A0A060Y6X1_ONCMY Loading...

Zic family member 1 (odd-paired homolog, Drosophila)

AlphaFold DB , UniProt , Accession A0A060Y6X1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110535166, Length 443 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.3Very low39.6Very low233 Ų233149.9 Ų149.9100%1.14884%0.84SS**  0116.20-62.7160.6-178.900104.9
2L36.9Very low39.4Very low160 Ų160150 Ų15084%0.83884%0.835SS**  57.512256.4-72.5158.6000109.9
3L38.1Very low38.8Very low145 Ų145144.3 Ų144.376%0.75983%0.831SS**  cis-130.3148.314-76.9153.2000109.5
4D36.5Very low38.6Very low145 Ų145142.2 Ų142.278%0.77582%0.821SS**  77.2126.163.9-157.50.7000114.8
5A42.7Very low38.3Very low100 Ų100142.1 Ų142.183%0.82682%0.824SS**  trans-16796.6178.600000110.6
6G36Very low38.2Very low63 Ų63139.6 Ų139.665%0.64981%0.811SS**PPolyproline II helixtrans-86163.8-175.200000116.2
7P45.7Very low37.7Very low124 Ų124143.6 Ų143.681%0.80582%0.818SS**PPolyproline II helixtrans-79.8160.1176.934-35.9000113.3
8Q40.8Very low37.1Very low194 Ų194139.7 Ų139.791%0.90781%0.814SS**PPolyproline II helixtrans-94.3146.5-172.9-59.1176.314.800113.3
9Y36.4Very low36.9Very low219 Ų219139.1 Ų139.186%0.85982%0.818SS**  trans-113.7144.2168.3-78-94.4000110.7
10P50Low36.4Very low126 Ų126137.6 Ų137.682%0.81882%0.815SS**PPolyproline II helixtrans-90.7151.1160.234.7-30.8000112.1
11T35.2Very low36.3Very low140 Ų140141.2 Ų141.286%0.85982%0.815SS**PPolyproline II helixtrans-102.8154.8-164.3-47.10000113.9
12I36.8Very low36Very low151 Ų151138.4 Ų138.477%0.77480%0.799SS**PPolyproline II helixtrans-73.7137.5173.1-59.5170.5000110.8V14I12-V14 HydrophobicContact CG2-CG2 4.04Å
13G31.8Very low35.7Very low76 Ų76138.4 Ų138.478%0.78479%0.794SS**  trans-105.7137166.100000111.9
14V35.8Very low35.2Very low115 Ų115137 Ų13770%0.69780%0.797SS**  trans-129.5134.2178.5179.60000109.7I12 T16I12-V14 HydrophobicContact CG2-CG2 4.04Å; V14-T16 HydrophobicContact CG1-CG2 4.4Å
15T35.1Very low34.9Very low140 Ų140136.7 Ų136.786%0.85980%0.8SS**  trans-135.6152.4164.950.70000110.1
16T35.8Very low34.2Very low102 Ų102135.5 Ų135.563%0.62680%0.798SS**  trans-145.5169.8-171.544.60000111.3V14V14-T16 HydrophobicContact CG1-CG2 4.4Å
17F30.7Very low33.7Very low209 Ų209141.3 Ų141.392%0.91781%0.808SS**  trans72.6148.8-178.8-53.1-82.9000115.4
18G26.5Very low33Very low73 Ų73141 Ų14175%0.75380%0.803SS**  cis-154.9173.63.800000113.8
19S32.5Very low32.5Very low128 Ų128138.6 Ų138.690%0.89580%0.802SS**  trans-84.2156.9-169.8-46.70000114.8
20S27.3Very low32.3Very low109 Ų109136.4 Ų136.476%0.76280%0.8SS**  trans-152.9164133.2-163.40000111.6
21R34.2Very low31.5Very low214 Ų214141.5 Ų141.581%0.80880%0.803SS**  trans-145.2124.9-173.5-175.7-169.1-163.3-165.16.6108.9
