE2 3.37Å; F331-E334 PolarHBondContact O-N 3.47Å; F331-F335 VanDerWaalsContact O-CB 3.31Å; F331-F335 WeakPolarHBondContact O-CB 3.47Å; F331-F335 PolarHBondContact O-N 2.78Å; F331-D429 WeakPolarHBondContact CE2-O 3.49Å; F331-N430 HydrophobicContact CD2-CB 4.48Å; F331-N430 HydrophobicContact CE2-CB 4.23Å; F331-L433 HydrophobicContact CB-CD1 4.23Å; F331-L433 HydrophobicContact CB-CD2 3.72Å; F331-L433 HydrophobicContact CB-CG 3.72Å; F331-L433 HydrophobicContact CD1-CD1 3.79Å; F331-L433 HydrophobicContact CD1-CD2 4.34Å; F331-L433 HydrophobicContact CD1-CG 4.24Å; F331-L433 HydrophobicContact CD2-CD1 3.52Å; F331-L433 HydrophobicContact CD2-CG 3.71Å; F331-L433 HydrophobicContact CE1-CD1 3.98Å; F331-L433 HydrophobicContact CE2-CD1 3.73Å; F331-L433 HydrophobicContact CE2-CG 4.41Å; F331-L433 HydrophobicContact CG-CD1 3.54Å; F331-L433 HydrophobicContact CG-CD2 3.95Å; F331-L433 HydrophobicContact CG-CG 3.6Å; F331-L433 HydrophobicContact CZ-CD1 3.95Å
332F97.9Very high97.8Very high18 Ų1842.7 Ų42.78%0.07920%0.195CC..Hα-helixtrans-59.4-34.3-179.789.6-73.8000113.1L328 R329 P330 L336 L363 L432L328-F332 HydrophobicContact CB-CD1 3.95Å; L328-F332 HydrophobicContact CB-CE1 3.77Å; L328-F332 HydrophobicContact CB-CZ 4.49Å; L328-F332 HydrophobicContact CD1-CE1 3.76Å; L328-F332 HydrophobicContact CD1-CZ 4.01Å; L328-F332 HydrophobicContact CD2-CE1 4.42Å; L328-F332 HydrophobicContact CD2-CZ 4.33Å; L328-F332 HydrophobicContact CG-CE1 4.18Å; L328-F332 HydrophobicContact CG-CZ 4.5Å; R329-F332 WeakPolarHBondContact O-CB 3.23Å; R329-F332 WeakPolarHBondContact O-CD1 3.29Å; R329-F332 PolarHBondContact O-N 2.7Å; P330-F332 PolarHBondContact O-N 2.81Å; P330-F332 VanDerWaalsContact O-N 3.11Å; F332-L336 HydrophobicContact CD2-CD1 4.02Å; F332-L336 HydrophobicContact CE2-CD1 4.41Å; F332-L336 WeakPolarHBondContact O-CB 3.46Å; F332-L336 VanDerWaalsContact O-CG 3.24Å; F332-L336 WeakPolarHBondContact O-CG 3.28Å; F332-L336 PolarHBondContact O-N 2.58Å; F332-L336 VanDerWaalsContact O-N 3.07Å; F332-L363 HydrophobicContact CE2-CB 4.44Å; F332-L363 HydrophobicContact CE2-CD1 4.18Å; F332-L363 HydrophobicContact CE2-CD2 4.15Å; F332-L363 HydrophobicContact CE2-CG 4.49Å; F332-L363 HydrophobicContact CZ-CD2 4.09Å; F332-L432 HydrophobicContact CB-CD1 3.82Å
333R97.7Very high98.1Very high87 Ų8741.5 Ų41.533%0.32819%0.19SC..Hα-helixtrans-71.2-49.5179.2171162.3-64.5-67.7-8.6110.5F331 F335 L336 E337 L363F331-R333 PolarHBondContact O-N 2.91Å; R333-F335 VanDerWaalsContact C-N 3.28Å; R333-F335 PolarHBondContact O-N 3.08Å; R333-L336 PolarHBondContact O-N 3.31Å; R333-E337 VanDerWaalsContact CD-OE1 3.24Å; R333-E337 WeakPolarHBondContact CD-OE1 3.31Å; R333-E337 VanDerWaalsContact CG-CD 3.45Å; R333-E337 HydrophobicContact CG-CG 4.25Å; R333-E337 WeakPolarHBondContact CG-OE1 3.41Å; R333-E337 IonicContact CZ-OE1 2.76Å; R333-E337 IonicContact NE-OE1 3.49Å; R333-E337 IonicContact NH1-OE1 3.71Å; R333-E337 PolarHBondContact NH1-OE1 3.12Å; R333-E337 VanDerWaalsContact O-CB 3.28Å; R333-E337 WeakPolarHBondContact O-CB 3.33Å; R333-E337 WeakPolarHBondContact O-CG 3.42Å; R333-E337 PolarHBondContact O-N 3.22Å; R333-L363 PolarHBondContact NH2-O 2.98Å
334E98.5Very high98.2Very high98 Ų9838.2 Ų38.246%0.45818%0.175SC..Hα-helixtrans-61.1-38.9179.3-61.693.1132.400111.1F331 R338F331-E334 WeakPolarHBondContact CA-OE2 3.37Å; F331-E334 PolarHBondContact O-N 3.47Å; E334-R338 VanDerWaalsContact O-CB 3.28Å; E334-R338 WeakPolarHBondContact O-CB 3.48Å; E334-R338 PolarHBondContact O-N 3.11Å
335F98.8Very high98.3Very high0 Ų038.3 Ų38.30%018%0.175CC..Hα-helixtrans-60.8-53.5171.3179.6-97.4000112.2L290 L292 F331 R333 E337 R338 M339 I403 L432 L435 I436 L439L290-F335 HydrophobicContact CD2-CZ 4.3Å; L292-F335 HydrophobicContact CD1-CE1 3.99Å; L292-F335 HydrophobicContact CD2-CE1 3.93Å; L292-F335 HydrophobicContact CD2-CZ 4.33Å; F331-F335 VanDerWaalsContact O-CB 3.31Å; F331-F335 WeakPolarHBondContact O-CB 3.47Å; F331-F335 PolarHBondContact O-N 2.78Å; R333-F335 VanDerWaalsContact C-N 3.28Å; R333-F335 PolarHBondContact O-N 3.08Å; F335-E337 PolarHBondContact O-N 3.08Å; F335-R338 PolarHBondContact O-N 3.44Å; F335-M339 HydrophobicContact CD1-CG 4.35Å; F335-M339 HydrophobicContact CD2-CG 4.19Å; F335-M339 HydrophobicContact CE1-CG 4.05Å; F335-M339 HydrophobicContact CE2-CG 3.89Å; F335-M339 HydrophobicContact CG-CG 4.41Å; F335-M339 HydrophobicContact CZ-CG 3.81Å; F335-M339 WeakPolarHBondContact O-CB 3.28Å; F335-M339 VanDerWaalsContact O-CG 3.29Å; F335-M339 WeakPolarHBondContact O-CG 3.45Å; F335-M339 PolarHBondContact O-N 3.26Å; F335-I403 HydrophobicContact CZ-CD1 3.83Å; F335-L432 HydrophobicContact CB-CB 4.08Å; F335-L432 HydrophobicContact CB-CD1 4.48Å; F335-L432 HydrophobicContact CD1-CD2 4.27Å; F335-L432 HydrophobicContact CD2-CB 4Å; F335-L432 HydrophobicContact CD2-CD2 4.49Å; F335-L432 WeakPolarHBondContact CD2-O 3.45Å; F335-L432 HydrophobicContact CE1-CD2 4.35Å; F335-L432 HydrophobicContact CG-CB 4.04Å; F335-L432 HydrophobicContact CG-CD2 4.34Å; F335-L435 HydrophobicContact CE2-CB 4.34Å; F335-I436 HydrophobicContact CD2-CD1 4.21Å; F335-I436 HydrophobicContact CD2-CG1 3.7Å; F335-I436 HydrophobicContact CE2-CG1 4.2Å; F335-L439 HydrophobicContact CE2-CD1 3.73Å; F335-L439 HydrophobicContact CZ-CD1 3.81Å
336L98.6Very high98.3Very high11 Ų1136.6 Ų36.66%0.05817%0.169CC..Hα-helixtrans-64.5-38.6179.1-71.2172.7000112.6L292 F332 R333 R338 S340 I345 L369L292-L336 HydrophobicContact CD1-CD2 3.5Å; F332-L336 HydrophobicContact CD2-CD1 4.02Å; F332-L336 HydrophobicContact CE2-CD1 4.41Å; F332-L336 WeakPolarHBondContact O-CB 3.46Å; F332-L336 VanDerWaalsContact O-CG 3.24Å; F332-L336 WeakPolarHBondContact O-CG 3.28Å; F332-L336 PolarHBondContact O-N 2.58Å; F332-L336 VanDerWaalsContact O-N 3.07Å; R333-L336 PolarHBondContact O-N 3.31Å; L336-R338 VanDerWaalsContact C-N 3.34Å; L336-S340 WeakPolarHBondContact O-CB 3.27Å; L336-S340 PolarHBondContact O-N 3.22Å; L336-S340 PolarHBondContact O-OG 3.11Å; L336-I345 HydrophobicContact CD2-CD1 3.83Å; L336-I345 HydrophobicContact CD2-CG2 4.31Å; L336-L369 HydrophobicContact CB-CB 4.36Å; L336-L369 HydrophobicContact CB-CD1 4Å
337E98.3Very high98.4Very high85 Ų8536.7 Ų36.740%0.39717%0.169SC..Hα-helixtrans-69.9-29.7177.8-77.5173-166.100112.1R333 F335 Q341 L369R333-E337 VanDerWaalsContact CD-OE1 3.24Å; R333-E337 WeakPolarHBondContact CD-OE1 3.31Å; R333-E337 VanDerWaalsContact CG-CD 3.45Å; R333-E337 HydrophobicContact CG-CG 4.25Å; R333-E337 WeakPolarHBondContact CG-OE1 3.41Å; R333-E337 IonicContact CZ-OE1 2.76Å; R333-E337 IonicContact NE-OE1 3.49Å; R333-E337 IonicContact NH1-OE1 3.71Å; R333-E337 PolarHBondContact NH1-OE1 3.12Å; R333-E337 VanDerWaalsContact O-CB 3.28Å; R333-E337 WeakPolarHBondContact O-CB 3.33Å; R333-E337 WeakPolarHBondContact O-CG 3.42Å; R333-E337 PolarHBondContact O-N 3.22Å; F335-E337 PolarHBondContact O-N 3.08Å; E337-Q341 WeakPolarHBondContact O-CG 3.31Å; E337-Q341 PolarHBondContact O-NE2 2.98Å; E337-L369 HydrophobicContact CB-CD2 4.41Å; E337-L369 HydrophobicContact CG-CD1 4.13Å; E337-L369 HydrophobicContact CG-CD2 3.58Å
338R98.5Very high98.4Very high85 Ų8535.2 Ų35.232%0.32116%0.163SC..Hα-helixtrans-79.3-47.7171.4-175.856.6-176.4134.66.6112.3E334 F335 L336 Q341 M342 I436 E440E334-R338 VanDerWaalsContact O-CB 3.28Å; E334-R338 WeakPolarHBondContact O-CB 3.48Å; E334-R338 PolarHBondContact O-N 3.11Å; F335-R338 PolarHBondContact O-N 3.44Å; L336-R338 VanDerWaalsContact C-N 3.34Å; R338-Q341 WeakPolarHBondContact O-CB 3.45Å; R338-Q341 PolarHBondContact O-N 3.26Å; R338-M342 HydrophobicContact CG-CE 4.17Å; R338-I436 HydrophobicContact CG-CG2 4.13Å; R338-E440 IonicContact CZ-OE1 3.64Å; R338-E440 IonicContact NE-OE1 2.68Å; R338-E440 PolarHBondContact NE-OE1 2.9Å; R338-E440 IonicContact NH2-OE1 2.76Å; R338-E440 PolarHBondContact NH2-OE1 3.25Å
339M98.6Very high98.4Very high0 Ų032.9 Ų32.90%015%0.151CC..Hα-helixtrans-67.9-35.6-176-70.4-60.6104.800113.2L290 F335 Q341 M342 Y343 I345 I436 L439 E440L290-M339 HydrophobicContact CD2-CB 3.94Å; L290-M339 HydrophobicContact CD2-CG 3.82Å; L290-M339 HydrophobicContact CD2-SD 4.06Å; F335-M339 HydrophobicContact CD1-CG 4.35Å; F335-M339 HydrophobicContact CD2-CG 4.19Å; F335-M339 HydrophobicContact CE1-CG 4.05Å; F335-M339 HydrophobicContact CE2-CG 3.89Å; F335-M339 HydrophobicContact CG-CG 4.41Å; F335-M339 HydrophobicContact CZ-CG 3.81Å; F335-M339 WeakPolarHBondContact O-CB 3.28Å; F335-M339 VanDerWaalsContact O-CG 3.29Å; F335-M339 WeakPolarHBondContact O-CG 3.45Å; F335-M339 PolarHBondContact O-N 3.26Å; M339-Q341 PolarHBondContact O-N 2.94Å; M339-Q341 VanDerWaalsContact O-N 3.08Å; M339-M342 HydrophobicContact CE-CE 3.51Å; M339-M342 PolarHBondContact O-N 2.91Å; M339-M342 HydrophobicContact SD-CE 4.44Å; M339-Y343 HydrophobicContact CB-CD2 4.45Å; M339-Y343 PolarHBondContact O-N 3.34Å; M339-Y343 HydrophobicContact SD-CD2 3.79Å; M339-Y343 HydrophobicContact SD-CE2 3.7Å; M339-I345 HydrophobicContact CB-CD1 3.91Å; M339-I436 HydrophobicContact CE-CB 4.36Å; M339-I436 HydrophobicContact CE-CG1 4.23Å; M339-I436 HydrophobicContact CE-CG2 3.96Å; M339-L439 HydrophobicContact CE-CB 4.21Å; M339-L439 HydrophobicContact CE-CD1 4.49Å; M339-L439 HydrophobicContact CG-CD1 4.39Å; M339-L439 HydrophobicContact SD-CB 3.68Å; M339-L439 HydrophobicContact SD-CD1 3.52Å; M339-L439 VanDerWaalsContact SD-CD1 3.52Å; M339-L439 HydrophobicContact SD-CG 4.22Å; M339-E440 HydrophobicContact CE-CG 4.45Å
340S97.9Very high98.3Very high33 Ų3333 Ų3323%0.23115%0.153CC..THydrogen-bonded Turntrans-65.1-14-178.857.40000114.1L336L336-S340 WeakPolarHBondContact O-CB 3.27Å; L336-S340 PolarHBondContact O-N 3.22Å; L336-S340 PolarHBondContact O-OG 3.11Å
341Q97.7Very high98.2Very high127 Ų12731.9 Ų31.959%0.59315%0.145SC*.THydrogen-bonded Turntrans-76.7-22.4173.2-57169.824.400113.1E337 R338 M339E337-Q341 WeakPolarHBondContact O-CG 3.31Å; E337-Q341 PolarHBondContact O-NE2 2.98Å; R338-Q341 WeakPolarHBondContact O-CB 3.45Å; R338-Q341 PolarHBondContact O-N 3.26Å; M339-Q341 PolarHBondContact O-N 2.94Å; M339-Q341 VanDerWaalsContact O-N 3.08Å
342M98.1Very high98.1Very high34 Ų3431 Ų3117%0.16714%0.141CC..THydrogen-bonded Turntrans-123.9-22.5-169.3-62.5176.3-65.600113.1P286 R338 M339 E440 V443P286-M342 VanDerWaalsContact CB-O 3.29Å; P286-M342 WeakPolarHBondContact CB-O 3.16Å; R338-M342 HydrophobicContact CG-CE 4.17Å; M339-M342 HydrophobicContact CE-CE 3.51Å; M339-M342 PolarHBondContact O-N 2.91Å; M339-M342 HydrophobicContact SD-CE 4.44Å; M342-E440 HydrophobicContact CE-CG 3.74Å; M342-E440 HydrophobicContact SD-CG 4.11Å; M342-V443 HydrophobicContact CB-CG2 4.42Å
343Y98.8Very high98.1Very high3 Ų334.5 Ų34.51%0.01216%0.156CC..SBendtrans-124.9145.3-175.8-71.2-87.3000112.6F288 L290 M339 I345 I401 L439 V443F288-Y343 HydrophobicContact CB-CD1 3.45Å; F288-Y343 VanDerWaalsContact CB-CD1 3.45Å; F288-Y343 HydrophobicContact CB-CE1 3.58Å; F288-Y343 HydrophobicContact CB-CG 4.43Å; F288-Y343 HydrophobicContact CD1-CE1 4.34Å; F288-Y343 HydrophobicContact CG-CE1 4.21Å; L290-Y343 HydrophobicContact CB-CD1 3.62Å; L290-Y343 HydrophobicContact CB-CD2 4.42Å; L290-Y343 HydrophobicContact CB-CE1 4.3Å; L290-Y343 HydrophobicContact CB-CG 3.66Å; L290-Y343 HydrophobicContact CD2-CD2 4.28Å; L290-Y343 HydrophobicContact CD2-CG 4.33Å; M339-Y343 HydrophobicContact CB-CD2 4.45Å; M339-Y343 PolarHBondContact O-N 3.34Å; M339-Y343 HydrophobicContact SD-CD2 3.79Å; M339-Y343 HydrophobicContact SD-CE2 3.7Å; Y343-I345 PolarHBondContact O-N 2.76Å; Y343-I345 VanDerWaalsContact O-N 3.1Å; Y343-I401 HydrophobicContact CE1-CD1 3.76Å; Y343-I401 WeakPolarHBondContact OH-CD1 3.45Å; Y343-L439 HydrophobicContact CE2-CB 3.93Å; Y343-L439 WeakPolarHBondContact OH-CA 3.18Å; Y343-L439 PolarHBondContact OH-O 2.83Å; Y343-V443 HydrophobicContact CD2-CG2 4.4Å; Y343-V443 HydrophobicContact CE1-CG2 4.03Å; Y343-V443 HydrophobicContact CE2-CG2 3.68Å; Y343-V443 VanDerWaalsContact CZ-CG2 3.48Å
344E98.6Very high98Very high2 Ų233.8 Ų33.81%0.00916%0.162CC..EExtended strand (participates in β ladder)trans-6998.6155.7-178.7-173.4-123.900109K281 T285 F288 S289 L290 I346 R371 H372 R395K281-E344 VanDerWaalsContact CE-CD 3.45Å; K281-E344 WeakPolarHBondContact CE-OE2 3.04Å; K281-E344 IonicContact NZ-OE2 2.74Å; T285-E344 HydrophobicContact CG2-CB 3.72Å; T285-E344 HydrophobicContact CG2-CG 3.76Å; T285-E344 VanDerWaalsContact CG2-OE1 3.31Å; T285-E344 WeakPolarHBondContact CG2-OE1 3.39Å; F288-E344 PolarHBondContact O-N 3.22Å; S289-E344 WeakPolarHBondContact CA-O 3.48Å; S289-E344 PolarHBondContact OG-OE2 3.13Å; L290-E344 PolarHBondContact N-O 2.97Å; E344-I346 HydrophobicContact CG-CG1 4.27Å; E344-I346 PolarHBondContact O-N 3.19Å; E344-R371 HydrophobicContact CG-CB 4.35Å; E344-H372 IonicContact OE1-CD2 2.9Å; E344-H372 IonicContact OE1-NE2 3.75Å; E344-H372 PolarHBondContact OE1-NE2 3.33Å; E344-R395 IonicContact OE1-CZ 3.44Å; E344-R395 IonicContact OE1-NE 3.35Å; E344-R395 PolarHBondContact OE1-NE 2.89Å; E344-R395 IonicContact OE1-NH2 2.6Å; E344-R395 PolarHBondContact OE1-NH2 2.77Å; E344-R395 IonicContact OE2-CZ 2.88Å; E344-R395 IonicContact OE2-NE 3.55Å; E344-R395 PolarHBondContact OE2-NE 2.53Å; E344-R395 IonicContact OE2-NH2 2.66Å