22H31.5Very low31.2Very low174 Ų174143 Ų14381%0.80680%0.8SS**  trans-130.4137.6172.1-89.2-92.2000111.6
23H30.9Very low30.9Very low160 Ų160142 Ų14274%0.74180%0.801SS**  trans-84.3154.1163.1-87.6-104.3000109.8
24S27.1Very low30.6Very low116 Ų116142.2 Ų142.281%0.81180%0.795SS**  trans-138.3158151.7-166.10000109
25T29.1Very low30.4Very low137 Ų137145.3 Ų145.384%0.8481%0.807SS**  trans-121.8154.9-17244.70000111.1
26G28Very low29.9Very low76 Ų76142.5 Ų142.578%0.78481%0.805SS**  trans136.9131173.200000112.2
27E25.7Very low29.8Very low184 Ų184145.4 Ų145.486%0.8682%0.815SS**  cis-179.6128.3-29.7166.4163.3-137.400104.7
28V31.3Very low30Very low117 Ų117142.6 Ų142.671%0.70981%0.81SS**  trans18.4123160.4-174.80000120
29T30.8Very low30.7Very low145 Ų145145.2 Ų145.289%0.8981%0.814SS**  -156.1137.1127.21.20000111.1
30E32Very low30.6Very low173 Ų173149.3 Ų149.381%0.80882%0.815SS**  trans-95.4149.1-179-59.1175.3115.100111.9
31R32.3Very low30.8Very low232 Ų232148.2 Ų148.288%0.87581%0.813SS**  trans-174.8102.2137.8-103.1154.9-174.3154.84.4113.8
32E30.5Very low30.7Very low173 Ų173145.4 Ų145.481%0.80881%0.814SS**  44.6122127.9-65.6-164.1115.600123
33V29.3Very low30.6Very low130 Ų130140.6 Ų140.679%0.78881%0.812SS**  93.6131.4125.1169.80000121.5
34A26.8Very low30.7Very low79 Ų79141.6 Ų141.665%0.65382%0.819SS**  trans78108.7154.800000122.7
35L29.8Very low30.8Very low181 Ų181140.2 Ų140.295%0.94882%0.823SS**  47.6107.7123.3-58171.5000119.7
36G26.2Very low30.9Very low80 Ų80138.4 Ų138.483%0.82582%0.821SS**  trans-149.8133.1166.400000112.9
37I32.1Very low30.7Very low163 Ų163145.2 Ų145.284%0.83683%0.83SS**  trans-86.6150.8-171.9-66.7162.8000112.1
38N35.4Very low30.9Very low150 Ų150144.9 Ų144.980%0.80283%0.826SS**  trans-21.9149.4168.4-52.9-41.4000117.3
39P42.1Very low31Very low129 Ų129147.6 Ų147.684%0.83883%0.834SS**  -141.4-174.9106.240.2-28.2000116.5
40F29.5Very low30.8Very low213 Ų213146 Ų14693%0.93482%0.82SS**  trans-82.8-176.2-178.8-117.1-115000113.7
41A32.4Very low30.7Very low86 Ų86147 Ų14771%0.71183%0.825SS**  trans83155.4168.700000116.1
42D32.4Very low30.5Very low155 Ų155141 Ų14183%0.82982%0.818SS**  cis-145.6178.80.7-143.3-38.5000112.2
43G29.7Very low30.4Very low73 Ų73137.4 Ų137.475%0.75381%0.812SS**  trans173.941.4176.100000119.9
44M33Very low30.6Very low182 Ų182140.2 Ų140.290%0.89782%0.817SS**  trans-123131165.2-73.7-168.6-66.900112.4
45G27.9Very low30.6Very low86 Ų86143.2 Ų143.289%0.88782%0.821SS**  trans-84.8145.817800000113.1
46A31.1Very low30.6Very low99 Ų99143 Ų14382%0.81882%0.82SS**  trans-128.5155.7-179.100000112.1
47F25.3Very low30.6Very low220 Ų220144.2 Ų144.297%0.96582%0.816SS**  trans-110.1139168.5-108.4-95.9000110.3
48K28.9Very low30.5Very low177 Ų177142.7 Ų142.777%0.7782%0.82SS**  trans-79.9152.1-175.4-65175.2173.9176.60113