345I98.8Very high97.9Very high2 Ų229.1 Ų29.11%0.0114%0.14CC..EExtended strand (participates in β ladder)trans-73.3123.5175.1-58.5-173.5000110.3L290 L292 L336 M339 Y343 L347 L369 V370 R371 H372L290-I345 WeakPolarHBondContact O-CA 3.41Å; L292-I345 HydrophobicContact CD1-CG2 3.85Å; L292-I345 HydrophobicContact CG-CG2 4.43Å; L336-I345 HydrophobicContact CD2-CD1 3.83Å; L336-I345 HydrophobicContact CD2-CG2 4.31Å; M339-I345 HydrophobicContact CB-CD1 3.91Å; Y343-I345 PolarHBondContact O-N 2.76Å; Y343-I345 VanDerWaalsContact O-N 3.1Å; I345-L347 HydrophobicContact CG2-CD2 3.75Å; I345-L369 WeakPolarHBondContact CB-O 3.47Å; I345-V370 HydrophobicContact CG2-CG2 4.36Å; I345-R371 PolarHBondContact O-N 3.15Å; I345-H372 PolarHBondContact O-N 2.95Å
346I98.8Very high97.8Very high0 Ų029.1 Ų29.10%014%0.14CC..EExtended strand (participates in β ladder)trans-117.9113.9175-57.6159.1000106.6L278 L290 V291 L292 E344 H372 L374 L393L278-I346 HydrophobicContact CD1-CD1 3.59Å; L278-I346 HydrophobicContact CD1-CG1 3.94Å; L278-I346 HydrophobicContact CD1-CG2 4.26Å; L290-I346 PolarHBondContact O-N 2.96Å; V291-I346 CarbonylContact C-O 3.54Å; V291-I346 VanDerWaalsContact CA-O 3.25Å; V291-I346 WeakPolarHBondContact CA-O 3.47Å; V291-I346 HydrophobicContact CG2-CB 4.31Å; V291-I346 HydrophobicContact CG2-CD1 4.14Å; L292-I346 PolarHBondContact N-O 3.49Å; E344-I346 HydrophobicContact CG-CG1 4.27Å; E344-I346 PolarHBondContact O-N 3.19Å; I346-H372 HydrophobicContact CG1-CB 4.23Å; I346-H372 HydrophobicContact CG2-CB 4.21Å; I346-L374 HydrophobicContact CG2-CD1 4.17Å; I346-L393 HydrophobicContact CD1-CD1 4.42Å; I346-L393 HydrophobicContact CG2-CD2 4.43Å
347L98.7Very high97.7Very high1 Ų130.5 Ų30.51%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-78125.4166.8-93.9-78.6000107.9L292 L294 L298 I345 L360 V370 H372 R373 L374L292-L347 HydrophobicContact CB-CD1 4.45Å; L292-L347 HydrophobicContact CB-CD2 4.25Å; L292-L347 HydrophobicContact CD1-CD2 4.36Å; L292-L347 WeakPolarHBondContact O-CA 3.5Å; L294-L347 HydrophobicContact CB-CD1 4.12Å; L294-L347 HydrophobicContact CD1-CD1 4.25Å; L298-L347 HydrophobicContact CD1-CD1 4.07Å; I345-L347 HydrophobicContact CG2-CD2 3.75Å; L347-L360 HydrophobicContact CB-CD1 3.98Å; L347-L360 HydrophobicContact CD1-CD1 4.42Å; L347-L360 HydrophobicContact CD1-CD2 4.2Å; L347-L360 HydrophobicContact CG-CD1 3.97Å; L347-L360 HydrophobicContact CG-CD2 3.96Å; L347-V370 HydrophobicContact CB-CG1 4Å; L347-V370 HydrophobicContact CD2-CB 4.29Å; L347-V370 HydrophobicContact CD2-CG1 3.78Å; L347-V370 HydrophobicContact CD2-CG2 3.53Å; L347-V370 HydrophobicContact CG-CG1 4.03Å; L347-V370 HydrophobicContact CG-CG2 4.2Å; L347-H372 PolarHBondContact N-O 3.25Å; L347-R373 CarbonylContact O-C 3.56Å; L347-R373 WeakPolarHBondContact O-CA 3.45Å; L347-L374 PolarHBondContact O-N 3.4Å
348F98.8Very high97.6Very high0 Ų030.5 Ų30.50%015%0.146CC..EExtended strand (participates in β ladder)trans-134.198.7175.1-167.2-1.9000108.6V291 L292 L374 H378 C379 K388 I392 L393V291-F348 HydrophobicContact CG1-CB 3.52Å; V291-F348 HydrophobicContact CG1-CD2 4.2Å; V291-F348 HydrophobicContact CG1-CG 4.39Å; L292-F348 PolarHBondContact O-N 3.45Å; F348-L374 WeakPolarHBondContact CA-O 3.25Å; F348-L374 HydrophobicContact CB-CB 4.11Å; F348-L374 HydrophobicContact CD1-CB 3.46Å; F348-L374 VanDerWaalsContact CD1-CB 3.46Å; F348-L374 HydrophobicContact CD1-CD1 4.41Å; F348-L374 HydrophobicContact CD2-CB 4.44Å; F348-L374 HydrophobicContact CD2-CD1 3.95Å; F348-L374 HydrophobicContact CE1-CB 3.94Å; F348-L374 HydrophobicContact CE2-CD1 4.2Å; F348-L374 HydrophobicContact CG-CB 3.75Å; F348-L374 HydrophobicContact CG-CD1 4.06Å; F348-H378 HydrophobicContact CE1-CB 3.89Å; F348-H378 HydrophobicContact CZ-CB 4.09Å; F348-C379 VanDerWaalsContact CE1-SG 3.52Å; F348-K388 HydrophobicContact CD1-CD 4.39Å; F348-K388 HydrophobicContact CD1-CG 4.13Å; F348-K388 HydrophobicContact CD2-CB 3.81Å; F348-K388 HydrophobicContact CD2-CD 4.46Å; F348-K388 HydrophobicContact CD2-CG 4.18Å; F348-K388 HydrophobicContact CE1-CB 4.41Å; F348-K388 HydrophobicContact CE1-CG 4.07Å; F348-K388 HydrophobicContact CE2-CB 3.58Å; F348-K388 HydrophobicContact CE2-CG 4.12Å; F348-K388 HydrophobicContact CG-CB 4.33Å; F348-K388 HydrophobicContact CG-CD 4.22Å; F348-K388 HydrophobicContact CG-CG 4.2Å; F348-K388 HydrophobicContact CZ-CB 3.91Å; F348-K388 HydrophobicContact CZ-CG 4.06Å; F348-K388 WeakPolarHBondContact O-CD 3.38Å; F348-K388 WeakPolarHBondContact O-CE 3.34Å; F348-K388 PolarHBondContact O-NZ 2.65Å; F348-I392 HydrophobicContact CE2-CD1 3.86Å; F348-I392 HydrophobicContact CE2-CG1 4.5Å; F348-I392 HydrophobicContact CZ-CD1 3.66Å; F348-L393 HydrophobicContact CD2-CD2 4.35Å
349T98.3Very high97.6Very high0 Ų026.5 Ų26.50%013%0.131CC..  trans-108.4147.5-178.2171.60000112.2D293 L294 D295 S351 A356 L374 F375 R376D293-T349 VanDerWaalsContact OD1-CA 3.32Å; D293-T349 WeakPolarHBondContact OD1-CA 3.29Å; L294-T349 HydrophobicContact CB-CG2 4.4Å; L294-T349 HydrophobicContact CD2-CG2 4.24Å; D295-T349 PolarHBondContact OD2-OG1 3.41Å; T349-S351 PolarHBondContact O-N 3.44Å; T349-S351 VanDerWaalsContact OG1-CB 3.25Å; T349-S351 WeakPolarHBondContact OG1-CB 3.32Å; T349-S351 PolarHBondContact OG1-N 3.25Å; T349-S351 PolarHBondContact OG1-OG 3.48Å; T349-A356 HydrophobicContact CG2-CB 3.77Å; T349-L374 PolarHBondContact N-O 2.88Å; T349-F375 HydrophobicContact CG2-CD1 4.11Å; T349-F375 CarbonylContact O-C 3.47Å; T349-F375 VanDerWaalsContact O-CA 3.28Å; T349-F375 WeakPolarHBondContact O-CA 3.38Å; T349-R376 PolarHBondContact O-N 2.79Å
350A96.8Very high97.5Very high4 Ų426.7 Ų26.73%0.03313%0.132CC..SBendtrans-77.52168.200000113.1R376 Y386A350-R376 WeakPolarHBondContact O-CB 3.46Å; A350-R376 VanDerWaalsContact O-CZ 3.24Å; A350-R376 PolarHBondContact O-NE 2.94Å; A350-R376 PolarHBondContact O-NH2 2.92Å; A350-Y386 HydrophobicContact CB-CD2 4.38Å; A350-Y386 HydrophobicContact CB-CG 4.47Å
351S96.3Very high97.5Very high0 Ų028.2 Ų28.20%014%0.137CC..SBendtrans-80.1160.9173.8-68.60000113.4F145 S146 D295 T349 R376F145-S351 WeakPolarHBondContact CA-OG 3.46Å; S146-S351 PolarHBondContact N-OG 3.2Å; D295-S351 WeakPolarHBondContact OD2-CB 3.46Å; D295-S351 PolarHBondContact OD2-OG 3.22Å; T349-S351 PolarHBondContact O-N 3.44Å; T349-S351 VanDerWaalsContact OG1-CB 3.25Å; T349-S351 WeakPolarHBondContact OG1-CB 3.32Å; T349-S351 PolarHBondContact OG1-N 3.25Å; T349-S351 PolarHBondContact OG1-OG 3.48Å; S351-R376 PolarHBondContact O-N 3.42Å
352K96.1Very high97.5Very high61 Ų6125.7 Ų25.727%0.26513%0.127SC..  trans-72.5140.1177.9-66.7-75.3-171.9173.80111.8T143 I144 F317 V354 Y355 A356T143-K352 WeakPolarHBondContact O-CE 3.49Å; T143-K352 WeakPolarHBondContact O-CG 3.29Å; I144-K352 PolarHBondContact O-N 3.33Å; F317-K352 HydrophobicContact CE2-CG 4.48Å; K352-V354 VanDerWaalsContact C-N 3.29Å; K352-V354 HydrophobicContact CB-CG2 4.32Å; K352-V354 PolarHBondContact O-N 3.41Å; K352-V354 VanDerWaalsContact O-N 3.16Å; K352-Y355 PolarHBondContact O-N 2.82Å; K352-A356 PolarHBondContact O-N 2.82Å; K352-A356 VanDerWaalsContact O-N 3.16Å
353K96.6Very high97.5Very high91 Ų9124.6 Ų24.640%0.39612%0.122SC..Hα-helixtrans-49.2-41.8178.6-176.6173.6-168.5-54.30114.6Y355 A356 D357 F375K353-Y355 PolarHBondContact O-N 3.16Å; K353-A356 PolarHBondContact O-N 3.26Å; K353-D357 HydrophobicContact CG-CB 4.1Å; K353-D357 IonicContact NZ-OD2 2.77Å; K353-D357 PolarHBondContact NZ-OD2 3.18Å; K353-D357 WeakPolarHBondContact O-CB 3.33Å; K353-D357 PolarHBondContact O-N 3Å; K353-F375 HydrophobicContact CB-CB 4.09Å; K353-F375 HydrophobicContact CB-CD1 4.22Å; K353-F375 HydrophobicContact CB-CD2 3.74Å; K353-F375 HydrophobicContact CB-CE2 4.21Å; K353-F375 HydrophobicContact CB-CG 3.75Å; K353-F375 HydrophobicContact CD-CD2 3.84Å; K353-F375 HydrophobicContact CD-CE2 3.77Å; K353-F375 HydrophobicContact CG-CD1 4.4Å; K353-F375 HydrophobicContact CG-CD2 3.63Å; K353-F375 HydrophobicContact CG-CE1 4.33Å; K353-F375 HydrophobicContact CG-CE2 3.58Å; K353-F375 HydrophobicContact CG-CG 4.05Å; K353-F375 HydrophobicContact CG-CZ 3.92Å
354V96Very high97.4Very high73 Ų7324.9 Ų24.944%0.44212%0.124SC..Hα-helixtrans-59.9-32.2-175.3-64.20000113.6V315 F317 K352V315-V354 HydrophobicContact CG1-CB 4.29Å; V315-V354 HydrophobicContact CG1-CG2 3.92Å; F317-V354 HydrophobicContact CB-CG2 4.42Å; F317-V354 HydrophobicContact CD2-CG2 3.87Å; F317-V354 HydrophobicContact CG-CG2 4.49Å; K352-V354 VanDerWaalsContact C-N 3.29Å; K352-V354 HydrophobicContact CB-CG2 4.32Å; K352-V354 PolarHBondContact O-N 3.41Å; K352-V354 VanDerWaalsContact O-N 3.16Å
355Y96.5Very high97.3Very high0 Ų029.1 Ų29.10%015%0.152CC..Hα-helixtrans-86.8-56.7175.1146.4-107000110.5I144 F145 L294 D295 C301 F313 V324 K352 K353 D357 K358 L359I144-Y355 HydrophobicContact CG2-CD1 4.42Å; I144-Y355 HydrophobicContact CG2-CG 4.09Å; F145-Y355 AromaticContact CD1-CD1 3.81Å; F145-Y355 HydrophobicContact CD1-CD1 3.81Å; F145-Y355 HydrophobicContact CD1-CD2 4.38Å; F145-Y355 AromaticContact CD1-CE1 3.67Å; F145-Y355 HydrophobicContact CD1-CE1 3.67Å; F145-Y355 HydrophobicContact CD1-CE2 4.26Å; F145-Y355 HydrophobicContact CD1-CG 4.19Å; F145-Y355 AromaticContact CD1-CZ 3.92Å; F145-Y355 HydrophobicContact CE1-CD1 4.17Å; F145-Y355 AromaticContact CE1-CD2 3.9Å; F145-Y355 HydrophobicContact CE1-CD2 3.9Å; F145-Y355 HydrophobicContact CE1-CE1 4.07Å; F145-Y355 AromaticContact CE1-CE2 3.8Å; F145-Y355 HydrophobicContact CE1-CE2 3.8Å; F145-Y355 HydrophobicContact CE1-CG 4.11Å; F145-Y355 AromaticContact CE1-CZ 3.9Å; L294-Y355 HydrophobicContact CD2-CE1 4.42Å; D295-Y355 VanDerWaalsContact OD1-CE1 3.29Å; D295-Y355 WeakPolarHBondContact OD1-CE1 3.49Å; D295-Y355 VanDerWaalsContact OD1-CZ 3.29Å; D295-Y355 PolarHBondContact OD1-OH 3.47Å; C301-Y355 HydrophobicContact CB-CE2 4.49Å; C301-Y355 PolarHBondContact SG-OH 3.25Å; F313-Y355 HydrophobicContact CE2-CD2 4.07Å; F313-Y355 AromaticContact CZ-CD2 3.87Å; F313-Y355 HydrophobicContact CZ-CD2 3.87Å; F313-Y355 AromaticContact CZ-CE2 3.93Å; F313-Y355 HydrophobicContact CZ-CE2 3.93Å; V324-Y355 HydrophobicContact CG1-CD2 4.35Å; V324-Y355 HydrophobicContact CG1-CE2 4.18Å; V324-Y355 HydrophobicContact CG2-CD2 4.39Å; K352-Y355 PolarHBondContact O-N 2.82Å; K353-Y355 PolarHBondContact O-N 3.16Å; Y355-D357 PolarHBondContact O-N 3.35Å; Y355-K358 WeakPolarHBondContact O-CA 3.33Å; Y355-K358 WeakPolarHBondContact O-CB 3.43Å; Y355-K358 PolarHBondContact O-N 3.37Å; Y355-L359 HydrophobicContact CE2-CB 4.16Å; Y355-L359 HydrophobicContact CE2-CD2 4.03Å; Y355-L359 PolarHBondContact O-N 3.38Å; Y355-L359 VanDerWaalsContact OH-CD2 3.3Å; Y355-L359 WeakPolarHBondContact OH-CD2 3.19Å
356A96.8Very high97.2Very high0 Ų036.5 Ų36.50%018%0.184CC..Hα-helixtrans-64.5-37.9-170.100000113.1L294 T349 K352 K353 K358 L359 L360 F375L294-A356 HydrophobicContact CD2-CB 3.77Å; T349-A356 HydrophobicContact CG2-CB 3.77Å; K352-A356 PolarHBondContact O-N 2.82Å; K352-A356 VanDerWaalsContact O-N 3.16Å; K353-A356 PolarHBondContact O-N 3.26Å; A356-K358 VanDerWaalsContact C-N 3.31Å; A356-K358 PolarHBondContact O-N 2.83Å; A356-L359 PolarHBondContact O-N 3.14Å; A356-L360 WeakPolarHBondContact O-CB 3.38Å; A356-L360 VanDerWaalsContact O-CG 3.26Å; A356-L360 WeakPolarHBondContact O-CG 3.37Å; A356-L360 PolarHBondContact O-N 3.46Å; A356-F375 HydrophobicContact CB-CD1 3.75Å; A356-F375 HydrophobicContact CB-CE1 3.85Å
357D96.6Very high97Very high39 Ų3943.1 Ų43.121%0.20921%0.212CC..Hα-helixtrans-69.6-31.3176.8-159.520.7000111.4K353 Y355 N361 R373 F375K353-D357 HydrophobicContact CG-CB 4.1Å; K353-D357 IonicContact NZ-OD2 2.77Å; K353-D357 PolarHBondContact NZ-OD2 3.18Å; K353-D357 WeakPolarHBondContact O-CB 3.33Å; K353-D357 PolarHBondContact O-N 3Å; Y355-D357 PolarHBondContact O-N 3.35Å; D357-N361 WeakPolarHBondContact O-CB 3.47Å; D357-N361 PolarHBondContact O-N 3.5Å; D357-N361 VanDerWaalsContact O-N 3.12Å; D357-N361 PolarHBondContact O-ND2 2.85Å; D357-R373 PolarHBondContact O-NH1 2.66Å; D357-R373 IonicContact OD1-CZ 3.89Å; D357-R373 IonicContact OD1-NH1 2.77Å; D357-R373 PolarHBondContact OD1-NH1 2.6Å; D357-F375 HydrophobicContact CB-CE1 4.04Å; D357-F375 HydrophobicContact CB-CZ 3.82Å
358K97.5Very high96.9Very high86 Ų8649.6 Ų49.637%0.37424%0.243SC..Hα-helixtrans-70.6-46.4173.6-174.1165.2-179.2175.70111.5F313 P314 Y355 A356 N361 I362F313-K358 HydrophobicContact CD2-CB 4.5Å; F313-K358 HydrophobicContact CD2-CD 3.66Å; F313-K358 HydrophobicContact CD2-CG 3.84Å; F313-K358 HydrophobicContact CE2-CB 4.21Å; F313-K358 HydrophobicContact CE2-CD 4.19Å; F313-K358 HydrophobicContact CE2-CG 4.03Å; F313-K358 HydrophobicContact CG-CD 4.49Å; P314-K358 WeakPolarHBondContact O-CE 3.28Å; P314-K358 PolarHBondContact O-NZ 3.33Å; Y355-K358 WeakPolarHBondContact O-CA 3.33Å; Y355-K358 WeakPolarHBondContact O-CB 3.43Å; Y355-K358 PolarHBondContact O-N 3.37Å; A356-K358 VanDerWaalsContact C-N 3.31Å; A356-K358 PolarHBondContact O-N 2.83Å; K358-N361 PolarHBondContact O-N 2.76Å; K358-I362 WeakPolarHBondContact O-CG1 3.39Å; K358-I362 PolarHBondContact O-N 3.37Å
359L97.5Very high96.8Very high0 Ų050.5 Ų50.50%025%0.247CC..Hα-helixtrans-58.7-49.5174.2177.555.2000111.5L294 V299 L311 F313 V326 Y355 A356 N361 I362 L363L294-L359 HydrophobicContact CD1-CD2 4.08Å; L294-L359 HydrophobicContact CD2-CD2 4.24Å; L294-L359 HydrophobicContact CG-CD2 4.34Å; V299-L359 HydrophobicContact CG1-CD2 4.25Å; V299-L359 HydrophobicContact CG2-CD2 3.82Å; L311-L359 HydrophobicContact CD1-CD1 4.09Å; F313-L359 HydrophobicContact CE1-CB 4.24Å; F313-L359 HydrophobicContact CE1-CD1 3.95Å; F313-L359 HydrophobicContact CZ-CB 3.83Å; F313-L359 HydrophobicContact CZ-CD1 4.38Å; V326-L359 HydrophobicContact CG1-CD1 4.21Å; V326-L359 HydrophobicContact CG2-CD1 4.37Å; Y355-L359 HydrophobicContact CE2-CB 4.16Å; Y355-L359 HydrophobicContact CE2-CD2 4.03Å; Y355-L359 PolarHBondContact O-N 3.38Å; Y355-L359 VanDerWaalsContact OH-CD2 3.3Å; Y355-L359 WeakPolarHBondContact OH-CD2 3.19Å; A356-L359 PolarHBondContact O-N 3.14Å; L359-N361 PolarHBondContact O-N 3.04Å; L359-I362 WeakPolarHBondContact O-CA 3.35Å; L359-I362 WeakPolarHBondContact O-CB 3.42Å; L359-I362 PolarHBondContact O-N 2.87Å; L359-L363 HydrophobicContact CD1-CD1 3.86Å; L359-L363 HydrophobicContact CD1-CD2 4.05Å; L359-L363 HydrophobicContact CD1-CG 3.75Å; L359-L363 HydrophobicContact CD2-CD1 4.31Å; L359-L363 HydrophobicContact CG-CD1 3.83Å; L359-L363 HydrophobicContact CG-CG 4.09Å; L359-L363 PolarHBondContact O-N 3.38Å
360L97.4Very high96.8Very high5 Ų551 Ų513%0.02625%0.25CS..Hα-helixtrans-66.9-21.1-178.6-69.1170.3000113.2L294 L347 A356 I362 D364 R373L294-L360 HydrophobicContact CD1-CD2 4.05Å; L347-L360 HydrophobicContact CB-CD1 3.98Å; L347-L360 HydrophobicContact CD1-CD1 4.42Å; L347-L360 HydrophobicContact CD1-CD2 4.2Å; L347-L360 HydrophobicContact CG-CD1 3.97Å; L347-L360 HydrophobicContact CG-CD2 3.96Å; A356-L360 WeakPolarHBondContact O-CB 3.38Å; A356-L360 VanDerWaalsContact O-CG 3.26Å; A356-L360 WeakPolarHBondContact O-CG 3.37Å; A356-L360 PolarHBondContact O-N 3.46Å; L360-I362 VanDerWaalsContact C-N 3.34Å; L360-D364 PolarHBondContact O-N 3.46Å; L360-R373 VanDerWaalsContact C-NH2 3.35Å; L360-R373 VanDerWaalsContact CB-CZ 3.4Å; L360-R373 HydrophobicContact CD1-CG 4.01Å; L360-R373 PolarHBondContact O-NH2 3.39Å
361N97.7Very high96.8Very high64 Ų6456.1 Ų56.134%0.34227%0.269SS..Hα-helixtrans-75.5-19.7168.3-72.5-30.4000113.4D357 K358 L359 P365 R373D357-N361 WeakPolarHBondContact O-CB 3.47Å; D357-N361 PolarHBondContact O-N 3.5Å; D357-N361 VanDerWaalsContact O-N 3.12Å; D357-N361 PolarHBondContact O-ND2 2.85Å; K358-N361 PolarHBondContact O-N 2.76Å; L359-N361 PolarHBondContact O-N 3.04Å; N361-P365 WeakPolarHBondContact O-CA 3.46Å; N361-P365 WeakPolarHBondContact O-CB 3.32Å; N361-R373 PolarHBondContact OD1-NH1 3.09Å
362I97.6Very high96.9Very high74 Ų7457.5 Ų57.538%0.37928%0.275SS..Hα-helixtrans-86.9-39.8172.8-60164.5000110.5L311 F313 K358 L359 L360L311-I362 HydrophobicContact CD2-CG2 3.91Å; F313-I362 HydrophobicContact CB-CD1 4.2Å; F313-I362 HydrophobicContact CD1-CD1 3.51Å; F313-I362 HydrophobicContact CE1-CD1 4.04Å; F313-I362 HydrophobicContact CG-CD1 3.86Å; K358-I362 WeakPolarHBondContact O-CG1 3.39Å; K358-I362 PolarHBondContact O-N 3.37Å; L359-I362 WeakPolarHBondContact O-CA 3.35Å; L359-I362 WeakPolarHBondContact O-CB 3.42Å; L359-I362 PolarHBondContact O-N 2.87Å; L360-I362 VanDerWaalsContact C-N 3.34Å
363L96.8Very high97Very high12 Ų1256.5 Ų56.56%0.06327%0.27CS..Hα-helixtrans-76.6-39.9-178.6-58.9-176.4000113.7V299 L311 L328 F332 R333 L359 P365V299-L363 HydrophobicContact CG1-CD1 3.96Å; L311-L363 HydrophobicContact CD2-CD2 4.04Å; L328-L363 HydrophobicContact CD2-CD2 3.63Å; F332-L363 HydrophobicContact CE2-CB 4.44Å; F332-L363 HydrophobicContact CE2-CD1 4.18Å; F332-L363 HydrophobicContact CE2-CD2 4.15Å; F332-L363 HydrophobicContact CE2-CG 4.49Å; F332-L363 HydrophobicContact CZ-CD2 4.09Å; R333-L363 PolarHBondContact NH2-O 2.98Å; L359-L363 HydrophobicContact CD1-CD1 3.86Å; L359-L363 HydrophobicContact CD1-CD2 4.05Å; L359-L363 HydrophobicContact CD1-CG 3.75Å; L359-L363 HydrophobicContact CD2-CD1 4.31Å; L359-L363 HydrophobicContact CG-CD1 3.83Å; L359-L363 HydrophobicContact CG-CG 4.09Å; L359-L363 PolarHBondContact O-N 3.38Å; L363-P365 VanDerWaalsContact C-CD 3.47Å
364D97.4Very high97.1Very high8 Ų852.4 Ų52.44%0.04325%0.252CS..  trans-125.870.6175.3-175.311.5000110.9L360 K366 K367 Q368 L369 V370L360-D364 PolarHBondContact O-N 3.46Å; D364-K366 PolarHBondContact O-N 2.89Å; D364-K367 PolarHBondContact O-N 2.77Å; D364-K367 WeakPolarHBondContact OD1-CA 3.38Å; D364-K367 PolarHBondContact OD1-N 2.89Å; D364-K367 WeakPolarHBondContact OD2-CA 3.44Å; D364-Q368 PolarHBondContact OD1-N 2.9Å; D364-Q368 PolarHBondContact OD2-N 2.65Å; D364-Q368 VanDerWaalsContact OD2-N 3.08Å; D364-L369 WeakPolarHBondContact OD2-CA 3.39Å; D364-L369 PolarHBondContact OD2-N 2.71Å; D364-V370 PolarHBondContact OD2-N 2.76Å
365P96.6Very high97.2Very high92 Ų9249.2 Ų49.260%0.59723%0.232SC*.THydrogen-bonded Turntrans-68.3-19.7-177.828-35.2000112.8N361 L363N361-P365 WeakPolarHBondContact O-CA 3.46Å; N361-P365 WeakPolarHBondContact O-CB 3.32Å; L363-P365 VanDerWaalsContact C-CD 3.47Å
366K96.4Very high97.2Very high157 Ų15750 Ų5068%0.68324%0.235SC*.THydrogen-bonded Turntrans-89-12.8177-62.8-179.5-176.3170.30113D364 Q368D364-K366 PolarHBondContact O-N 2.89Å; K366-Q368 VanDerWaalsContact C-N 3.31Å; K366-Q368 HydrophobicContact CB-CB 4.3Å; K366-Q368 HydrophobicContact CB-CG 3.77Å; K366-Q368 PolarHBondContact O-N 2.83Å
367K94.9Very high97.1Very high138 Ų13855.2 Ų55.260%0.626%0.26SS*.SBendtrans55.645.8-174.2-54.4-174-178.4-174.20111.7D364D364-K367 PolarHBondContact O-N 2.77Å; D364-K367 WeakPolarHBondContact OD1-CA 3.38Å; D364-K367 PolarHBondContact OD1-N 2.89Å; D364-K367 WeakPolarHBondContact OD2-CA 3.44Å
368Q95.7Very high97.2Very high137 Ų13756 Ų5664%0.6426%0.262SS*.SBendtrans-106.9-18.2-176-75.7179.7-2700113.5D364 K366D364-Q368 PolarHBondContact OD1-N 2.9Å; D364-Q368 PolarHBondContact OD2-N 2.65Å; D364-Q368 VanDerWaalsContact OD2-N 3.08Å; K366-Q368 VanDerWaalsContact C-N 3.31Å; K366-Q368 HydrophobicContact CB-CB 4.3Å; K366-Q368 HydrophobicContact CB-CG 3.77Å; K366-Q368 PolarHBondContact O-N 2.83Å
369L97.3Very high97.2Very high20 Ų2052.4 Ų52.411%0.10525%0.248CC..SBendtrans-103-46.3-177.8-53179.9000111.1L336 E337 I345 D364L336-L369 HydrophobicContact CB-CB 4.36Å; L336-L369 HydrophobicContact CB-CD1 4Å; E337-L369 HydrophobicContact CB-CD2 4.41Å; E337-L369 HydrophobicContact CG-CD1 4.13Å; E337-L369 HydrophobicContact CG-CD2 3.58Å; I345-L369 WeakPolarHBondContact CB-O 3.47Å; D364-L369 WeakPolarHBondContact OD2-CA 3.39Å; D364-L369 PolarHBondContact OD2-N 2.71Å
370V97.8Very high97.1Very high10 Ų1052.7 Ų52.76%0.06125%0.249CC..  trans-103.5112.7-174.2178.70000110.3I345 L347 D364 H372 R373I345-V370 HydrophobicContact CG2-CG2 4.36Å; L347-V370 HydrophobicContact CB-CG1 4Å; L347-V370 HydrophobicContact CD2-CB 4.29Å; L347-V370 HydrophobicContact CD2-CG1 3.78Å; L347-V370 HydrophobicContact CD2-CG2 3.53Å; L347-V370 HydrophobicContact CG-CG1 4.03Å; L347-V370 HydrophobicContact CG-CG2 4.2Å; D364-V370 PolarHBondContact OD2-N 2.76Å; V370-H372 WeakPolarHBondContact CG1-O 3.26Å; V370-R373 HydrophobicContact CG1-CG 3.93Å
371R97.3Very high97Very high111 Ų11156 Ų5642%0.41927%0.272SS..SBendtrans-78.8-39.7-178.8-165.1-176.6-166.180.1-4.5112.5T282 T285 E344 I345T282-R371 PolarHBondContact OG1-NH2 2.83Å; T285-R371 PolarHBondContact OG1-NE 3.26Å; T285-R371 PolarHBondContact OG1-NH2 2.72Å; T285-R371 VanDerWaalsContact OG1-NH2 3.14Å; E344-R371 HydrophobicContact CG-CB 4.35Å; I345-R371 PolarHBondContact O-N 3.15Å
372H98.3Very high96.8Very high30 Ų3053.6 Ų53.614%0.13926%0.26CS..EExtended strand (participates in β ladder)trans-135.2150.2-174.8-64.6-51.5000111.2L278 E344 I345 I346 L347 V370L278-H372 HydrophobicContact CD1-CB 4.41Å; L278-H372 HydrophobicContact CD2-CB 3.65Å; E344-H372 IonicContact OE1-CD2 2.9Å; E344-H372 IonicContact OE1-NE2 3.75Å; E344-H372 PolarHBondContact OE1-NE2 3.33Å; I345-H372 PolarHBondContact O-N 2.95Å; I346-H372 HydrophobicContact CG1-CB 4.23Å; I346-H372 HydrophobicContact CG2-CB 4.21Å; L347-H372 PolarHBondContact N-O 3.25Å; V370-H372 WeakPolarHBondContact CG1-O 3.26Å
373R98.3Very high96.5Very high40 Ų4057.6 Ų57.615%0.15128%0.277CS..EExtended strand (participates in β ladder)trans-133.3125179.9-57.5179.5-176.5175.1-2.7108.8L347 D357 L360 N361 V370 F375L347-R373 CarbonylContact O-C 3.56Å; L347-R373 WeakPolarHBondContact O-CA 3.45Å; D357-R373 PolarHBondContact O-NH1 2.66Å; D357-R373 IonicContact OD1-CZ 3.89Å; D357-R373 IonicContact OD1-NH1 2.77Å; D357-R373 PolarHBondContact OD1-NH1 2.6Å; L360-R373 VanDerWaalsContact C-NH2 3.35Å; L360-R373 VanDerWaalsContact CB-CZ 3.4Å; L360-R373 HydrophobicContact CD1-CG 4.01Å; L360-R373 PolarHBondContact O-NH2 3.39Å; N361-R373 PolarHBondContact OD1-NH1 3.09Å; V370-R373 HydrophobicContact CG1-CG 3.93Å; R373-F375 HydrophobicContact CB-CE1 4.07Å; R373-F375 HydrophobicContact CB-CE2 4.04Å; R373-F375 HydrophobicContact CB-CZ 3.49Å; R373-F375 VanDerWaalsContact CB-CZ 3.49Å; R373-F375 HydrophobicContact CG-CZ 4.48Å
374L98.6Very high96.2Very high4 Ų459.3 Ų59.32%0.02130%0.297CS..EExtended strand (participates in β ladder)trans-124.5146174.3-60174.4000107.9A277 L278 I346 L347 F348 T349 H378 L393A277-L374 HydrophobicContact CB-CD2 3.91Å; L278-L374 HydrophobicContact CD2-CD1 4.16Å; L278-L374 HydrophobicContact CD2-CD2 3.98Å; L278-L374 HydrophobicContact CD2-CG 4.17Å; I346-L374 HydrophobicContact CG2-CD1 4.17Å; L347-L374 PolarHBondContact O-N 3.4Å; F348-L374 WeakPolarHBondContact CA-O 3.25Å; F348-L374 HydrophobicContact CB-CB 4.11Å; F348-L374 HydrophobicContact CD1-CB 3.46Å; F348-L374 VanDerWaalsContact CD1-CB 3.46Å; F348-L374 HydrophobicContact CD1-CD1 4.41Å; F348-L374 HydrophobicContact CD2-CB 4.44Å; F348-L374 HydrophobicContact CD2-CD1 3.95Å; F348-L374 HydrophobicContact CE1-CB 3.94Å; F348-L374 HydrophobicContact CE2-CD1 4.2Å; F348-L374 HydrophobicContact CG-CB 3.75Å; F348-L374 HydrophobicContact CG-CD1 4.06Å; T349-L374 PolarHBondContact N-O 2.88Å; L374-H378 HydrophobicContact CB-CB 4.35Å; L374-H378 HydrophobicContact CD2-CB 4.47Å; L374-H378 VanDerWaalsContact CD2-CD2 3.5Å; L374-H378 WeakPolarHBondContact CD2-CD2 3.09Å; L374-L393 HydrophobicContact CD1-CD2 3.29Å
375F98Very high96Very high7 Ų760.2 Ų60.23%0.03130%0.302CS..  trans-134.8175.4-170.3-44.2-79.1000109.5T349 K353 A356 D357 R373 E377 H378T349-F375 HydrophobicContact CG2-CD1 4.11Å; T349-F375 CarbonylContact O-C 3.47Å; T349-F375 VanDerWaalsContact O-CA 3.28Å; T349-F375 WeakPolarHBondContact O-CA 3.38Å; K353-F375 HydrophobicContact CB-CB 4.09Å; K353-F375 HydrophobicContact CB-CD1 4.22Å; K353-F375 HydrophobicContact CB-CD2 3.74Å; K353-F375 HydrophobicContact CB-CE2 4.21Å; K353-F375 HydrophobicContact CB-CG 3.75Å; K353-F375 HydrophobicContact CD-CD2 3.84Å; K353-F375 HydrophobicContact CD-CE2 3.77Å; K353-F375 HydrophobicContact CG-CD1 4.4Å; K353-F375 HydrophobicContact CG-CD2 3.63Å; K353-F375 HydrophobicContact CG-CE1 4.33Å; K353-F375 HydrophobicContact CG-CE2 3.58Å; K353-F375 HydrophobicContact CG-CG 4.05Å; K353-F375 HydrophobicContact CG-CZ 3.92Å; A356-F375 HydrophobicContact CB-CD1 3.75Å; A356-F375 HydrophobicContact CB-CE1 3.85Å; D357-F375 HydrophobicContact CB-CE1 4.04Å; D357-F375 HydrophobicContact CB-CZ 3.82Å; R373-F375 HydrophobicContact CB-CE1 4.07Å; R373-F375 HydrophobicContact CB-CE2 4.04Å; R373-F375 HydrophobicContact CB-CZ 3.49Å; R373-F375 VanDerWaalsContact CB-CZ 3.49Å; R373-F375 HydrophobicContact CG-CZ 4.48Å; F375-E377 WeakPolarHBondContact CB-OE2 3.39Å; F375-E377 PolarHBondContact O-N 2.7Å; F375-H378 PolarHBondContact N-ND1 3.49Å; F375-H378 WeakPolarHBondContact O-CB 3.28Å; F375-H378 PolarHBondContact O-N 2.74Å; F375-H378 PolarHBondContact O-ND1 2.93Å