49I32.6Very low30.2Very low173 Ų173138.7 Ų138.789%0.88782%0.815SS**  -136.6145.5118.3-60-170.8000107.7
50N27.6Very low29.7Very low112 Ų112141.4 Ų141.460%0.59982%0.816SS**  trans-89.3157.1-178.3-56.8-15000112.6
51H29.6Very low29.7Very low194 Ų194137.4 Ų137.490%0.89881%0.809SS**  -148.3164.8124.7-115.868.6000112.1
52S27.6Very low29.4Very low106 Ų106137.6 Ų137.674%0.74181%0.811SS**  trans-100157.7-150.8-54.10000116
53S30Very low29.1Very low97 Ų97139.4 Ų139.468%0.67881%0.812SS**  trans-64.8158.416951.60000114.3
54H32.6Very low28.9Very low190 Ų190140 Ų14088%0.8881%0.805SS**  -155.7125.7126.7-115-74.2000112
55D27.5Very low28.7Very low141 Ų141136.6 Ų136.675%0.75480%0.799SS**  trans-78.5159.3167.5-75.5-81.9000111.9
56L29.3Very low28.9Very low176 Ų176141.2 Ų141.292%0.92180%0.797SS**  -172.9156.9120-100.5163.2000111.8
57S26.8Very low28.8Very low107 Ų107140.9 Ų140.975%0.74879%0.794SS**  trans-130.3137.6-18077.40000113.5
58S29.4Very low29.9Very low130 Ų130136.7 Ų136.791%0.90979%0.789SS**  trans162160.4160.944.50000106.2
59G29.3Very low29.8Very low67 Ų67131.7 Ų131.769%0.69179%0.788SS**  cis165.9156-4.400000109.3
60Q30.8Very low29.7Very low186 Ų186133.9 Ų133.987%0.86979%0.786SS**  trans68.4106.3172.1-60-172.7-100119.3
61T28.8Very low29.7Very low129 Ų129132.6 Ų132.679%0.79179%0.792SS**  30.8134.6124.958.30000123
62A27.6Very low29.7Very low90 Ų90128.4 Ų128.474%0.74479%0.791SS**  112.6136.212900000120.5
63F25.3Very low29.7Very low192 Ų192128.5 Ų128.584%0.84280%0.798SS**  trans64.396.2152.5-92.5-107.6000122.4
64S26.7Very low29.8Very low87 Ų87128.2 Ų128.261%0.60880%0.801SS**  67.1122111.4-56.20000122.5
65S28.8Very low29.7Very low110 Ų110127.1 Ų127.177%0.76980%0.801SS**  trans72148151.780.10000116.5
66Q31.1Very low29.7Very low183 Ų183123.6 Ų123.686%0.85580%0.798SS**  cis-141.616220.8-65172-7.900112.6
67A28.4Very low29.7Very low91 Ų91122.4 Ų122.475%0.75279%0.787SS**  trans-100.2176.6158.300000108.5
68P48.2Very low29.8Very low132 Ų132124.3 Ų124.386%0.85778%0.784SS**  cis-135176.88.441.7-24.1000116
69G28.8Very low29.8Very low73 Ų73126.4 Ų126.475%0.75378%0.779SS**  trans-150134.3171.300000111.5
70Y29.2Very low29.7Very low218 Ų218131.5 Ų131.586%0.85578%0.784SS**  trans-92.7166.8-163.144-97.9000115.1
71A28.4Very low30.8Very low86 Ų86126.8 Ų126.871%0.71177%0.77SS**  trans32.5117.4154.400000119.7
72A29.1Very low30.9Very low106 Ų106126.7 Ų126.788%0.87677%0.769SS**  75.4112.459.700000115.7
73A28.8Very low31.1Very low108 Ų108130.5 Ų130.589%0.89377%0.771SS**  trans-158.1160.4160.300000109.9
74A31.6Very low31.3Very low90 Ų90126.8 Ų126.874%0.74476%0.764SS**  trans-134.4-163.6179.600000111.1
75L29.8Very low31.3Very low168 Ų168128 Ų12888%0.8877%0.773SS**  trans78.1143.5-165.2-47.8166.3000111