376R96.9Very high96Very high15 Ų1558.6 Ų58.66%0.05729%0.285CS..G310 helixtrans-39.1-42.3-176.7-176.1173.9-65.3-179.216.1115.9T143 F145 T349 A350 S351 H378 C379 Y386T143-R376 PolarHBondContact O-NH1 3.46Å; F145-R376 PolarHBondContact O-NH2 2.81Å; T349-R376 PolarHBondContact O-N 2.79Å; A350-R376 WeakPolarHBondContact O-CB 3.46Å; A350-R376 VanDerWaalsContact O-CZ 3.24Å; A350-R376 PolarHBondContact O-NE 2.94Å; A350-R376 PolarHBondContact O-NH2 2.92Å; S351-R376 PolarHBondContact O-N 3.42Å; R376-H378 PolarHBondContact O-N 3.41Å; R376-C379 WeakPolarHBondContact O-CB 3.41Å; R376-C379 PolarHBondContact O-N 3.2Å; R376-Y386 VanDerWaalsContact CD-CZ 3.43Å; R376-Y386 HydrophobicContact CG-CD1 4Å; R376-Y386 HydrophobicContact CG-CD2 4.19Å; R376-Y386 HydrophobicContact CG-CE1 3.72Å; R376-Y386 HydrophobicContact CG-CE2 3.91Å; R376-Y386 HydrophobicContact CG-CG 4.25Å
377E95.1Very high96.1Very high111 Ų11151.1 Ų51.152%0.51925%0.252SS..G310 helixtrans-64.8-6.8-179.365.3-83-173.300115F375F375-E377 WeakPolarHBondContact CB-OE2 3.39Å; F375-E377 PolarHBondContact O-N 2.7Å
378H97.3Very high96.3Very high54 Ų5444.6 Ų44.625%0.2522%0.224CC..G310 helixtrans-101.2-12.5173.6-50.377.3000112.5F348 L374 F375 R376 I392F348-H378 HydrophobicContact CE1-CB 3.89Å; F348-H378 HydrophobicContact CZ-CB 4.09Å; L374-H378 HydrophobicContact CB-CB 4.35Å; L374-H378 HydrophobicContact CD2-CB 4.47Å; L374-H378 VanDerWaalsContact CD2-CD2 3.5Å; L374-H378 WeakPolarHBondContact CD2-CD2 3.09Å; F375-H378 PolarHBondContact N-ND1 3.49Å; F375-H378 WeakPolarHBondContact O-CB 3.28Å; F375-H378 PolarHBondContact O-N 2.74Å; F375-H378 PolarHBondContact O-ND1 2.93Å; R376-H378 PolarHBondContact O-N 3.41Å; H378-I392 HydrophobicContact CB-CD1 3.98Å; H378-I392 WeakPolarHBondContact O-CD1 3.43Å
379C97.3Very high96.4Very high12 Ų1238.2 Ų38.28%0.08119%0.194CC..SBendtrans-75.5156.7177.3-59.90000111.6F348 R376 Y386 I387F348-C379 VanDerWaalsContact CE1-SG 3.52Å; R376-C379 WeakPolarHBondContact O-CB 3.41Å; R376-C379 PolarHBondContact O-N 3.2Å; C379-Y386 HydrophobicContact CB-CD1 3.95Å; C379-Y386 HydrophobicContact CB-CG 4.28Å; C379-I387 CarbonylContact C-O 3.56Å; C379-I387 WeakPolarHBondContact CA-O 3.47Å; C379-I387 WeakPolarHBondContact CB-O 3.5Å
380V96.5Very high96.4Very high5 Ų537.2 Ų37.23%0.0319%0.189CC..EExtended strand (participates in β ladder)trans-88.3122.6164.6-176.60000107.9L267 V382 I387 D389 Y412L267-V380 HydrophobicContact CD2-CG1 4.43Å; L267-V380 HydrophobicContact CD2-CG2 3.89Å; V380-V382 HydrophobicContact CG1-CG2 4.04Å; V380-I387 PolarHBondContact N-O 3.33Å; V380-I387 PolarHBondContact O-N 2.97Å; V380-D389 HydrophobicContact CG2-CB 4.15Å; V380-Y412 HydrophobicContact CB-CE2 4.33Å; V380-Y412 HydrophobicContact CG1-CE2 4.35Å
381C95.3Very high96.4Very high74 Ų7440.2 Ų40.250%0.521%0.205SC..EExtended strand (participates in β ladder)trans-88.4121.9175.5-167.70000109.9N385 Y386C381-N385 WeakPolarHBondContact CA-O 3.29Å; C381-Y386 HydrophobicContact CB-CD1 4.04Å; C381-Y386 HydrophobicContact CB-CE1 3.79Å
382V94.3Very high96.4Very high14 Ų1435.6 Ų35.69%0.08519%0.188CC..EExtended strand (participates in β ladder)trans-130.8115.3177.5175.90000107.7F260 P265 V380 G384 N385 I387F260-V382 HydrophobicContact CE2-CG1 4.01Å; F260-V382 HydrophobicContact CZ-CB 4.07Å; F260-V382 HydrophobicContact CZ-CG1 3.9Å; P265-V382 HydrophobicContact CG-CG1 4.15Å; V380-V382 HydrophobicContact CG1-CG2 4.04Å; V382-G384 PolarHBondContact O-N 2.99Å; V382-G384 VanDerWaalsContact O-N 3.14Å; V382-N385 PolarHBondContact N-O 2.93Å; V382-N385 WeakPolarHBondContact O-CB 3.21Å; V382-N385 PolarHBondContact O-N 3.07Å; V382-I387 HydrophobicContact CB-CD1 3.97Å; V382-I387 HydrophobicContact CG2-CD1 3.74Å; V382-I387 HydrophobicContact CG2-CG1 4.49Å
383Q91Very high96.3Very high158 Ų15834.1 Ų34.174%0.73818%0.181SC*.THydrogen-bonded Turntrans49.241.8179.5-60.1168.3-38.300112.8F260 N385F260-Q383 HydrophobicContact CE2-CB 4.4Å; Q383-N385 PolarHBondContact O-N 2.84Å
384G90.3Very high96.3Very high48 Ų4834.1 Ų34.150%0.49519%0.194SC..THydrogen-bonded Turntrans80.4-15.6-177.200000116V382V382-G384 PolarHBondContact O-N 2.99Å; V382-G384 VanDerWaalsContact O-N 3.14Å
385N93.6Very high96.2Very high28 Ų2835.2 Ų35.215%0.1520%0.198CC..EExtended strand (participates in β ladder)trans-80.9138.2175.3-73.5-84.5000111.2F255 F260 C381 V382 Q383F255-N385 WeakPolarHBondContact CE2-ND2 3.47Å; F255-N385 WeakPolarHBondContact CZ-OD1 3.28Å; F260-N385 HydrophobicContact CE1-CB 4.07Å; F260-N385 HydrophobicContact CE2-CB 4.1Å; F260-N385 HydrophobicContact CZ-CB 3.57Å; C381-N385 WeakPolarHBondContact CA-O 3.29Å; V382-N385 PolarHBondContact N-O 2.93Å; V382-N385 WeakPolarHBondContact O-CB 3.21Å; V382-N385 PolarHBondContact O-N 3.07Å; Q383-N385 PolarHBondContact O-N 2.84Å
386Y96.8Very high96.2Very high57 Ų5739.3 Ų39.322%0.22422%0.22CC..EExtended strand (participates in β ladder)trans-99.6103.5178-70.9-62.5000111.5P147 A350 R376 C379 C381P147-Y386 HydrophobicContact CG-CD2 3.66Å; P147-Y386 HydrophobicContact CG-CE2 3.55Å; A350-Y386 HydrophobicContact CB-CD2 4.38Å; A350-Y386 HydrophobicContact CB-CG 4.47Å; R376-Y386 VanDerWaalsContact CD-CZ 3.43Å; R376-Y386 HydrophobicContact CG-CD1 4Å; R376-Y386 HydrophobicContact CG-CD2 4.19Å; R376-Y386 HydrophobicContact CG-CE1 3.72Å; R376-Y386 HydrophobicContact CG-CE2 3.91Å; R376-Y386 HydrophobicContact CG-CG 4.25Å; C379-Y386 HydrophobicContact CB-CD1 3.95Å; C379-Y386 HydrophobicContact CB-CG 4.28Å; C381-Y386 HydrophobicContact CB-CD1 4.04Å; C381-Y386 HydrophobicContact CB-CE1 3.79Å
387I98Very high96.3Very high0 Ų040 Ų400%023%0.225CC..EExtended strand (participates in β ladder)trans-91.8134.3179.7-43.4178.4000110.1F260 V264 C379 V380 V382 D389 A411 Y412F260-I387 HydrophobicContact CE1-CD1 3.96Å; F260-I387 HydrophobicContact CE1-CG1 4.34Å; F260-I387 HydrophobicContact CZ-CD1 4.03Å; F260-I387 HydrophobicContact CZ-CG1 4.49Å; V264-I387 HydrophobicContact CB-CD1 4.43Å; V264-I387 HydrophobicContact CG1-CD1 3.63Å; V264-I387 HydrophobicContact CG2-CD1 3.79Å; C379-I387 CarbonylContact C-O 3.56Å; C379-I387 WeakPolarHBondContact CA-O 3.47Å; C379-I387 WeakPolarHBondContact CB-O 3.5Å; V380-I387 PolarHBondContact N-O 3.33Å; V380-I387 PolarHBondContact O-N 2.97Å; V382-I387 HydrophobicContact CB-CD1 3.97Å; V382-I387 HydrophobicContact CG2-CD1 3.74Å; V382-I387 HydrophobicContact CG2-CG1 4.49Å; I387-D389 PolarHBondContact O-N 2.75Å; I387-A411 HydrophobicContact CD1-CB 4.38Å; I387-A411 HydrophobicContact CG2-CB 4.2Å; I387-Y412 HydrophobicContact CB-CD2 4.19Å; I387-Y412 HydrophobicContact CB-CE2 4.08Å; I387-Y412 HydrophobicContact CD1-CD2 4.44Å; I387-Y412 HydrophobicContact CD1-CE2 3.86Å; I387-Y412 HydrophobicContact CG2-CD2 3.5Å; I387-Y412 VanDerWaalsContact CG2-CD2 3.5Å; I387-Y412 HydrophobicContact CG2-CE2 3.87Å; I387-Y412 HydrophobicContact CG2-CG 4.39Å
388K98.4Very high96.5Very high2 Ų235.7 Ų35.71%0.00921%0.206CC..  trans-97.272.8-176.3-61.6171.5-173.7178.60110D293 F348 L390 I402 D404 A409D293-K388 IonicContact OD1-NZ 2.92Å; D293-K388 PolarHBondContact OD1-NZ 2.83Å; F348-K388 HydrophobicContact CD1-CD 4.39Å; F348-K388 HydrophobicContact CD1-CG 4.13Å; F348-K388 HydrophobicContact CD2-CB 3.81Å; F348-K388 HydrophobicContact CD2-CD 4.46Å; F348-K388 HydrophobicContact CD2-CG 4.18Å; F348-K388 HydrophobicContact CE1-CB 4.41Å; F348-K388 HydrophobicContact CE1-CG 4.07Å; F348-K388 HydrophobicContact CE2-CB 3.58Å; F348-K388 HydrophobicContact CE2-CG 4.12Å; F348-K388 HydrophobicContact CG-CB 4.33Å; F348-K388 HydrophobicContact CG-CD 4.22Å; F348-K388 HydrophobicContact CG-CG 4.2Å; F348-K388 HydrophobicContact CZ-CB 3.91Å; F348-K388 HydrophobicContact CZ-CG 4.06Å; F348-K388 WeakPolarHBondContact O-CD 3.38Å; F348-K388 WeakPolarHBondContact O-CE 3.34Å; F348-K388 PolarHBondContact O-NZ 2.65Å; K388-L390 PolarHBondContact O-N 3.27Å; K388-L390 VanDerWaalsContact O-N 3.08Å; K388-I402 HydrophobicContact CB-CD1 4.14Å; K388-I402 HydrophobicContact CD-CD1 3.92Å; K388-D404 WeakPolarHBondContact CE-OD2 3.31Å; K388-D404 IonicContact NZ-OD2 3.23Å; K388-D404 PolarHBondContact NZ-OD2 2.87Å; K388-A409 WeakPolarHBondContact CB-O 3.24Å; K388-A409 HydrophobicContact CD-CB 4.33Å; K388-A409 PolarHBondContact N-O 3.07Å
389D97.9Very high96.6Very high2 Ų234.1 Ų34.11%0.01120%0.199CC..  trans-54.6115176.4171.533000111.1L267 V380 I387 N391 I392 Y412 Q413L267-D389 HydrophobicContact CD1-CB 4.46Å; L267-D389 HydrophobicContact CD2-CB 4.4Å; V380-D389 HydrophobicContact CG2-CB 4.15Å; I387-D389 PolarHBondContact O-N 2.75Å; D389-N391 PolarHBondContact O-N 3.19Å; D389-N391 WeakPolarHBondContact OD1-CB 3.4Å; D389-N391 PolarHBondContact OD1-N 3.02Å; D389-N391 VanDerWaalsContact OD1-N 3.08Å; D389-N391 PolarHBondContact OD1-ND2 3.43Å; D389-I392 HydrophobicContact CB-CG2 4.37Å; D389-I392 WeakPolarHBondContact O-CG1 3.5Å; D389-I392 WeakPolarHBondContact OD2-CG2 3.17Å; D389-Y412 HydrophobicContact CB-CD2 4.25Å; D389-Q413 PolarHBondContact OD1-NE2 3.3Å
390L98.4Very high96.6Very high0 Ų033.6 Ų33.60%020%0.195CC..G310 helixtrans-72.9-14.6-177.3-57.1-175.9000113.2V291 K388 I392 L393 L397 T400 I402 Q413 N416V291-L390 HydrophobicContact CG2-CD2 4.23Å; K388-L390 PolarHBondContact O-N 3.27Å; K388-L390 VanDerWaalsContact O-N 3.08Å; L390-I392 VanDerWaalsContact C-N 3.28Å; L390-I392 PolarHBondContact O-N 2.91Å; L390-L393 HydrophobicContact CB-CD1 4.18Å; L390-L393 HydrophobicContact CD2-CD1 3.85Å; L390-L393 WeakPolarHBondContact O-CB 3.48Å; L390-L393 VanDerWaalsContact O-CG 3.28Å; L390-L393 WeakPolarHBondContact O-CG 3.28Å; L390-L393 PolarHBondContact O-N 2.89Å; L390-L397 HydrophobicContact CB-CD2 3.6Å; L390-L397 HydrophobicContact CD1-CD2 4.36Å; L390-T400 HydrophobicContact CD1-CG2 4.39Å; L390-I402 HydrophobicContact CD1-CB 4.49Å; L390-I402 HydrophobicContact CD1-CG2 4.11Å; L390-I402 HydrophobicContact CD2-CB 4.24Å; L390-I402 HydrophobicContact CD2-CD1 4.13Å; L390-I402 HydrophobicContact CD2-CG2 4.45Å; L390-Q413 HydrophobicContact CB-CG 4.06Å; L390-Q413 HydrophobicContact CD1-CB 3.76Å; L390-Q413 HydrophobicContact CD1-CG 4.13Å; L390-Q413 HydrophobicContact CG-CB 4.15Å; L390-Q413 HydrophobicContact CG-CG 4.18Å; L390-N416 HydrophobicContact CD1-CB 3.67Å
391N96.6Very high96.8Very high73 Ų7333.3 Ų33.339%0.3919%0.194SC..G310 helixtrans-62.6-36.1177.8-64.3-60.1000111.8D389 L393 G394 Q413D389-N391 PolarHBondContact O-N 3.19Å; D389-N391 WeakPolarHBondContact OD1-CB 3.4Å; D389-N391 PolarHBondContact OD1-N 3.02Å; D389-N391 VanDerWaalsContact OD1-N 3.08Å; D389-N391 PolarHBondContact OD1-ND2 3.43Å; N391-L393 PolarHBondContact O-N 2.79Å; N391-G394 PolarHBondContact O-N 3.42Å; N391-G394 VanDerWaalsContact O-N 3.14Å; N391-Q413 PolarHBondContact ND2-NE2 2.83Å; N391-Q413 VanDerWaalsContact ND2-NE2 3.11Å
392I96.9Very high96.9Very high13 Ų1329.8 Ų29.87%0.06717%0.17CC..G310 helixtrans-61.9-14.8-179.383-173.9000113.2P276 A277 F348 H378 D389 L390 G394P276-I392 CarbonylContact C-O 3.26Å; P276-I392 VanDerWaalsContact CA-O 3.25Å; P276-I392 WeakPolarHBondContact CA-O 3.4Å; A277-I392 HydrophobicContact CB-CG1 4.45Å; A277-I392 PolarHBondContact N-O 2.94Å; F348-I392 HydrophobicContact CE2-CD1 3.86Å; F348-I392 HydrophobicContact CE2-CG1 4.5Å; F348-I392 HydrophobicContact CZ-CD1 3.66Å; H378-I392 HydrophobicContact CB-CD1 3.98Å; H378-I392 WeakPolarHBondContact O-CD1 3.43Å; D389-I392 HydrophobicContact CB-CG2 4.37Å; D389-I392 WeakPolarHBondContact O-CG1 3.5Å; D389-I392 WeakPolarHBondContact OD2-CG2 3.17Å; L390-I392 VanDerWaalsContact C-N 3.28Å; L390-I392 PolarHBondContact O-N 2.91Å; I392-G394 VanDerWaalsContact C-N 3.27Å; I392-G394 PolarHBondContact O-N 2.57Å
393L98Very high97.2Very high0 Ų029.1 Ų29.10%017%0.166CC..G310 helixtrans-74.3-19.5-179.4-53178.2000112.3L278 V291 I346 F348 L374 L390 N391 R395 T400L278-L393 HydrophobicContact CD1-CB 4.14Å; L278-L393 HydrophobicContact CD1-CD2 4.01Å; L278-L393 HydrophobicContact CG-CD2 4.35Å; V291-L393 HydrophobicContact CG2-CD1 3.58Å; I346-L393 HydrophobicContact CD1-CD1 4.42Å; I346-L393 HydrophobicContact CG2-CD2 4.43Å; F348-L393 HydrophobicContact CD2-CD2 4.35Å; L374-L393 HydrophobicContact CD1-CD2 3.29Å; L390-L393 HydrophobicContact CB-CD1 4.18Å; L390-L393 HydrophobicContact CD2-CD1 3.85Å; L390-L393 WeakPolarHBondContact O-CB 3.48Å; L390-L393 VanDerWaalsContact O-CG 3.28Å; L390-L393 WeakPolarHBondContact O-CG 3.28Å; L390-L393 PolarHBondContact O-N 2.89Å; N391-L393 PolarHBondContact O-N 2.79Å; L393-R395 HydrophobicContact CB-CB 4.22Å; L393-R395 HydrophobicContact CB-CG 3.78Å; L393-R395 PolarHBondContact O-N 3.37Å; L393-R395 PolarHBondContact O-NH1 2.85Å; L393-T400 HydrophobicContact CD1-CG2 4.1Å
394G96.8Very high97.5Very high40 Ų4021.7 Ų21.741%0.41213%0.131SC..  trans56.241.3-171.700000111.8N391 I392N391-G394 PolarHBondContact O-N 3.42Å; N391-G394 VanDerWaalsContact O-N 3.14Å; I392-G394 VanDerWaalsContact C-N 3.27Å; I392-G394 PolarHBondContact O-N 2.57Å
395R97.9Very high97.9Very high27 Ų2720.2 Ų20.210%0.10211%0.112CC..SBendtrans-119.6154.7179.5-59-52.9-173.1-110.714.8109.5P279 E344 L393 L397 T400P279-R395 PolarHBondContact O-NH1 3.06Å; P279-R395 PolarHBondContact O-NH2 2.76Å; E344-R395 IonicContact OE1-CZ 3.44Å; E344-R395 IonicContact OE1-NE 3.35Å; E344-R395 PolarHBondContact OE1-NE 2.89Å; E344-R395 IonicContact OE1-NH2 2.6Å; E344-R395 PolarHBondContact OE1-NH2 2.77Å; E344-R395 IonicContact OE2-CZ 2.88Å; E344-R395 IonicContact OE2-NE 3.55Å; E344-R395 PolarHBondContact OE2-NE 2.53Å; E344-R395 IonicContact OE2-NH2 2.66Å; L393-R395 HydrophobicContact CB-CB 4.22Å; L393-R395 HydrophobicContact CB-CG 3.78Å; L393-R395 PolarHBondContact O-N 3.37Å; L393-R395 PolarHBondContact O-NH1 2.85Å; R395-L397 PolarHBondContact O-N 2.96Å; R395-T400 WeakPolarHBondContact CB-OG1 3.25Å
396D97.9Very high98.1Very high93 Ų9319 Ų1950%0.49711%0.106SC..  trans-71.5123173.7-178.88.4000109.8S398 K399 T400D396-S398 VanDerWaalsContact CG-OG 3.28Å; D396-S398 PolarHBondContact O-N 3.49Å; D396-S398 PolarHBondContact OD1-N 2.93Å; D396-S398 PolarHBondContact OD1-OG 2.98Å; D396-S398 WeakPolarHBondContact OD2-CB 3.38Å; D396-S398 PolarHBondContact OD2-OG 2.73Å; D396-K399 CarbonylContact O-C 3.5Å; D396-K399 PolarHBondContact O-N 2.81Å; D396-T400 WeakPolarHBondContact O-CB 3.29Å; D396-T400 PolarHBondContact O-N 2.93Å; D396-T400 VanDerWaalsContact O-N 3.09Å; D396-T400 PolarHBondContact O-OG1 2.91Å
397L98.6Very high98.1Very high30 Ų3017 Ų1716%0.15710%0.1CC..THydrogen-bonded Turntrans-68.8-13.9175.9-60.1-177.7000112.7L390 R395 K399 Q413 N416 R450L390-L397 HydrophobicContact CB-CD2 3.6Å; L390-L397 HydrophobicContact CD1-CD2 4.36Å; R395-L397 PolarHBondContact O-N 2.96Å; L397-K399 PolarHBondContact O-N 2.76Å; L397-Q413 HydrophobicContact CD1-CG 4.19Å; L397-N416 PolarHBondContact O-ND2 2.77Å; L397-R450 WeakPolarHBondContact O-CD 3.39Å
398S98.8Very high98Very high19 Ų1917.4 Ų17.413%0.13310%0.101CC..THydrogen-bonded Turntrans-71.5-19.6167.492.70000112.9D396 D448 V449D396-S398 VanDerWaalsContact CG-OG 3.28Å; D396-S398 PolarHBondContact O-N 3.49Å; D396-S398 PolarHBondContact OD1-N 2.93Å; D396-S398 PolarHBondContact OD1-OG 2.98Å; D396-S398 WeakPolarHBondContact OD2-CB 3.38Å; D396-S398 PolarHBondContact OD2-OG 2.73Å; S398-D448 WeakPolarHBondContact CA-OD1 3.35Å; S398-D448 WeakPolarHBondContact O-CA 3.29Å; S398-V449 PolarHBondContact O-N 3.23Å
399K98.8Very high98Very high21 Ų2117.6 Ų17.69%0.09110%0.103CC..SBendtrans-1207.5-176.6-57.6-61.2179.2179.50114.1E287 F288 S289 D396 L397 N446 E447E287-K399 HydrophobicContact CG-CG 4.45Å; E287-K399 VanDerWaalsContact OE1-CE 3.27Å; E287-K399 WeakPolarHBondContact OE1-CE 3.41Å; E287-K399 IonicContact OE1-NZ 3.8Å; F288-K399 CarbonylContact C-O 3.48Å; F288-K399 VanDerWaalsContact CA-O 3.31Å; F288-K399 WeakPolarHBondContact CA-O 3.25Å; F288-K399 HydrophobicContact CD1-CB 4.11Å; F288-K399 HydrophobicContact CD1-CD 3.98Å; F288-K399 HydrophobicContact CE1-CB 4.46Å; F288-K399 HydrophobicContact CE1-CD 3.53Å; F288-K399 HydrophobicContact CE2-CD 4.17Å; F288-K399 HydrophobicContact CG-CD 4.48Å; F288-K399 HydrophobicContact CZ-CD 3.64Å; S289-K399 PolarHBondContact N-O 3.06Å; D396-K399 CarbonylContact O-C 3.5Å; D396-K399 PolarHBondContact O-N 2.81Å; L397-K399 PolarHBondContact O-N 2.76Å; K399-N446 PolarHBondContact NZ-O 2.93Å; K399-N446 PolarHBondContact NZ-OD1 3.47Å; K399-E447 PolarHBondContact NZ-O 2.73Å
400T98.9Very high98Very high1 Ų117.5 Ų17.51%0.00610%0.103CC..EExtended strand (participates in β ladder)trans-112.2132.6-176.4-570000110.9S289 V291 L390 L393 R395 D396 N416 V449S289-T400 WeakPolarHBondContact O-CA 3.37Å; V291-T400 HydrophobicContact CG2-CG2 4.04Å; L390-T400 HydrophobicContact CD1-CG2 4.39Å; L393-T400 HydrophobicContact CD1-CG2 4.1Å; R395-T400 WeakPolarHBondContact CB-OG1 3.25Å; D396-T400 WeakPolarHBondContact O-CB 3.29Å; D396-T400 PolarHBondContact O-N 2.93Å; D396-T400 VanDerWaalsContact O-N 3.09Å; D396-T400 PolarHBondContact O-OG1 2.91Å; T400-N416 PolarHBondContact O-ND2 3.44Å; T400-V449 WeakPolarHBondContact O-CG2 3.26Å
401I98.9Very high98Very high0 Ų018.1 Ų18.10%011%0.108CC..EExtended strand (participates in β ladder)trans-123.2144.4178.7-54176.5000107.8S289 L290 V291 Y343 I418 L439 L442 V449 I453S289-I401 PolarHBondContact O-N 3.42Å; L290-I401 HydrophobicContact CD1-CB 3.9Å; L290-I401 HydrophobicContact CD1-CG2 3.93Å; V291-I401 WeakPolarHBondContact CB-O 3.44Å; V291-I401 PolarHBondContact N-O 3.41Å; Y343-I401 HydrophobicContact CE1-CD1 3.76Å; Y343-I401 WeakPolarHBondContact OH-CD1 3.45Å; I401-I418 HydrophobicContact CG2-CD1 3.6Å; I401-I418 HydrophobicContact CG2-CG1 3.97Å; I401-L439 HydrophobicContact CD1-CD2 3.86Å; I401-L439 HydrophobicContact CG2-CD2 4.35Å; I401-L442 HydrophobicContact CD1-CD1 3.48Å; I401-L442 VanDerWaalsContact CD1-CD1 3.48Å; I401-V449 HydrophobicContact CD1-CG1 4.15Å; I401-V449 HydrophobicContact CG1-CB 4.24Å; I401-V449 HydrophobicContact CG1-CG1 4.08Å; I401-V449 HydrophobicContact CG1-CG2 4.09Å; I401-I453 HydrophobicContact CB-CD1 4.48Å; I401-I453 HydrophobicContact CG1-CD1 4.04Å; I401-I453 HydrophobicContact CG2-CD1 4.01Å
402I98.9Very high98Very high0 Ų017.1 Ų17.10%010%0.099CC..EExtended strand (participates in β ladder)trans-118.4135.2165.1-174.5164.5000111.1V291 K388 L390 D404 F410 N416 G417 I418V291-I402 HydrophobicContact CB-CB 3.94Å; V291-I402 HydrophobicContact CB-CD1 4.31Å; V291-I402 HydrophobicContact CB-CG1 3.93Å; V291-I402 HydrophobicContact CG1-CB 4.39Å; V291-I402 HydrophobicContact CG1-CD1 3.79Å; V291-I402 HydrophobicContact CG1-CG1 3.9Å; V291-I402 CarbonylContact O-C 3.48Å; V291-I402 WeakPolarHBondContact O-CA 2.97Å; K388-I402 HydrophobicContact CB-CD1 4.14Å; K388-I402 HydrophobicContact CD-CD1 3.92Å; L390-I402 HydrophobicContact CD1-CB 4.49Å; L390-I402 HydrophobicContact CD1-CG2 4.11Å; L390-I402 HydrophobicContact CD2-CB 4.24Å; L390-I402 HydrophobicContact CD2-CD1 4.13Å; L390-I402 HydrophobicContact CD2-CG2 4.45Å; I402-D404 HydrophobicContact CG1-CB 4.37Å; I402-F410 HydrophobicContact CD1-CB 4.37Å; I402-F410 HydrophobicContact CG2-CB 3.67Å; I402-F410 HydrophobicContact CG2-CD1 4.36Å; I402-F410 HydrophobicContact CG2-CG 3.98Å; I402-N416 PolarHBondContact N-O 3Å; I402-G417 WeakPolarHBondContact O-CA 3.43Å; I402-I418 PolarHBondContact O-N 2.95Å
403I98.9Very high98.1Very high0 Ų017.2 Ų17.20%010%0.099CC..EExtended strand (participates in β ladder)trans-113.7124.8168.8-58.6166.5000107.9L290 V291 L292 D293 F335 I418 I420 L435 L439L290-I403 HydrophobicContact CD1-CD1 3.83Å; L290-I403 HydrophobicContact CD1-CG1 4.17Å; V291-I403 PolarHBondContact O-N 3.46Å; L292-I403 HydrophobicContact CD2-CB 3.93Å; L292-I403 HydrophobicContact CD2-CD1 3.79Å; L292-I403 HydrophobicContact CD2-CG1 4.24Å; D293-I403 PolarHBondContact N-O 3.01Å; F335-I403 HydrophobicContact CZ-CD1 3.83Å; I403-I418 WeakPolarHBondContact CA-O 3.31Å; I403-I418 HydrophobicContact CG1-CB 3.96Å; I403-I418 HydrophobicContact CG1-CD1 4.42Å; I403-I418 HydrophobicContact CG1-CG2 4.12Å; I403-I420 HydrophobicContact CG2-CB 4.05Å; I403-I420 HydrophobicContact CG2-CD1 4.34Å; I403-I420 HydrophobicContact CG2-CG2 3.97Å; I403-L435 HydrophobicContact CD1-CD1 3.91Å; I403-L435 HydrophobicContact CG1-CD1 4.36Å; I403-L435 HydrophobicContact CG2-CD1 3.94Å; I403-L439 HydrophobicContact CD1-CD1 3.88Å; I403-L439 HydrophobicContact CD1-CD2 4.37Å
404D98.8Very high98.1Very high2 Ų217.8 Ų17.81%0.01110%0.102CC..EExtended strand (participates in β ladder)trans-155.5142.6-172.3-162.6-51.4000109.1D293 K388 I402 S406 A409 F410 I418 I420D293-D404 HydrophobicContact CB-CB 4.41Å; K388-D404 WeakPolarHBondContact CE-OD2 3.31Å; K388-D404 IonicContact NZ-OD2 3.23Å; K388-D404 PolarHBondContact NZ-OD2 2.87Å; I402-D404 HydrophobicContact CG1-CB 4.37Å; D404-S406 PolarHBondContact O-N 2.96Å; D404-S406 VanDerWaalsContact OD1-CB 3.31Å; D404-S406 WeakPolarHBondContact OD1-CB 3.17Å; D404-S406 PolarHBondContact OD1-N 3Å; D404-A409 VanDerWaalsContact OD2-CB 3.29Å; D404-A409 WeakPolarHBondContact OD2-CB 3.33Å; D404-F410 HydrophobicContact CB-CD1 3.73Å; D404-F410 HydrophobicContact CB-CE1 3.84Å; D404-I418 PolarHBondContact N-O 2.81Å; D404-I420 PolarHBondContact O-N 3.34Å
405N98.2Very high98.2Very high16 Ų1617.2 Ų17.29%0.0869%0.092CC..SBendtrans-78.1-11.317872.7-45.3000113.2E296 T297 I420 S422E296-N405 WeakPolarHBondContact CB-ND2 3.37Å; T297-N405 PolarHBondContact OG1-N 3.02Å; N405-I420 WeakPolarHBondContact CA-O 3.31Å; N405-I420 HydrophobicContact CB-CG2 4.12Å; N405-S422 PolarHBondContact ND2-OG 2.97Å
406S97.2Very high98.2Very high3 Ų316.2 Ų16.22%0.0219%0.089CC..  trans-117.199.1-170.6-53.90000110.1V148 D404 Q408 A409V148-S406 WeakPolarHBondContact CG1-OG 3.38Å; D404-S406 PolarHBondContact O-N 2.96Å; D404-S406 VanDerWaalsContact OD1-CB 3.31Å; D404-S406 WeakPolarHBondContact OD1-CB 3.17Å; D404-S406 PolarHBondContact OD1-N 3Å; S406-Q408 VanDerWaalsContact C-OE1 3.26Å; S406-Q408 PolarHBondContact O-N 3.18Å; S406-Q408 VanDerWaalsContact O-N 3.08Å; S406-A409 VanDerWaalsContact O-CB 3.23Å; S406-A409 WeakPolarHBondContact O-CB 3.24Å; S406-A409 PolarHBondContact O-N 3.4Å
407P96.8Very high98.2Very high16 Ų1611.8 Ų11.810%0.1047%0.065CC..G310 helixtrans-53.5-35.2-175.7-28.436000114.3Y258 I261 A409 F410Y258-P407 HydrophobicContact CE1-CB 4.16Å; I261-P407 HydrophobicContact CD1-CB 3.9Å; P407-A409 PolarHBondContact O-N 3.21Å; P407-F410 HydrophobicContact CB-CZ 4.4Å; P407-F410 PolarHBondContact O-N 3.1Å
408Q96.8Very high98.3Very high7 Ų710.4 Ų10.43%0.0336%0.058CC..G310 helixtrans-65.6-24.3177.672.7-80.427.300113.7F255 P257 F260 I261 S406 F410 A411F255-Q408 HydrophobicContact CE1-CG 4.15Å; F255-Q408 HydrophobicContact CZ-CB 4.42Å; F255-Q408 HydrophobicContact CZ-CG 4.11Å; P257-Q408 HydrophobicContact CB-CB 4.2Å; F260-Q408 HydrophobicContact CD1-CB 3.55Å; F260-Q408 HydrophobicContact CD1-CG 4.43Å; F260-Q408 HydrophobicContact CE1-CB 3.87Å; I261-Q408 HydrophobicContact CG1-CB 4.41Å; S406-Q408 VanDerWaalsContact C-OE1 3.26Å; S406-Q408 PolarHBondContact O-N 3.18Å; S406-Q408 VanDerWaalsContact O-N 3.08Å; Q408-F410 PolarHBondContact O-N 3.11Å; Q408-A411 PolarHBondContact O-N 3.24Å
409A98.1Very high98.2Very high6 Ų611.3 Ų11.35%0.056%0.063CC..G310 helixtrans-67.2-17.7179.100000112.6K388 D404 S406 P407K388-A409 WeakPolarHBondContact CB-O 3.24Å; K388-A409 HydrophobicContact CD-CB 4.33Å; K388-A409 PolarHBondContact N-O 3.07Å; D404-A409 VanDerWaalsContact OD2-CB 3.29Å; D404-A409 WeakPolarHBondContact OD2-CB 3.33Å; S406-A409 VanDerWaalsContact O-CB 3.23Å; S406-A409 WeakPolarHBondContact O-CB 3.24Å; S406-A409 PolarHBondContact O-N 3.4Å; P407-A409 PolarHBondContact O-N 3.21Å
410F98.1Very high98.2Very high0 Ų011 Ų110%06%0.062CC..G310 helixtrans-123.32517755.6-95.5000113.7I402 D404 P407 Q408 Y412 Q413 L414 L459I402-F410 HydrophobicContact CD1-CB 4.37Å; I402-F410 HydrophobicContact CG2-CB 3.67Å; I402-F410 HydrophobicContact CG2-CD1 4.36Å; I402-F410 HydrophobicContact CG2-CG 3.98Å; D404-F410 HydrophobicContact CB-CD1 3.73Å; D404-F410 HydrophobicContact CB-CE1 3.84Å; P407-F410 HydrophobicContact CB-CZ 4.4Å; P407-F410 PolarHBondContact O-N 3.1Å; Q408-F410 PolarHBondContact O-N 3.11Å; F410-Y412 VanDerWaalsContact C-N 3.3Å; F410-Y412 PolarHBondContact O-N 3.3Å; F410-Y412 VanDerWaalsContact O-N 3.15Å; F410-Q413 CarbonylContact O-C 3.22Å; F410-Q413 VanDerWaalsContact O-C 3.26Å; F410-Q413 PolarHBondContact O-N 2.89Å; F410-L414 HydrophobicContact CD2-CD1 4.08Å; F410-L414 HydrophobicContact CE2-CD1 3.83Å; F410-L414 PolarHBondContact O-N 2.98Å; F410-L459 HydrophobicContact CE2-CD1 3.55Å; F410-L459 HydrophobicContact CZ-CD1 3.81Å
411A97.8Very high98.2Very high13 Ų1317.3 Ų17.311%0.1079%0.092CC..G310 helixtrans-46.4-46.1-177.400000114.5I261 V264 I387 Q408 Q413I261-A411 HydrophobicContact CB-CB 4.29Å; I261-A411 HydrophobicContact CG1-CB 3.8Å; I261-A411 HydrophobicContact CG2-CB 4.14Å; V264-A411 HydrophobicContact CG2-CB 3.87Å; I387-A411 HydrophobicContact CD1-CB 4.38Å; I387-A411 HydrophobicContact CG2-CB 4.2Å; Q408-A411 PolarHBondContact O-N 3.24Å; A411-Q413 PolarHBondContact O-N 3.47Å