76G27.1Very low31.3Very low66 Ų66127.7 Ų127.768%0.6877%0.77SS**  cis126.4138.921.100000106.9
77H30.6Very low31.1Very low152 Ų152130.3 Ų130.370%0.70477%0.774SS**  cis-167.116731.5-109.2-105.9000111.7
78H28.9Very low31.1Very low147 Ų147131.8 Ų131.868%0.68178%0.779SS**  trans75.9144.1141.1-80.2-52.7000126.4
79H29.6Very low30.3Very low174 Ų174132.6 Ų132.681%0.80678%0.782SS**  trans93.7146.4148.1-72.3-56.2000123.3
80H27.2Very low30.2Very low173 Ų173133.2 Ų133.280%0.80178%0.779SS**  trans-162.1166.2-160.4177.5-121.2000104.5
81P53.7Low30.2Very low88 Ų88127.7 Ų127.757%0.57178%0.779SS**  cis-126.8-168.6-9.328.1-5000113.8
82T30.1Very low30.2Very low126 Ų126133 Ų13377%0.77379%0.786SS**  trans149.6158.2135.148.80000111.6
83H32.2Very low30.4Very low170 Ų170135.9 Ų135.979%0.78779%0.787SS**  cis-142.6173.71-146.1-87.7000112.8
84V29.8Very low30.5Very low114 Ų114134.2 Ų134.269%0.69177%0.769SS**  trans-75.8143.3-171.4177.90000116.2
85S26.7Very low30.7Very low114 Ų114136.8 Ų136.880%0.79778%0.775SS**  trans-174.9157.4140.2-83.10000111.7
86S28Very low31.3Very low102 Ų102138.9 Ų138.971%0.71377%0.772SS**  cis-172.9134.6-31-92.70000106.2
87Y27.9Very low31.5Very low239 Ų239142 Ų14294%0.93777%0.773SS**  trans-83.8146.3-171.7-77.9-98.3000113.7
88S28.2Very low31.5Very low122 Ų122143.9 Ų143.985%0.85378%0.779SS**  trans-143.8132.4158.9-80.20000111.1
89T29.8Very low31.9Very low149 Ų149143.9 Ų143.991%0.91478%0.784SS**  trans-53129.6-168.242.60000116.1
90A27.6Very low32.4Very low85 Ų85144.4 Ų144.470%0.70278%0.784SS**  trans-96.4132.5168.300000112F92A90-F92 PolarHBondContact O-N 3.04Å
91A29.3Very low32.7Very low102 Ų102147.2 Ų147.284%0.84379%0.787SS**  trans-80.5114.1172.500000110.8N93A91-N93 PolarHBondContact O-N 3.41Å
92F27.8Very low31.5Very low198 Ų198151.1 Ų151.187%0.86880%0.804SS**  trans-69.9122.5-178.2-89.7-94.2000112.5A90A90-F92 PolarHBondContact O-N 3.04Å
93N33.7Very low31.6Very low167 Ų167157.3 Ų157.389%0.89381%0.813SS**  trans-151.760.3171.5-134.5-29.9000112.2A91A91-N93 PolarHBondContact O-N 3.41Å
94S31.1Very low31.5Very low73 Ų73152.3 Ų152.351%0.5181%0.807SS.*  trans-152.5103.9177.1-174.70000112.5R96S94-R96 PolarHBondContact O-N 3.17Å; S94-R96 VanDerWaalsContact O-N 3.1Å; S94-R96 WeakPolarHBondContact OG-CB 3.32Å; S94-R96 WeakPolarHBondContact OG-CG 3.3Å
95T35.9Very low31.5Very low143 Ų143157.4 Ų157.488%0.87782%0.821SS**  trans-82.243.2173.333.60000112.7
96R41.9Very low31.6Very low213 Ų213154.8 Ų154.880%0.80481%0.811SS**  trans-95.5-18.9-170.5-77.7-168.859.6131.21116.7S94S94-R96 PolarHBondContact O-N 3.17Å; S94-R96 VanDerWaalsContact O-N 3.1Å; S94-R96 WeakPolarHBondContact OG-CB 3.32Å; S94-R96 WeakPolarHBondContact OG-CG 3.3Å