412Y97.9Very high98.1Very high53 Ų5319.2 Ų19.221%0.20811%0.105CC..G310 helixtrans-64.3-19.9-179.6-69.2-56.7000114.6V264 P265 L267 V380 I387 D389 F410V264-Y412 HydrophobicContact CG1-CD1 4.12Å; V264-Y412 HydrophobicContact CG1-CE1 3.36Å; V264-Y412 HydrophobicContact CG1-CE2 4.16Å; V264-Y412 WeakPolarHBondContact CG1-OH 3.28Å; P265-Y412 VanDerWaalsContact O-CE1 3.28Å; P265-Y412 WeakPolarHBondContact O-CE1 3.39Å; P265-Y412 PolarHBondContact O-OH 3.21Å; L267-Y412 HydrophobicContact CD1-CD1 4.39Å; L267-Y412 HydrophobicContact CD1-CD2 4.45Å; L267-Y412 HydrophobicContact CD1-CG 4.3Å; L267-Y412 HydrophobicContact CD2-CD1 4.44Å; L267-Y412 HydrophobicContact CD2-CD2 3.84Å; L267-Y412 HydrophobicContact CD2-CE1 4.05Å; L267-Y412 HydrophobicContact CD2-CE2 3.4Å; L267-Y412 HydrophobicContact CD2-CG 4.36Å; L267-Y412 HydrophobicContact CG-CD1 3.98Å; L267-Y412 HydrophobicContact CG-CD2 4.19Å; L267-Y412 HydrophobicContact CG-CE1 3.77Å; L267-Y412 HydrophobicContact CG-CE2 4.01Å; L267-Y412 HydrophobicContact CG-CG 4.19Å; V380-Y412 HydrophobicContact CB-CE2 4.33Å; V380-Y412 HydrophobicContact CG1-CE2 4.35Å; I387-Y412 HydrophobicContact CB-CD2 4.19Å; I387-Y412 HydrophobicContact CB-CE2 4.08Å; I387-Y412 HydrophobicContact CD1-CD2 4.44Å; I387-Y412 HydrophobicContact CD1-CE2 3.86Å; I387-Y412 HydrophobicContact CG2-CD2 3.5Å; I387-Y412 VanDerWaalsContact CG2-CD2 3.5Å; I387-Y412 HydrophobicContact CG2-CE2 3.87Å; I387-Y412 HydrophobicContact CG2-CG 4.39Å; D389-Y412 HydrophobicContact CB-CD2 4.25Å; F410-Y412 VanDerWaalsContact C-N 3.3Å; F410-Y412 PolarHBondContact O-N 3.3Å; F410-Y412 VanDerWaalsContact O-N 3.15Å
413Q98.1Very high98.1Very high14 Ų1419.8 Ų19.87%0.06511%0.108CC..G310 helixtrans-136.350.5-179.7-65.789.912.900111.3D389 L390 N391 L397 F410 A411 S415 N416 G417D389-Q413 PolarHBondContact OD1-NE2 3.3Å; L390-Q413 HydrophobicContact CB-CG 4.06Å; L390-Q413 HydrophobicContact CD1-CB 3.76Å; L390-Q413 HydrophobicContact CD1-CG 4.13Å; L390-Q413 HydrophobicContact CG-CB 4.15Å; L390-Q413 HydrophobicContact CG-CG 4.18Å; N391-Q413 PolarHBondContact ND2-NE2 2.83Å; N391-Q413 VanDerWaalsContact ND2-NE2 3.11Å; L397-Q413 HydrophobicContact CD1-CG 4.19Å; F410-Q413 CarbonylContact O-C 3.22Å; F410-Q413 VanDerWaalsContact O-C 3.26Å; F410-Q413 PolarHBondContact O-N 2.89Å; A411-Q413 PolarHBondContact O-N 3.47Å; Q413-S415 PolarHBondContact O-N 3.08Å; Q413-N416 HydrophobicContact CB-CB 4.08Å; Q413-N416 WeakPolarHBondContact O-CA 3.46Å; Q413-N416 WeakPolarHBondContact O-CB 3.29Å; Q413-N416 PolarHBondContact O-N 2.79Å; Q413-G417 PolarHBondContact O-N 3.21Å
414L97.8Very high97.9Very high12 Ų1224 Ų246%0.06313%0.126CC..G310 helixtrans-52.4-31.7-178.1-160.171.9000114.2I261 F410 N416 G417 L459 L463I261-L414 HydrophobicContact CD1-CD1 4.02Å; I261-L414 HydrophobicContact CG2-CD1 4.35Å; I261-L414 HydrophobicContact CG2-CD2 4.36Å; F410-L414 HydrophobicContact CD2-CD1 4.08Å; F410-L414 HydrophobicContact CE2-CD1 3.83Å; F410-L414 PolarHBondContact O-N 2.98Å; L414-N416 VanDerWaalsContact C-N 3.29Å; L414-N416 PolarHBondContact O-N 2.89Å; L414-G417 PolarHBondContact O-N 2.98Å; L414-L459 HydrophobicContact CD1-CB 4.06Å; L414-L459 HydrophobicContact CD1-CD1 3.99Å; L414-L459 HydrophobicContact CD2-CB 3.94Å; L414-L459 HydrophobicContact CG-CB 3.85Å; L414-L459 HydrophobicContact CG-CD1 4.34Å; L414-L463 HydrophobicContact CD2-CD1 4.02Å; L414-L463 HydrophobicContact CD2-CD2 4.28Å; L414-L463 HydrophobicContact CD2-CG 4.31Å
415S98.5Very high97.8Very high29 Ų2929.1 Ų29.120%0.20315%0.151CC..G310 helixtrans-74.9-10.1175.7-49.90000114.9Q413 R450 I453 H460Q413-S415 PolarHBondContact O-N 3.08Å; S415-R450 WeakPolarHBondContact O-CA 3.13Å; S415-I453 WeakPolarHBondContact O-CB 3.2Å; S415-I453 WeakPolarHBondContact O-CG2 3.31Å; S415-H460 PolarHBondContact OG-CE1 3.17Å; S415-H460 PolarHBondContact OG-NE2 3.5Å
416N98.9Very high97.7Very high6 Ų632.2 Ų32.23%0.03217%0.168CC..G310 helixtrans-99.7-8.8174.5-70.287.7000112.2L390 L397 T400 I402 Q413 L414 R450L390-N416 HydrophobicContact CD1-CB 3.67Å; L397-N416 PolarHBondContact O-ND2 2.77Å; T400-N416 PolarHBondContact O-ND2 3.44Å; I402-N416 PolarHBondContact N-O 3Å; Q413-N416 HydrophobicContact CB-CB 4.08Å; Q413-N416 WeakPolarHBondContact O-CA 3.46Å; Q413-N416 WeakPolarHBondContact O-CB 3.29Å; Q413-N416 PolarHBondContact O-N 2.79Å; L414-N416 VanDerWaalsContact C-N 3.29Å; L414-N416 PolarHBondContact O-N 2.89Å; N416-R450 WeakPolarHBondContact ND2-CG 3.12Å; N416-R450 VanDerWaalsContact OD1-CD 3.29Å; N416-R450 WeakPolarHBondContact OD1-CD 3.41Å
417G98.6Very high97.7Very high0 Ų038.9 Ų38.90%020%0.196CC..EExtended strand (participates in β ladder)trans-94.3132.8-172.100000114.4I402 Q413 L414 I453I402-G417 WeakPolarHBondContact O-CA 3.43Å; Q413-G417 PolarHBondContact O-N 3.21Å; L414-G417 PolarHBondContact O-N 2.98Å; G417-I453 WeakPolarHBondContact O-CG2 3.34Å
418I98.8Very high97.7Very high0 Ų044.2 Ų44.20%022%0.224CC..EExtended strand (participates in β ladder)trans-107.6114.2171.3-66.1-176.5000107I401 I402 I403 D404 L435 F438 L439 I453 F457I401-I418 HydrophobicContact CG2-CD1 3.6Å; I401-I418 HydrophobicContact CG2-CG1 3.97Å; I402-I418 PolarHBondContact O-N 2.95Å; I403-I418 WeakPolarHBondContact CA-O 3.31Å; I403-I418 HydrophobicContact CG1-CB 3.96Å; I403-I418 HydrophobicContact CG1-CD1 4.42Å; I403-I418 HydrophobicContact CG1-CG2 4.12Å; D404-I418 PolarHBondContact N-O 2.81Å; I418-L435 HydrophobicContact CG2-CD1 4.04Å; I418-L435 HydrophobicContact CG2-CD2 3.77Å; I418-F438 HydrophobicContact CD1-CD1 4.01Å; I418-F438 HydrophobicContact CD1-CE1 3.87Å; I418-L439 HydrophobicContact CD1-CD2 3.92Å; I418-I453 HydrophobicContact CD1-CD1 4.49Å; I418-I453 HydrophobicContact CD1-CG1 4.47Å; I418-I453 HydrophobicContact CG1-CD1 4.33Å; I418-I453 HydrophobicContact CG1-CG1 4.28Å; I418-I453 HydrophobicContact CG1-CG2 4.26Å; I418-F457 HydrophobicContact CB-CE2 4.25Å; I418-F457 HydrophobicContact CB-CZ 4.45Å; I418-F457 HydrophobicContact CD1-CE2 4.15Å; I418-F457 HydrophobicContact CG1-CD2 4.26Å; I418-F457 HydrophobicContact CG1-CE2 3.74Å; I418-F457 HydrophobicContact CG1-CZ 4.34Å; I418-F457 HydrophobicContact CG2-CE1 4.22Å; I418-F457 HydrophobicContact CG2-CE2 3.96Å; I418-F457 HydrophobicContact CG2-CZ 3.67Å
419P98.4Very high97.8Very high38 Ų3844.6 Ų44.625%0.24723%0.226CC..EExtended strand (participates in β ladder)trans-70.4145.7172.734-35.4000109.4F457 L459P419-F457 HydrophobicContact CG-CB 4.36Å; P419-F457 HydrophobicContact CG-CD1 3.77Å; P419-F457 HydrophobicContact CG-CE1 4.4Å; P419-F457 HydrophobicContact CG-CG 4.25Å; P419-L459 HydrophobicContact CG-CD1 4.43Å; P419-L459 HydrophobicContact CG-CD2 4.13Å
420I98.6Very high97.8Very high14 Ų1447.2 Ų47.27%0.07224%0.239CC..  trans-130.5150.9169.3-166.1171.3000109.6T297 I403 D404 N405 E431 L432 L435T297-I420 HydrophobicContact CG2-CG2 4.2Å; I403-I420 HydrophobicContact CG2-CB 4.05Å; I403-I420 HydrophobicContact CG2-CD1 4.34Å; I403-I420 HydrophobicContact CG2-CG2 3.97Å; D404-I420 PolarHBondContact O-N 3.34Å; N405-I420 WeakPolarHBondContact CA-O 3.31Å; N405-I420 HydrophobicContact CB-CG2 4.12Å; I420-E431 HydrophobicContact CD1-CB 3.88Å; I420-E431 HydrophobicContact CG1-CB 3.77Å; I420-E431 HydrophobicContact CG1-CG 4.46Å; I420-L432 HydrophobicContact CD1-CD2 3.57Å; I420-L432 HydrophobicContact CD1-CG 4.28Å; I420-L435 HydrophobicContact CD1-CD1 4Å; I420-L435 HydrophobicContact CG1-CD1 4.46Å
421E97.8Very high97.8Very high134 Ų13449 Ų4963%0.62625%0.247SC*.  trans-66.6137.3175.1-60-169163.400110.5R329 W423 E431R329-E421 VanDerWaalsContact CZ-O 3.31Å; R329-E421 PolarHBondContact NH1-O 3.02Å; R329-E421 PolarHBondContact NH2-O 2.88Å; E421-W423 PolarHBondContact O-N 2.66Å; E421-E431 HydrophobicContact CB-CG 4.33Å
422S97.9Very high97.9Very high41 Ų4148.4 Ų48.429%0.28724%0.243SC..  trans-65.7128.3175.9-64.10000110.4N405N405-S422 PolarHBondContact ND2-OG 2.97Å
423W98.3Very high97.9Very high12 Ų1249 Ų495%0.04525%0.249CC..  trans-112.9133.5-175.2-177.786.3000112.9E296 H300 R327 L328 R329 E421 D426 D429E296-W423 PolarHBondContact O-N 3Å; H300-W423 HydrophobicContact CB-CE3 3.94Å; H300-W423 HydrophobicContact CB-CZ3 3.87Å; R327-W423 HydrophobicContact CB-CH2 3.63Å; R327-W423 HydrophobicContact CB-CZ3 3.76Å; L328-W423 WeakPolarHBondContact O-CH2 3.46Å; R329-W423 HydrophobicContact CB-CD2 3.88Å; R329-W423 HydrophobicContact CB-CE3 3.85Å; R329-W423 HydrophobicContact CB-CG 4.31Å; R329-W423 HydrophobicContact CB-CZ3 4.22Å; R329-W423 HydrophobicContact CG-CB 4.18Å; R329-W423 HydrophobicContact CG-CD2 3.79Å; R329-W423 HydrophobicContact CG-CE3 4.27Å; R329-W423 HydrophobicContact CG-CG 3.73Å; R329-W423 VanDerWaalsContact CZ-CB 3.47Å; E421-W423 PolarHBondContact O-N 2.66Å; W423-D426 PolarHBondContact NE1-O 3.1Å; W423-D429 VanDerWaalsContact CD1-OD2 3.28Å
424F95.6Very high97.9Very high89 Ų8953.3 Ų53.339%0.3927%0.268SS..SBendtrans-126.9-38.2-175.4-58.6-83.9000114.1E296 H300 R327E296-F424 HydrophobicContact CG-CD1 4.04Å; E296-F424 HydrophobicContact CG-CE1 3.44Å; E296-F424 VanDerWaalsContact CG-CE1 3.44Å; E296-F424 HydrophobicContact CG-CZ 3.81Å; H300-F424 PolarHBondContact CD2-O 2.77Å; H300-F424 VanDerWaalsContact CD2-O 3.23Å; H300-F424 AromaticContact CE1-CD1 3.8Å; H300-F424 AromaticContact ND1-CD1 3.66Å; R327-F424 WeakPolarHBondContact CD-O 3.34Å; R327-F424 PolarHBondContact NH1-O 2.76Å
425M95.7Very high98Very high109 Ų10953.2 Ų53.254%0.53727%0.267SS..SBendtrans-164.4-5.3-177.471.5-168.2-56.700117.3K427M425-K427 PolarHBondContact O-N 2.97Å
426D96.9Very high98Very high80 Ų8052.9 Ų52.943%0.42826%0.263SS..  trans-69.4119.4-175.3-174.313.8000111.3W423 N428 D429W423-D426 PolarHBondContact NE1-O 3.1Å; D426-N428 PolarHBondContact O-N 3.29Å; D426-N428 WeakPolarHBondContact OD1-CB 3.2Å; D426-N428 PolarHBondContact OD1-N 2.91Å; D426-N428 PolarHBondContact OD1-ND2 3.16Å; D426-D429 WeakPolarHBondContact O-CB 3.28Å; D426-D429 PolarHBondContact O-N 3.49Å
427K95.8Very high98Very high143 Ų14356.6 Ų56.662%0.62229%0.287SS*.THydrogen-bonded Turntrans-81.2-4.6-179-65.6167.9-171.5172.60112.2D308 M425D308-K427 WeakPolarHBondContact OD2-CE 3.33Å; D308-K427 IonicContact OD2-NZ 3.55Å; D308-K427 PolarHBondContact OD2-NZ 3.16Å; M425-K427 PolarHBondContact O-N 2.97Å
428N97.8Very high98Very high129 Ų12957.7 Ų57.769%0.6929%0.292SS*.THydrogen-bonded Turntrans-101.8-0.7174.3-47.5-86.3000113.1D426D426-N428 PolarHBondContact O-N 3.29Å; D426-N428 WeakPolarHBondContact OD1-CB 3.2Å; D426-N428 PolarHBondContact OD1-N 2.91Å; D426-N428 PolarHBondContact OD1-ND2 3.16Å
429D98.6Very high98Very high15 Ų1557.7 Ų57.78%0.0829%0.292CS..  trans-53.2139.6175.1-177.6-73.4000110.7R329 P330 F331 W423 D426 E431R329-D429 IonicContact CZ-OD1 3.8Å; R329-D429 IonicContact CZ-OD2 2.73Å; R329-D429 VanDerWaalsContact NE-CG 3.33Å; R329-D429 IonicContact NE-OD1 2.76Å; R329-D429 PolarHBondContact NE-OD1 3.19Å; R329-D429 IonicContact NE-OD2 2.66Å; R329-D429 PolarHBondContact NE-OD2 3.21Å; R329-D429 IonicContact NH2-OD1 3.62Å; R329-D429 IonicContact NH2-OD2 2.58Å; R329-D429 PolarHBondContact NH2-OD2 3Å; P330-D429 WeakPolarHBondContact CB-O 3.47Å; P330-D429 HydrophobicContact CG-CB 4.06Å; F331-D429 WeakPolarHBondContact CE2-O 3.49Å; W423-D429 VanDerWaalsContact CD1-OD2 3.28Å; D426-D429 WeakPolarHBondContact O-CB 3.28Å; D426-D429 PolarHBondContact O-N 3.49Å; D429-E431 PolarHBondContact OD1-N 2.68Å; D429-E431 VanDerWaalsContact OD1-N 3.08Å
430N98.4Very high98Very high61 Ų6158.6 Ų58.633%0.32629%0.293SS..  trans-145.725.6175.356.521.4000112.3F331 L432 L433 K434F331-N430 HydrophobicContact CD2-CB 4.48Å; F331-N430 HydrophobicContact CE2-CB 4.23Å; N430-L432 VanDerWaalsContact C-N 3.35Å; N430-L432 PolarHBondContact O-N 2.86Å; N430-L433 HydrophobicContact CB-CB 4.47Å; N430-L433 HydrophobicContact CB-CD1 4.45Å; N430-L433 WeakPolarHBondContact O-CB 3.12Å; N430-L433 PolarHBondContact O-N 2.96Å; N430-L433 VanDerWaalsContact O-N 3.15Å; N430-K434 WeakPolarHBondContact O-CG 3.34Å; N430-K434 PolarHBondContact O-N 3.49Å; N430-K434 WeakPolarHBondContact OD1-CD 3.38Å; N430-K434 WeakPolarHBondContact OD1-CE 3.47Å; N430-K434 PolarHBondContact OD1-NZ 3.37Å
431E98.6Very high98Very high36 Ų3662 Ų6217%0.16831%0.307CS..Hα-helixtrans-64.1-40.6-178.6-66.6-48.1127.800111.9I420 E421 D429 L433 K434 L435I420-E431 HydrophobicContact CD1-CB 3.88Å; I420-E431 HydrophobicContact CG1-CB 3.77Å; I420-E431 HydrophobicContact CG1-CG 4.46Å; E421-E431 HydrophobicContact CB-CG 4.33Å; D429-E431 PolarHBondContact OD1-N 2.68Å; D429-E431 VanDerWaalsContact OD1-N 3.08Å; E431-L433 VanDerWaalsContact C-N 3.27Å; E431-L433 PolarHBondContact O-N 2.86Å; E431-K434 WeakPolarHBondContact O-CB 3.05Å; E431-K434 PolarHBondContact O-N 2.92Å; E431-K434 VanDerWaalsContact O-N 3.11Å; E431-K434 VanDerWaalsContact OE1-CD 3.31Å; E431-K434 WeakPolarHBondContact OE1-CD 3.48Å; E431-K434 IonicContact OE1-NZ 2.88Å; E431-K434 PolarHBondContact OE1-NZ 3.08Å; E431-K434 VanDerWaalsContact OE2-CD 3.28Å; E431-K434 WeakPolarHBondContact OE2-CD 3.42Å; E431-L435 WeakPolarHBondContact O-CG 3.3Å; E431-L435 PolarHBondContact O-N 3.14Å; E431-L435 VanDerWaalsContact O-N 3.12Å