97D31.7Very low31.6Very low131 Ų131158 Ų15870%0.70182%0.82SS**SBendtrans-119.92.3-165.5-63.8-78.7000115.1L99D97-L99 VanDerWaalsContact C-N 3.28Å; D97-L99 PolarHBondContact O-N 3.07Å; D97-L99 VanDerWaalsContact O-N 3.17Å
98F29.8Very low31.6Very low192 Ų192150.5 Ų150.584%0.84281%0.808SS**THydrogen-bonded Turntrans-7910.5-173.9-90.7-74.6000116.6
99L38.9Very low31.6Very low147 Ų147150.8 Ų150.877%0.7781%0.805SS**THydrogen-bonded Turntrans-119.31.3-176.2-68.1179.6000115.7D97D97-L99 VanDerWaalsContact C-N 3.28Å; D97-L99 PolarHBondContact O-N 3.07Å; D97-L99 VanDerWaalsContact O-N 3.17Å
100F39.1Very low31.5Very low184 Ų184149.2 Ų149.281%0.80780%0.8SS**SBendtrans-129.634.6-176.8-67.2-69.8000114.7
101R32.6Very low31.6Very low232 Ų232148.9 Ų148.988%0.87580%0.797SS**  trans-136.292.7163.8-90.1-169.5166.3-157.8-4.1111.6
102N28.9Very low31.7Very low171 Ų171152.3 Ų152.391%0.91480%0.796SS**  trans-179.989.8133.2-95.4-6.1000112.2
103R33.5Very low31.8Very low255 Ų255151 Ų15196%0.96279%0.792SS**  trans-157.3120.2130.9-146.3171.5-169.1155.42.9108.9
104G29.7Very low31.6Very low66 Ų66148 Ų14868%0.6878%0.784SS**  trans-126.3137.816600000108.2
105F30.1Very low31.5Very low221 Ų221151.6 Ų151.697%0.96980%0.797SS**  trans-152.2146.6155.2-118.7-83.5000106.4
106G29.3Very low31.2Very low58 Ų58154.2 Ų154.260%0.59880%0.796SS**  trans-103.6-164-168.100000114.6
107D26.6Very low30.5Very low169 Ų169147.5 Ų147.590%0.90479%0.787SS**  trans66.7154.7166.6-51-28.9000117.6
108A28.8Very low30.5Very low83 Ų83146.7 Ų146.769%0.68679%0.791SS**  cis-157.8144.1-3700000109.5
109T27.6Very low30.4Very low127 Ų127142.3 Ų142.378%0.77979%0.79SS**  trans8.3123.1159.452.40000121.6
110S28.4Very low30Very low117 Ų117140.6 Ų140.682%0.81880%0.797SS**  104.4153123.1790000122.6
111A28.1Very low29.4Very low77 Ų77135 Ų13564%0.63679%0.791SS**  trans79.180.6148.100000122.1
112Q33Very low29.3Very low174 Ų174129.3 Ų129.381%0.81379%0.787SS**  71158.2114.7-75.3-176.4-26.600123.9
113H28.9Very low29.2Very low171 Ų171130.6 Ų130.679%0.79279%0.785SS**  trans78.8116.9161.2-80-70.9000121.3
114S30.2Very low29.2Very low103 Ų103123.4 Ų123.472%0.7278%0.78SS**  trans-74.6162.3169.9-21.80000112.7
115L28.9Very low29.1Very low150 Ų150123.8 Ų123.879%0.78578%0.784SS**  171.2140.9119.2-90.3164.8000112.3
116F29.4Very low30.2Very low197 Ų197119 Ų11986%0.86478%0.775SS**  trans57.9170.7163.6-82.6-118.3000118.7
117A27.8Very low30.3Very low73 Ų73126 Ų12660%0.60379%0.792SS**  -172.6153-55.200000109.9
118S30.1Very low30.3Very low114 Ų114121 Ų12180%0.79778%0.78SS**  trans56.4102.7150.7-58.70000122.3
119A28.7Very low30.4Very low99 Ų99126 Ų12682%0.81879%0.789SS**  70.4142.1116.400000123.5
120A29.8Very low30.5Very low111 Ų111123.6 Ų123.692%0.91778%0.778SS**  trans65.2152.5166.700000118
121G27.2Very low30.5Very low66 Ų66125.2 Ų125.268%0.6878%0.777SS**  cis170.2126-13.300000115.7