432L98.7Very high98Very high1 Ų155.7 Ų55.71%0.00528%0.278CS..Hα-helixtrans-59-39.5174.4-64.5-179.6000111.7L298 R329 F332 F335 I420 N430 L435 I436L298-L432 HydrophobicContact CD2-CD1 3.93Å; L298-L432 HydrophobicContact CD2-CD2 4.05Å; R329-L432 HydrophobicContact CB-CD1 4.34Å; R329-L432 HydrophobicContact CG-CD1 4.13Å; F332-L432 HydrophobicContact CB-CD1 3.82Å; F335-L432 HydrophobicContact CB-CB 4.08Å; F335-L432 HydrophobicContact CB-CD1 4.48Å; F335-L432 HydrophobicContact CD1-CD2 4.27Å; F335-L432 HydrophobicContact CD2-CB 4Å; F335-L432 HydrophobicContact CD2-CD2 4.49Å; F335-L432 WeakPolarHBondContact CD2-O 3.45Å; F335-L432 HydrophobicContact CE1-CD2 4.35Å; F335-L432 HydrophobicContact CG-CB 4.04Å; F335-L432 HydrophobicContact CG-CD2 4.34Å; I420-L432 HydrophobicContact CD1-CD2 3.57Å; I420-L432 HydrophobicContact CD1-CG 4.28Å; N430-L432 VanDerWaalsContact C-N 3.35Å; N430-L432 PolarHBondContact O-N 2.86Å; L432-L435 PolarHBondContact O-N 2.91Å; L432-I436 WeakPolarHBondContact O-CG1 3.38Å
433L98.5Very high98.1Very high65 Ų6555.5 Ų55.534%0.3428%0.275SS..Hα-helixtrans-68.4-39.5174.4-65.7-175.5000112.6F331 N430 E431 L435 I436 P437F331-L433 HydrophobicContact CB-CD1 4.23Å; F331-L433 HydrophobicContact CB-CD2 3.72Å; F331-L433 HydrophobicContact CB-CG 3.72Å; F331-L433 HydrophobicContact CD1-CD1 3.79Å; F331-L433 HydrophobicContact CD1-CD2 4.34Å; F331-L433 HydrophobicContact CD1-CG 4.24Å; F331-L433 HydrophobicContact CD2-CD1 3.52Å; F331-L433 HydrophobicContact CD2-CG 3.71Å; F331-L433 HydrophobicContact CE1-CD1 3.98Å; F331-L433 HydrophobicContact CE2-CD1 3.73Å; F331-L433 HydrophobicContact CE2-CG 4.41Å; F331-L433 HydrophobicContact CG-CD1 3.54Å; F331-L433 HydrophobicContact CG-CD2 3.95Å; F331-L433 HydrophobicContact CG-CG 3.6Å; F331-L433 HydrophobicContact CZ-CD1 3.95Å; N430-L433 HydrophobicContact CB-CB 4.47Å; N430-L433 HydrophobicContact CB-CD1 4.45Å; N430-L433 WeakPolarHBondContact O-CB 3.12Å; N430-L433 PolarHBondContact O-N 2.96Å; N430-L433 VanDerWaalsContact O-N 3.15Å; E431-L433 VanDerWaalsContact C-N 3.27Å; E431-L433 PolarHBondContact O-N 2.86Å; L433-L435 PolarHBondContact O-N 2.9Å; L433-I436 HydrophobicContact CD2-CD1 3.84Å; L433-I436 PolarHBondContact O-N 2.76Å; L433-P437 WeakPolarHBondContact O-CD 3.4Å
434K98.5Very high98.1Very high106 Ų10661.4 Ų61.446%0.46130%0.303SS..Hα-helixtrans-61-26.8177.1-75.7158.8164.9157.80112.9N430 E431N430-K434 WeakPolarHBondContact O-CG 3.34Å; N430-K434 PolarHBondContact O-N 3.49Å; N430-K434 WeakPolarHBondContact OD1-CD 3.38Å; N430-K434 WeakPolarHBondContact OD1-CE 3.47Å; N430-K434 PolarHBondContact OD1-NZ 3.37Å; E431-K434 WeakPolarHBondContact O-CB 3.05Å; E431-K434 PolarHBondContact O-N 2.92Å; E431-K434 VanDerWaalsContact O-N 3.11Å; E431-K434 VanDerWaalsContact OE1-CD 3.31Å; E431-K434 WeakPolarHBondContact OE1-CD 3.48Å; E431-K434 IonicContact OE1-NZ 2.88Å; E431-K434 PolarHBondContact OE1-NZ 3.08Å; E431-K434 VanDerWaalsContact OE2-CD 3.28Å; E431-K434 WeakPolarHBondContact OE2-CD 3.42Å
435L98.7Very high98.2Very high9 Ų960.4 Ų60.45%0.04730%0.301CS..Hα-helixtrans-80.7-28.7176.9-65.8-177.7000114F335 I403 I418 I420 E431 L432 L433 F438 L439 F457F335-L435 HydrophobicContact CE2-CB 4.34Å; I403-L435 HydrophobicContact CD1-CD1 3.91Å; I403-L435 HydrophobicContact CG1-CD1 4.36Å; I403-L435 HydrophobicContact CG2-CD1 3.94Å; I418-L435 HydrophobicContact CG2-CD1 4.04Å; I418-L435 HydrophobicContact CG2-CD2 3.77Å; I420-L435 HydrophobicContact CD1-CD1 4Å; I420-L435 HydrophobicContact CG1-CD1 4.46Å; E431-L435 WeakPolarHBondContact O-CG 3.3Å; E431-L435 PolarHBondContact O-N 3.14Å; E431-L435 VanDerWaalsContact O-N 3.12Å; L432-L435 PolarHBondContact O-N 2.91Å; L433-L435 PolarHBondContact O-N 2.9Å; L435-F438 PolarHBondContact O-N 3.21Å; L435-F438 VanDerWaalsContact O-N 3.08Å; L435-L439 HydrophobicContact CB-CD1 4.12Å; L435-L439 WeakPolarHBondContact O-CG 3.36Å; L435-L439 PolarHBondContact O-N 3.45Å; L435-L439 VanDerWaalsContact O-N 3.11Å; L435-F457 HydrophobicContact CD2-CZ 4.28Å
436I98.8Very high98.2Very high23 Ų2358.9 Ų58.912%0.11830%0.295CS..Hα-helixtrans-51.5-52-174.6-65.4176.3000112.9F335 R338 M339 L432 L433 F438 L439 E440F335-I436 HydrophobicContact CD2-CD1 4.21Å; F335-I436 HydrophobicContact CD2-CG1 3.7Å; F335-I436 HydrophobicContact CE2-CG1 4.2Å; R338-I436 HydrophobicContact CG-CG2 4.13Å; M339-I436 HydrophobicContact CE-CB 4.36Å; M339-I436 HydrophobicContact CE-CG1 4.23Å; M339-I436 HydrophobicContact CE-CG2 3.96Å; L432-I436 WeakPolarHBondContact O-CG1 3.38Å; L433-I436 HydrophobicContact CD2-CD1 3.84Å; L433-I436 PolarHBondContact O-N 2.76Å; I436-F438 PolarHBondContact O-N 2.76Å; I436-L439 PolarHBondContact O-N 2.95Å; I436-E440 HydrophobicContact CG2-CG 4.17Å; I436-E440 WeakPolarHBondContact O-CB 3.48Å; I436-E440 WeakPolarHBondContact O-CG 3.38Å; I436-E440 PolarHBondContact O-N 3.41Å
437P98.7Very high98.3Very high83 Ų8360.8 Ų60.854%0.53930%0.302SS..Hα-helixtrans-66.6-22.6-176.3-21.234.3000113.8L433 K441L433-P437 WeakPolarHBondContact O-CD 3.4Å; P437-K441 WeakPolarHBondContact O-CB 3.28Å; P437-K441 PolarHBondContact O-N 3.33Å
438F98.8Very high98.4Very high23 Ų2356.3 Ų56.310%0.10128%0.284CS..Hα-helixtrans-79.4-44.6176.4-178.7-120000111.5I418 L435 I436 K441 L442 H452 I453 R456 F457I418-F438 HydrophobicContact CD1-CD1 4.01Å; I418-F438 HydrophobicContact CD1-CE1 3.87Å; L435-F438 PolarHBondContact O-N 3.21Å; L435-F438 VanDerWaalsContact O-N 3.08Å; I436-F438 PolarHBondContact O-N 2.76Å; F438-K441 PolarHBondContact O-N 3.32Å; F438-K441 VanDerWaalsContact O-N 3.13Å; F438-L442 HydrophobicContact CD1-CD1 4.16Å; F438-L442 HydrophobicContact CE1-CD1 3.66Å; F438-L442 HydrophobicContact CE1-CG 4.26Å; F438-L442 HydrophobicContact CE2-CD1 4.5Å; F438-L442 HydrophobicContact CE2-CD2 4.22Å; F438-L442 HydrophobicContact CE2-CG 4.24Å; F438-L442 HydrophobicContact CZ-CD1 3.86Å; F438-L442 HydrophobicContact CZ-CD2 4.03Å; F438-L442 HydrophobicContact CZ-CG 4.05Å; F438-L442 WeakPolarHBondContact O-CG 3.24Å; F438-L442 PolarHBondContact O-N 2.81Å; F438-H452 HydrophobicContact CZ-CB 4.48Å; F438-I453 HydrophobicContact CE1-CG1 4.12Å; F438-I453 HydrophobicContact CZ-CG1 4.26Å; F438-R456 VanDerWaalsContact CE2-CD 3.47Å; F438-R456 HydrophobicContact CZ-CB 4.31Å; F438-F457 HydrophobicContact CD1-CE2 4.14Å; F438-F457 HydrophobicContact CD1-CZ 4.47Å; F438-F457 AromaticContact CE1-CE2 3.71Å; F438-F457 HydrophobicContact CE1-CE2 3.71Å; F438-F457 HydrophobicContact CE1-CZ 4.46Å; F438-F457 HydrophobicContact CZ-CE2 4.41Å
439L98.9Very high98.5Very high0 Ų050.2 Ų50.20%025%0.252CS..Hα-helixtrans-62.3-44.6176.4-63.8168.6000110.5L290 F335 M339 Y343 I401 I403 I418 L435 I436 K441 L442 V443L290-L439 HydrophobicContact CD1-CD2 4.13Å; L290-L439 HydrophobicContact CD2-CD1 4.34Å; F335-L439 HydrophobicContact CE2-CD1 3.73Å; F335-L439 HydrophobicContact CZ-CD1 3.81Å; M339-L439 HydrophobicContact CE-CB 4.21Å; M339-L439 HydrophobicContact CE-CD1 4.49Å; M339-L439 HydrophobicContact CG-CD1 4.39Å; M339-L439 HydrophobicContact SD-CB 3.68Å; M339-L439 HydrophobicContact SD-CD1 3.52Å; M339-L439 VanDerWaalsContact SD-CD1 3.52Å; M339-L439 HydrophobicContact SD-CG 4.22Å; Y343-L439 HydrophobicContact CE2-CB 3.93Å; Y343-L439 WeakPolarHBondContact OH-CA 3.18Å; Y343-L439 PolarHBondContact OH-O 2.83Å; I401-L439 HydrophobicContact CD1-CD2 3.86Å; I401-L439 HydrophobicContact CG2-CD2 4.35Å; I403-L439 HydrophobicContact CD1-CD1 3.88Å; I403-L439 HydrophobicContact CD1-CD2 4.37Å; I418-L439 HydrophobicContact CD1-CD2 3.92Å; L435-L439 HydrophobicContact CB-CD1 4.12Å; L435-L439 WeakPolarHBondContact O-CG 3.36Å; L435-L439 PolarHBondContact O-N 3.45Å; L435-L439 VanDerWaalsContact O-N 3.11Å; I436-L439 PolarHBondContact O-N 2.95Å; L439-K441 VanDerWaalsContact C-N 3.3Å; L439-K441 PolarHBondContact O-N 2.68Å; L439-L442 PolarHBondContact O-N 3.34Å; L439-V443 PolarHBondContact O-N 3.35Å
440E98.8Very high98.5Very high58 Ų5853.6 Ų53.627%0.27126%0.263SS..Hα-helixtrans-53.8-45.1170.5-73.9176.7159.100112.3R338 M339 M342 I436 L442 V443 E444R338-E440 IonicContact CZ-OE1 3.64Å; R338-E440 IonicContact NE-OE1 2.68Å; R338-E440 PolarHBondContact NE-OE1 2.9Å; R338-E440 IonicContact NH2-OE1 2.76Å; R338-E440 PolarHBondContact NH2-OE1 3.25Å; M339-E440 HydrophobicContact CE-CG 4.45Å; M342-E440 HydrophobicContact CE-CG 3.74Å; M342-E440 HydrophobicContact SD-CG 4.11Å; I436-E440 HydrophobicContact CG2-CG 4.17Å; I436-E440 WeakPolarHBondContact O-CB 3.48Å; I436-E440 WeakPolarHBondContact O-CG 3.38Å; I436-E440 PolarHBondContact O-N 3.41Å; E440-L442 PolarHBondContact O-N 2.68Å; E440-V443 PolarHBondContact O-N 3.44Å; E440-E444 WeakPolarHBondContact O-CB 3.09Å; E440-E444 PolarHBondContact O-N 2.9Å
441K98.7Very high98.5Very high85 Ų8553.7 Ų53.737%0.3727%0.268SS..Hα-helixtrans-67.8-34.9-179.8-170.652.4171.7176.50113.4P437 F438 L439 V443 E444 L445P437-K441 WeakPolarHBondContact O-CB 3.28Å; P437-K441 PolarHBondContact O-N 3.33Å; F438-K441 PolarHBondContact O-N 3.32Å; F438-K441 VanDerWaalsContact O-N 3.13Å; L439-K441 VanDerWaalsContact C-N 3.3Å; L439-K441 PolarHBondContact O-N 2.68Å; K441-V443 VanDerWaalsContact C-N 3.33Å; K441-E444 HydrophobicContact CD-CB 4.3Å; K441-E444 WeakPolarHBondContact CD-OE2 3.4Å; K441-E444 WeakPolarHBondContact CE-OE2 3.44Å; K441-E444 IonicContact NZ-OE1 3.67Å; K441-E444 PolarHBondContact NZ-OE1 2.94Å; K441-E444 IonicContact NZ-OE2 3.91Å; K441-E444 PolarHBondContact NZ-OE2 3.05Å; K441-E444 PolarHBondContact O-N 3.39Å; K441-L445 HydrophobicContact CD-CG 4.27Å; K441-L445 HydrophobicContact CG-CD1 4.18Å; K441-L445 HydrophobicContact CG-CG 4.39Å; K441-L445 VanDerWaalsContact O-CG 3.28Å; K441-L445 WeakPolarHBondContact O-CG 3.49Å; K441-L445 PolarHBondContact O-N 3.34Å
442L98.6Very high98.5Very high2 Ų254.5 Ų54.51%0.0127%0.271CS..Hα-helixtrans-63.4-38.9175.2-71.9177.8000112.1I401 F438 L439 E440 N446 V449 H452 I453I401-L442 HydrophobicContact CD1-CD1 3.48Å; I401-L442 VanDerWaalsContact CD1-CD1 3.48Å; F438-L442 HydrophobicContact CD1-CD1 4.16Å; F438-L442 HydrophobicContact CE1-CD1 3.66Å; F438-L442 HydrophobicContact CE1-CG 4.26Å; F438-L442 HydrophobicContact CE2-CD1 4.5Å; F438-L442 HydrophobicContact CE2-CD2 4.22Å; F438-L442 HydrophobicContact CE2-CG 4.24Å; F438-L442 HydrophobicContact CZ-CD1 3.86Å; F438-L442 HydrophobicContact CZ-CD2 4.03Å; F438-L442 HydrophobicContact CZ-CG 4.05Å; F438-L442 WeakPolarHBondContact O-CG 3.24Å; F438-L442 PolarHBondContact O-N 2.81Å; L439-L442 PolarHBondContact O-N 3.34Å; E440-L442 PolarHBondContact O-N 2.68Å; L442-N446 PolarHBondContact O-N 3.23Å; L442-V449 HydrophobicContact CB-CG1 4.38Å; L442-V449 HydrophobicContact CD1-CB 4.42Å; L442-V449 HydrophobicContact CD1-CG1 4.37Å; L442-V449 HydrophobicContact CD2-CB 4.44Å; L442-V449 HydrophobicContact CD2-CG1 4.46Å; L442-H452 HydrophobicContact CD2-CB 3.58Å; L442-I453 HydrophobicContact CD1-CD1 4.34Å; L442-I453 HydrophobicContact CD1-CG1 4.19Å
443V98.3Very high98.5Very high37 Ų3754.6 Ų54.622%0.22427%0.272CS..Hα-helixtrans-70.8-40174.4-1790000111.4F288 M342 Y343 L439 E440 K441 N446F288-V443 HydrophobicContact CD2-CB 4.4Å; F288-V443 HydrophobicContact CD2-CG1 4.14Å; F288-V443 HydrophobicContact CD2-CG2 4.01Å; F288-V443 HydrophobicContact CE2-CB 4.34Å; F288-V443 HydrophobicContact CE2-CG1 4.18Å; F288-V443 HydrophobicContact CE2-CG2 4.36Å; F288-V443 HydrophobicContact CG-CG2 4.16Å; M342-V443 HydrophobicContact CB-CG2 4.42Å; Y343-V443 HydrophobicContact CD2-CG2 4.4Å; Y343-V443 HydrophobicContact CE1-CG2 4.03Å; Y343-V443 HydrophobicContact CE2-CG2 3.68Å; Y343-V443 VanDerWaalsContact CZ-CG2 3.48Å; L439-V443 PolarHBondContact O-N 3.35Å; E440-V443 PolarHBondContact O-N 3.44Å; K441-V443 VanDerWaalsContact C-N 3.33Å; V443-N446 PolarHBondContact O-N 3.49Å
444E98.3Very high98.5Very high135 Ų13557 Ų5763%0.63128%0.276SS*.Hα-helixtrans-64-40.7178.9-166.3-148.2137.300112.9E440 K441 N446E440-E444 WeakPolarHBondContact O-CB 3.09Å; E440-E444 PolarHBondContact O-N 2.9Å; K441-E444 HydrophobicContact CD-CB 4.3Å; K441-E444 WeakPolarHBondContact CD-OE2 3.4Å; K441-E444 WeakPolarHBondContact CE-OE2 3.44Å; K441-E444 IonicContact NZ-OE1 3.67Å; K441-E444 PolarHBondContact NZ-OE1 2.94Å; K441-E444 IonicContact NZ-OE2 3.91Å; K441-E444 PolarHBondContact NZ-OE2 3.05Å; K441-E444 PolarHBondContact O-N 3.39Å; E444-N446 VanDerWaalsContact C-N 3.29Å; E444-N446 PolarHBondContact O-N 2.94Å
445L97.8Very high98.5Very high68 Ų6857.5 Ų57.536%0.35628%0.284SS..Hα-helixtrans-64.3-35.3175.6-72.2166.8000111.9K441 E447K441-L445 HydrophobicContact CD-CG 4.27Å; K441-L445 HydrophobicContact CG-CD1 4.18Å; K441-L445 HydrophobicContact CG-CG 4.39Å; K441-L445 VanDerWaalsContact O-CG 3.28Å; K441-L445 WeakPolarHBondContact O-CG 3.49Å; K441-L445 PolarHBondContact O-N 3.34Å; L445-E447 PolarHBondContact O-N 3.46Å