122S29.8Very low30.7Very low113 Ų113125.6 Ų125.679%0.7978%0.78SS**  trans75.3157.2152.1-52.70000122.1
123F28.5Very low30.7Very low199 Ų199123.9 Ų123.987%0.87378%0.782SS**  trans69.190.7161-70.9-70.8000122.8
124A31.9Very low30.8Very low103 Ų103119.2 Ų119.285%0.85178%0.78SS**  43.5141.9110.300000123.6
125G29.3Very low30.9Very low74 Ų74122 Ų12276%0.76378%0.781SS**  trans128.7120.5142.100000116.8
126P51.4Low31.1Very low121 Ų121121.9 Ų121.979%0.78678%0.78SS**  trans-114.9137.2-18037.9-28000115.8
127H32.8Very low31.2Very low204 Ų204119.9 Ų119.994%0.94478%0.778SS**  trans-149.7154160.2-65.9-83.9000108
128G26.4Very low31.2Very low64 Ų64125.8 Ų125.866%0.6679%0.79SS**  cis144.8109.3-8.700000112.7
129H30.3Very low31.9Very low188 Ų188126.3 Ų126.387%0.8779%0.791SS**  trans64.9166.6172.7-77.5-98.1000118
130S29.4Very low31.9Very low78 Ų78124.6 Ų124.655%0.54578%0.783SS.*  cis-173.5174-39.664.10000108.2
131D28.7Very low31.9Very low150 Ų150127.7 Ų127.780%0.80278%0.784SS**  cis-113.9-115.7-0.8-75.7-88.2000110.6
132A31.9Very low32Very low86 Ų86131.2 Ų131.271%0.71178%0.782SS**  cis-162.5168.1-7.700000106.9
133T33.7Very low32Very low138 Ų138132.4 Ų132.485%0.84778%0.775SS**  cis-160.21580.3-14.70000107.3
134G29.9Very low32.2Very low72 Ų72130.3 Ų130.374%0.74277%0.768SS**  trans173.941.7179.100000122.6
135H33.5Very low31.9Very low162 Ų162130 Ų13075%0.7577%0.765SS**  trans32.4120.4156.2-77.3-87000123.3
136L32.8Very low31.9Very low147 Ų147130.6 Ų130.677%0.7776%0.763SS**  trans71.4141137.3-57173.4000118.1
137L32.4Very low30.8Very low156 Ų156129.7 Ų129.782%0.81776%0.76SS**  cis-150.1165.99-111.4151.4000111.8
138F28Very low30.7Very low196 Ų196128.7 Ų128.786%0.8676%0.755SS**  trans-90.4-174.2178.5-81.5-92.2000113.2
139P44.7Very low30.7Very low125 Ų125130.2 Ų130.281%0.81276%0.761SS**  cis-124.3-171.7-24.221.43.1000111.8
140G28.5Very low30.7Very low64 Ų64127 Ų12766%0.6676%0.76SS**  cis148.6163.2-6.300000113
141L29.6Very low30.8Very low176 Ų176128.1 Ų128.192%0.92177%0.768SS**  trans65.8157.6166.3-57177000118.2
142H29.1Very low30.9Very low139 Ų139128.2 Ų128.264%0.64477%0.769SS**  cis-162.7114.7-26.4167.585.4000109.9
143E29.8Very low30.8Very low139 Ų139129.9 Ų129.965%0.6577%0.769SS**  trans57.7154133.2-121.1-179.7109.300124.9
144Q32Very low30.8Very low154 Ų154128.7 Ų128.772%0.7276%0.762SS**  trans66102.5157.3-54.3-161.521.900123.3
145A26.7Very low30.8Very low96 Ų96132 Ų13279%0.79376%0.762SS**  81.8155.4113.700000123.9
146A28.3Very low30.5Very low88 Ų88129.6 Ų129.673%0.72776%0.764SS**  trans7589.3149.900000122.8
147S28.9Very low30.5Very low101 Ų101131.3 Ų131.371%0.70677%0.768SS**  96.2150108.580.80000123.5
148H31.2Very low30.4Very low183 Ų183133.1 Ų133.185%0.84778%0.775SS**  trans71.9163.2152.9-70.7-60.8000122.9
149A26.4Very low31Very low96 Ų96134.3 Ų134.379%0.79377%0.773SS**  trans78.482.7164.200000120.2
150S29.1Very low30.5Very low121 Ų121137 Ų13785%0.84678%0.78SS**  trans-44.3158.7153.1-34.50000115.9
151S32.1Very low30.6Very low101 Ų101137.2 Ų137.271%0.70678%0.783SS**  -173.1148.6123.3490000114
152N30.4Very low30.7Very low153 Ų153138.1 Ų138.182%0.81878%0.78SS**  trans47.6157.8138.6-60.5-11.1000123
153V30.2Very low30.9Very low120 Ų120137.9 Ų137.973%0.72779%0.788SS**  cis-174.3133.7-41.9118.70000108.2
154V32.6Very low31Very low114 Ų114133.7 Ų133.769%0.69178%0.782SS**  trans69129.2155.8169.20000121.5
155N29.8Very low31.1Very low141 Ų141133.7 Ų133.775%0.75479%0.787SS**  trans41.6133.6152.3-58-8.1000120.7
156S28.9Very low31.4Very low112 Ų112136 Ų13678%0.78378%0.783SS**  -165.7168.665.5-67.50000116.1
157Q31.4Very low31.7Very low182 Ų182142.3 Ų142.385%0.8579%0.79SS**  trans-22.2148.8166.2-57.8169.2-18.400118.9
158M31.4Very low31.8Very low195 Ų195140.8 Ų140.896%0.96179%0.79SS**  -159.7172111-107.8-179.4-167.100113.2
159R39.8Very low31.7Very low220 Ų220143.9 Ų143.983%0.8379%0.794SS**  trans-144.2133-161.6178.9-169.7-176.2-150.64111.5
160L34.2Very low31.8Very low181 Ų181143.1 Ų143.195%0.94879%0.788SS**  trans-143.4147.6171.2-60.5171.5000107.4
161G30.1Very low31.9Very low70 Ų70144.7 Ų144.772%0.72279%0.787SS**  cis-160.7178-5.800000110.2
162F31.8Very low32Very low195 Ų195148.1 Ų148.186%0.85579%0.792SS**  trans-83.4170.8-178.3-70.5-93.7000112
163T32.8Very low32Very low133 Ų133151.5 Ų151.582%0.81680%0.795SS**  cis-135.2172.930.559.70000111.2
164G33.5Very low32Very low52 Ų52150 Ų15054%0.53680%0.795SS.*  cis90.613226.600000110.8
165D34.1Very low32.1Very low153 Ų153153.6 Ų153.682%0.81880%0.804SS**  cis-165.3-177.94.2-100.6-74.3000108.6
166M32.5Very low32.1Very low144 Ų144153 Ų15371%0.70981%0.805SS**  cis-164-1798.9-130-70.8172.400111.2
167Y34.2Very low32.1Very low221 Ų221153.5 Ų153.587%0.86780%0.804SS**  trans68.5142.6171.5-56.3-75.4000119.1
168G30.4Very low32.1Very low69 Ų69149.7 Ų149.771%0.71180%0.797SS**  cis174.3161.9-9.700000116.2
169R29.4Very low32.6Very low248 Ų248146.5 Ų146.594%0.93679%0.791SS**  trans73.6152.6172.9-154.6167.6-173.1116.64.3118.1
170A30Very low32.2Very low80 Ų80146.4 Ų146.466%0.66179%0.79SS**  trans-148.1173.3-174.200000110.5
171D30.5Very low32.2Very low155 Ų155142.9 Ų142.983%0.82978%0.781SS**  trans-142.4162.7159-97.5-52.7000110.8
172Q33.8Very low32.1Very low172 Ų172146.5 Ų146.580%0.80478%0.784SS**  trans-123.1-156.4-166.5-62.9-175.8-20.500112.8
173Y30.2Very low32.1Very low224 Ų224144.9 Ų144.988%0.87878%0.778SS**  trans77.9136.8-177.1-59.9-84.5000115.6
174A29.7Very low32Very low89 Ų89149.3 Ų149.374%0.73678%0.782SS**  cis-153.6166.5-11.900000110.8