446N97Very high98.4Very high77 Ų7763 Ų6341%0.41230%0.304SS..  trans52.229-174-155.616.8000116.2F288 K399 L442 V443 E444F288-N446 VanDerWaalsContact CE2-OD1 3.28Å; F288-N446 WeakPolarHBondContact CE2-OD1 3.09Å; F288-N446 WeakPolarHBondContact CZ-OD1 3.42Å; K399-N446 PolarHBondContact NZ-O 2.93Å; K399-N446 PolarHBondContact NZ-OD1 3.47Å; L442-N446 PolarHBondContact O-N 3.23Å; V443-N446 PolarHBondContact O-N 3.49Å; E444-N446 VanDerWaalsContact C-N 3.29Å; E444-N446 PolarHBondContact O-N 2.94Å
447E97.6Very high98.4Very high121 Ų12164.2 Ų64.257%0.56531%0.309SS*.SBendtrans-96.9-159.9175.7-68.3-176.3176.600111.4K399 L445 H452K399-E447 PolarHBondContact NZ-O 2.73Å; L445-E447 PolarHBondContact O-N 3.46Å; E447-H452 IonicContact OE2-NE2 2.64Å
448D98.8Very high98.3Very high48 Ų4867.4 Ų67.426%0.25731%0.31SS..  trans-78.2125.8171.1-174-25.4000109.3S398 R450 P451 H452S398-D448 WeakPolarHBondContact CA-OD1 3.35Å; S398-D448 WeakPolarHBondContact O-CA 3.29Å; D448-R450 PolarHBondContact O-N 2.98Å; D448-R450 VanDerWaalsContact OD1-CB 3.29Å; D448-R450 WeakPolarHBondContact OD1-CB 3.35Å; D448-R450 WeakPolarHBondContact OD1-CG 3.17Å; D448-R450 IonicContact OD1-CZ 2.77Å; D448-R450 PolarHBondContact OD1-N 3.22Å; D448-R450 IonicContact OD1-NE 3.35Å; D448-R450 PolarHBondContact OD1-NE 3.27Å; D448-R450 IonicContact OD1-NH2 2.68Å; D448-R450 IonicContact OD2-CZ 3.98Å; D448-R450 IonicContact OD2-NE 3.97Å; D448-R450 PolarHBondContact OD2-NE 3.12Å; D448-R450 IonicContact OD2-NH2 3.14Å; D448-R450 PolarHBondContact OD2-NH2 2.94Å; D448-P451 WeakPolarHBondContact O-CD 3.41Å; D448-H452 PolarHBondContact O-CD2 3.34Å; D448-H452 VanDerWaalsContact O-CD2 3.28Å
449V98.8Very high98.2Very high1 Ų166.7 Ų66.71%0.00631%0.307CS..Hα-helixtrans-67.7-23.9-178.5-59.10000113.6F288 S398 T400 I401 L442 H452 I453F288-V449 HydrophobicContact CD1-CG1 4.05Å; F288-V449 HydrophobicContact CE1-CG1 3.65Å; S398-V449 PolarHBondContact O-N 3.23Å; T400-V449 WeakPolarHBondContact O-CG2 3.26Å; I401-V449 HydrophobicContact CD1-CG1 4.15Å; I401-V449 HydrophobicContact CG1-CB 4.24Å; I401-V449 HydrophobicContact CG1-CG1 4.08Å; I401-V449 HydrophobicContact CG1-CG2 4.09Å; L442-V449 HydrophobicContact CB-CG1 4.38Å; L442-V449 HydrophobicContact CD1-CB 4.42Å; L442-V449 HydrophobicContact CD1-CG1 4.37Å; L442-V449 HydrophobicContact CD2-CB 4.44Å; L442-V449 HydrophobicContact CD2-CG1 4.46Å; V449-H452 PolarHBondContact O-N 2.86Å; V449-I453 HydrophobicContact CB-CD1 3.91Å; V449-I453 HydrophobicContact CG2-CD1 3.94Å; V449-I453 WeakPolarHBondContact O-CG1 3.45Å; V449-I453 PolarHBondContact O-N 2.92Å
450R98.8Very high98.1Very high86 Ų8669.1 Ų69.133%0.32532%0.318SS..Hα-helixtrans-69.9-40.9-163-63.5172.8-66.4-1801.6114.6L397 S415 N416 D448 R454L397-R450 WeakPolarHBondContact O-CD 3.39Å; S415-R450 WeakPolarHBondContact O-CA 3.13Å; N416-R450 WeakPolarHBondContact ND2-CG 3.12Å; N416-R450 VanDerWaalsContact OD1-CD 3.29Å; N416-R450 WeakPolarHBondContact OD1-CD 3.41Å; D448-R450 PolarHBondContact O-N 2.98Å; D448-R450 VanDerWaalsContact OD1-CB 3.29Å; D448-R450 WeakPolarHBondContact OD1-CB 3.35Å; D448-R450 WeakPolarHBondContact OD1-CG 3.17Å; D448-R450 IonicContact OD1-CZ 2.77Å; D448-R450 PolarHBondContact OD1-N 3.22Å; D448-R450 IonicContact OD1-NE 3.35Å; D448-R450 PolarHBondContact OD1-NE 3.27Å; D448-R450 IonicContact OD1-NH2 2.68Å; D448-R450 IonicContact OD2-CZ 3.98Å; D448-R450 IonicContact OD2-NE 3.97Å; D448-R450 PolarHBondContact OD2-NE 3.12Å; D448-R450 IonicContact OD2-NH2 3.14Å; D448-R450 PolarHBondContact OD2-NH2 2.94Å; R450-R454 VanDerWaalsContact O-CB 3.26Å; R450-R454 WeakPolarHBondContact O-CB 3.34Å; R450-R454 PolarHBondContact O-N 2.98Å
451P98.7Very high98Very high64 Ų6470.5 Ų70.542%0.41633%0.328SS..Hα-helixtrans-60.7-48.3171.4-22.835000111.5D448 I453 R454 D455D448-P451 WeakPolarHBondContact O-CD 3.41Å; P451-I453 VanDerWaalsContact C-N 3.34Å; P451-I453 PolarHBondContact O-N 3.41Å; P451-R454 PolarHBondContact O-N 2.81Å; P451-D455 WeakPolarHBondContact O-CB 3.47Å; P451-D455 PolarHBondContact O-N 3.01Å
452H98.6Very high97.8Very high53 Ų5370.9 Ų70.925%0.24533%0.333CS..Hα-helixtrans-63-37.1-177.6-53.8-49.1000113.4F438 L442 E447 D448 V449 R456F438-H452 HydrophobicContact CZ-CB 4.48Å; L442-H452 HydrophobicContact CD2-CB 3.58Å; E447-H452 IonicContact OE2-NE2 2.64Å; D448-H452 PolarHBondContact O-CD2 3.34Å; D448-H452 VanDerWaalsContact O-CD2 3.28Å; V449-H452 PolarHBondContact O-N 2.86Å; H452-R456 VanDerWaalsContact O-CB 3.23Å; H452-R456 WeakPolarHBondContact O-CB 3.49Å; H452-R456 PolarHBondContact O-N 2.94Å
453I98.7Very high97.7Very high2 Ų273 Ų731%0.0134%0.344CS..Hα-helixtrans-69.5-47.9174-70.4170.2000110.2I401 S415 G417 I418 F438 L442 V449 P451 D455 R456 F457I401-I453 HydrophobicContact CB-CD1 4.48Å; I401-I453 HydrophobicContact CG1-CD1 4.04Å; I401-I453 HydrophobicContact CG2-CD1 4.01Å; S415-I453 WeakPolarHBondContact O-CB 3.2Å; S415-I453 WeakPolarHBondContact O-CG2 3.31Å; G417-I453 WeakPolarHBondContact O-CG2 3.34Å; I418-I453 HydrophobicContact CD1-CD1 4.49Å; I418-I453 HydrophobicContact CD1-CG1 4.47Å; I418-I453 HydrophobicContact CG1-CD1 4.33Å; I418-I453 HydrophobicContact CG1-CG1 4.28Å; I418-I453 HydrophobicContact CG1-CG2 4.26Å; F438-I453 HydrophobicContact CE1-CG1 4.12Å; F438-I453 HydrophobicContact CZ-CG1 4.26Å; L442-I453 HydrophobicContact CD1-CD1 4.34Å; L442-I453 HydrophobicContact CD1-CG1 4.19Å; V449-I453 HydrophobicContact CB-CD1 3.91Å; V449-I453 HydrophobicContact CG2-CD1 3.94Å; V449-I453 WeakPolarHBondContact O-CG1 3.45Å; V449-I453 PolarHBondContact O-N 2.92Å; P451-I453 VanDerWaalsContact C-N 3.34Å; P451-I453 PolarHBondContact O-N 3.41Å; I453-D455 PolarHBondContact O-N 3.11Å; I453-R456 PolarHBondContact O-N 2.84Å; I453-F457 HydrophobicContact CG2-CD2 4.21Å; I453-F457 WeakPolarHBondContact O-CD2 3.5Å; I453-F457 PolarHBondContact O-N 3.08Å
454R98.2Very high97.4Very high115 Ų11572.9 Ų72.943%0.43435%0.345SS..Hα-helixtrans-56.7-48.8177.6179.1175.8-176.7163.67.1112R450 P451 R456 R458R450-R454 VanDerWaalsContact O-CB 3.26Å; R450-R454 WeakPolarHBondContact O-CB 3.34Å; R450-R454 PolarHBondContact O-N 2.98Å; P451-R454 PolarHBondContact O-N 2.81Å; R454-R456 VanDerWaalsContact C-N 3.33Å; R454-R456 PolarHBondContact O-N 3.04Å; R454-R458 VanDerWaalsContact O-CA 3.23Å; R454-R458 WeakPolarHBondContact O-CA 3.49Å; R454-R458 PolarHBondContact O-N 2.94Å
455D98.1Very high96.9Very high117 Ų11772.1 Ų72.163%0.62635%0.351SS*.Hα-helixtrans-69.7-31.5-176.1-64.7-15.4000112.2P451 I453 R458P451-D455 WeakPolarHBondContact O-CB 3.47Å; P451-D455 PolarHBondContact O-N 3.01Å; I453-D455 PolarHBondContact O-N 3.11Å; D455-R458 WeakPolarHBondContact O-CG 3.34Å
456R98.3Very high95.9Very high125 Ų12579.1 Ų79.147%0.47239%0.389SS..Hα-helixtrans-77.1-45.1178.5179175171.2126.3-5.8113.3F438 H452 I453 R454F438-R456 VanDerWaalsContact CE2-CD 3.47Å; F438-R456 HydrophobicContact CZ-CB 4.31Å; H452-R456 VanDerWaalsContact O-CB 3.23Å; H452-R456 WeakPolarHBondContact O-CB 3.49Å; H452-R456 PolarHBondContact O-N 2.94Å; I453-R456 PolarHBondContact O-N 2.84Å; R454-R456 VanDerWaalsContact C-N 3.33Å; R454-R456 PolarHBondContact O-N 3.04Å
457F97.8Very high95.8Very high48 Ų4879.3 Ų79.321%0.21139%0.388CS..Hα-helixtrans-104-17.7-170.9-64.8-76.3000114.1I418 P419 L435 F438 I453 L459I418-F457 HydrophobicContact CB-CE2 4.25Å; I418-F457 HydrophobicContact CB-CZ 4.45Å; I418-F457 HydrophobicContact CD1-CE2 4.15Å; I418-F457 HydrophobicContact CG1-CD2 4.26Å; I418-F457 HydrophobicContact CG1-CE2 3.74Å; I418-F457 HydrophobicContact CG1-CZ 4.34Å; I418-F457 HydrophobicContact CG2-CE1 4.22Å; I418-F457 HydrophobicContact CG2-CE2 3.96Å; I418-F457 HydrophobicContact CG2-CZ 3.67Å; P419-F457 HydrophobicContact CG-CB 4.36Å; P419-F457 HydrophobicContact CG-CD1 3.77Å; P419-F457 HydrophobicContact CG-CE1 4.4Å; P419-F457 HydrophobicContact CG-CG 4.25Å; L435-F457 HydrophobicContact CD2-CZ 4.28Å; F438-F457 HydrophobicContact CD1-CE2 4.14Å; F438-F457 HydrophobicContact CD1-CZ 4.47Å; F438-F457 AromaticContact CE1-CE2 3.71Å; F438-F457 HydrophobicContact CE1-CE2 3.71Å; F438-F457 HydrophobicContact CE1-CZ 4.46Å; F438-F457 HydrophobicContact CZ-CE2 4.41Å; I453-F457 HydrophobicContact CG2-CD2 4.21Å; I453-F457 WeakPolarHBondContact O-CD2 3.5Å; I453-F457 PolarHBondContact O-N 3.08Å; F457-L459 HydrophobicContact CB-CG 4.33Å; F457-L459 PolarHBondContact O-N 2.9Å
458R97.5Very high95.7Very high150 Ų15077.1 Ų77.157%0.56638%0.379SS*.  trans51.827.6169.4-61.1-176.361-169.2-4.7115.7R454 D455 H460 D461R454-R458 VanDerWaalsContact O-CA 3.23Å; R454-R458 WeakPolarHBondContact O-CA 3.49Å; R454-R458 PolarHBondContact O-N 2.94Å; D455-R458 WeakPolarHBondContact O-CG 3.34Å; R458-H460 PolarHBondContact O-N 3.27Å; R458-H460 VanDerWaalsContact O-N 3.11Å; R458-D461 HydrophobicContact CB-CB 4.48Å; R458-D461 IonicContact CZ-OD2 3.54Å; R458-D461 IonicContact NE-OD2 3.46Å; R458-D461 PolarHBondContact NE-OD2 3.13Å; R458-D461 IonicContact NH2-OD2 3.2Å; R458-D461 PolarHBondContact NH2-OD2 3.3Å; R458-D461 VanDerWaalsContact O-CB 3.31Å; R458-D461 WeakPolarHBondContact O-CB 3.46Å; R458-D461 PolarHBondContact O-N 2.77Å
459L96.7Very high95.6Very high8 Ų878.7 Ų78.74%0.04239%0.385CS..G310 helixtrans-58.3-27.7-177.6-64.1-178.7000114.1Y258 F410 L414 P419 F457 D461 L462Y258-L459 HydrophobicContact CE1-CD2 4.18Å; F410-L459 HydrophobicContact CE2-CD1 3.55Å; F410-L459 HydrophobicContact CZ-CD1 3.81Å; L414-L459 HydrophobicContact CD1-CB 4.06Å; L414-L459 HydrophobicContact CD1-CD1 3.99Å; L414-L459 HydrophobicContact CD2-CB 3.94Å; L414-L459 HydrophobicContact CG-CB 3.85Å; L414-L459 HydrophobicContact CG-CD1 4.34Å; P419-L459 HydrophobicContact CG-CD1 4.43Å; P419-L459 HydrophobicContact CG-CD2 4.13Å; F457-L459 HydrophobicContact CB-CG 4.33Å; F457-L459 PolarHBondContact O-N 2.9Å; L459-D461 PolarHBondContact O-N 2.9Å; L459-L462 HydrophobicContact CD2-CD1 3.97Å; L459-L462 PolarHBondContact O-N 2.85Å
460H96.1Very high95.4Very high51 Ų5183.2 Ų83.224%0.23641%0.408CS..G310 helixtrans-63.1-28.4173.6-70-99.3000112.7S415 R458 L462 L463S415-H460 PolarHBondContact OG-CE1 3.17Å; S415-H460 PolarHBondContact OG-NE2 3.5Å; R458-H460 PolarHBondContact O-N 3.27Å; R458-H460 VanDerWaalsContact O-N 3.11Å; H460-L462 PolarHBondContact O-N 2.93Å; H460-L463 PolarHBondContact O-N 2.78Å
461D96.4Very high95.2Very high88 Ų8883.1 Ų83.147%0.47141%0.413SS..G310 helixtrans-83.6-4.1-178.9-51.81.9000111.8R458 L459R458-D461 HydrophobicContact CB-CB 4.48Å; R458-D461 IonicContact CZ-OD2 3.54Å; R458-D461 IonicContact NE-OD2 3.46Å; R458-D461 PolarHBondContact NE-OD2 3.13Å; R458-D461 IonicContact NH2-OD2 3.2Å; R458-D461 PolarHBondContact NH2-OD2 3.3Å; R458-D461 VanDerWaalsContact O-CB 3.31Å; R458-D461 WeakPolarHBondContact O-CB 3.46Å; R458-D461 PolarHBondContact O-N 2.77Å; L459-D461 PolarHBondContact O-N 2.9Å
462L95.7Very high94.9Very high93 Ų9384.3 Ų84.349%0.48741%0.413SS..G310 helixtrans-98-9174.1-55.8179.8000112.4Y258 L459 H460Y258-L462 WeakPolarHBondContact CB-O 3.45Å; Y258-L462 HydrophobicContact CD1-CB 3.71Å; Y258-L462 HydrophobicContact CD2-CB 4.41Å; Y258-L462 HydrophobicContact CE1-CB 3.78Å; Y258-L462 HydrophobicContact CE1-CD1 3.78Å; Y258-L462 HydrophobicContact CE1-CG 4.42Å; Y258-L462 HydrophobicContact CE2-CB 4.46Å; Y258-L462 HydrophobicContact CE2-CD1 4.22Å; Y258-L462 HydrophobicContact CG-CB 4.05Å; L459-L462 HydrophobicContact CD2-CD1 3.97Å; L459-L462 PolarHBondContact O-N 2.85Å; H460-L462 PolarHBondContact O-N 2.93Å
463L95.2Very high94.7Very high45 Ų4586.6 Ų86.624%0.23643%0.425CS..SBendtrans-71.8142175.2-57.8178.6000110.2Y258 I261 L414 H460Y258-L463 HydrophobicContact CD1-CD2 4.21Å; I261-L463 HydrophobicContact CB-CD2 3.85Å; I261-L463 HydrophobicContact CG2-CD2 3.57Å; L414-L463 HydrophobicContact CD2-CD1 4.02Å; L414-L463 HydrophobicContact CD2-CD2 4.28Å; L414-L463 HydrophobicContact CD2-CG 4.31Å; H460-L463 PolarHBondContact O-N 2.78Å
464P91.9Very high94.4Very high36 Ų3693.1 Ų93.123%0.23446%0.457CS..PPolyproline II helixtrans-61.8154.8174.424.2-32.8000112Y259 K262Y259-P464 HydrophobicContact CD2-CG 4.23Å; K262-P464 HydrophobicContact CB-CG 3.94Å; K262-P464 HydrophobicContact CD-CG 4.43Å; K262-P464 WeakPolarHBondContact CE-O 3.47Å; K262-P464 HydrophobicContact CG-CG 3.99Å; K262-P464 PolarHBondContact NZ-O 2.7Å
465P87.7Confident94Very high119 Ų11991.3 Ų91.377%0.77346%0.458SS*.PPolyproline II helixtrans-60.8167.2177.427.2-35.5000112.7K262K262-P465 VanDerWaalsContact NZ-C 3.28Å; K262-P465 PolarHBondContact NZ-O 2.67Å
466D77.1Confident93.7Very high215 Ų21588.9 Ų88.9100%1.1544%0.443SS*.  trans-79.70167.9-58.6-53.9000111.6K262K262-D466 VanDerWaalsContact CE-OD1 3.3Å; K262-D466 WeakPolarHBondContact CE-OD1 3.36Å; K262-D466 IonicContact NZ-OD1 2.73Å; K262-D466 PolarHBondContact NZ-OD1 3.31Å; K262-D466 IonicContact NZ-OD2 3.66Å

Retrieved 466 of 466 residues in 135.6 ms (Link to these results)