175H36.6Very low31.9Very low190 Ų190150.4 Ų150.488%0.8879%0.786SS**  trans-130.2105.8-172.5-160.7-53.8000110.7
176V29.4Very low31.6Very low128 Ų128148.8 Ų148.878%0.77679%0.786SS**  trans-138.7116.9-176.8-177.30000112.9
177T28.3Very low31.6Very low123 Ų123147.8 Ų147.876%0.75579%0.794SS**  trans11.6136.5160.159.90000123.1
178S32.6Very low31.6Very low102 Ų102145 Ų14571%0.71379%0.788SS**  trans-75.8161.1151.9142.90000111.7
179P41.9Very low31.6Very low127 Ų127150.1 Ų150.183%0.82580%0.799SS**  trans-118.2178.7135.736.4-32.2000112.8
180R30.9Very low31.9Very low219 Ų219146.7 Ų146.783%0.82679%0.793SS**  trans-147.1131.9-159.5168.8-169.7-1761530.7110.7
181S32.9Very low32Very low106 Ų106145.8 Ų145.874%0.74179%0.792SS**  trans169.2152.416247.30000109.3
182D27.8Very low32.1Very low147 Ų147149.7 Ų149.779%0.78680%0.796SS**  cis-150.5175.9-18.8-118.7-48.3000112.8
183H33.6Very low32Very low160 Ų160144.4 Ų144.474%0.74179%0.788SS**  trans-84.4153.6-171.8-64.5-98.9000115.5
184Y30.1Very low32.3Very low227 Ų227140.1 Ų140.189%0.8979%0.788SS**  trans-142.7150.9144.3-147.7-97000111.9
185A31.3Very low32.6Very low75 Ų75144.4 Ų144.462%0.6279%0.794SS**  trans-71143.7-177.200000111.5
186S28.6Very low32.6Very low118 Ų118142.1 Ų142.183%0.82579%0.789SS**  64.99953.1-69.20000114.4
187S31.1Very low33.2Very low124 Ų124144.9 Ų144.987%0.86780%0.795SS**  trans-122.1109.3157.646.10000108.9
188Q34.4Very low33.5Very low161 Ų161144.8 Ų144.875%0.75279%0.79SS**  trans-87.9139.9178-71.3174-49.300110.7
189L31.7Very low33.8Very low178 Ų178148.8 Ų148.893%0.93280%0.8SS**  trans-122.1132.8149.4-82.3171.7000108
190H34.9Very low33.7Very low175 Ų175147.6 Ų147.681%0.8180%0.801SS**  trans-77.7161.1-171.5-69.2-120.8000111.6
191G32.9Very low34Very low62 Ų62140.8 Ų140.864%0.63979%0.791SS**  trans-177.2-48.5167.500000117.6
192Y31.1Very low34Very low237 Ų237144 Ų14493%0.92979%0.794SS**  trans-138.1135.8-169.8-67.8-80000112.9
193G32.5Very low34.7Very low60 Ų60144.9 Ų144.962%0.61979%0.793SS**  trans-75.1163.8179.100000113.6M195G193-M195 PolarHBondContact O-N 3.32Å
194P35.3Very low34.7Very low135 Ų135140 Ų14088%0.87779%0.786SS**  trans-70.2102.3-177.328.9-34.5000111.4N196P194-N196 PolarHBondContact O-N 2.9Å
195M37.5Very low35.3Very low178 Ų178133.3 Ų133.388%0.87778%0.778SS**  trans-65.9127.1169.4-74-66.8-177.300110.1G193 M197G193-M195 PolarHBondContact O-N 3.32Å; M195-M197 PolarHBondContact O-N 2.99Å
196N35.8Very low35.7Very low142 Ų142131.9 Ų131.976%0.75977%0.771SS**  trans-61.4105.8-172-177.44.7000112.5P194 N198P194-N196 PolarHBondContact O-N 2.9Å; N196-N198 PolarHBondContact O-N 2.77Å; N196-N198 WeakPolarHBondContact OD1-CB 3.44Å
197M41.2Very low36.4Very low186 Ų186127.8 Ų127.892%0.91674%0.744SS**  trans-75.763.2175.5-85.6-72.2-17700112M195M195-M197 PolarHBondContact O-N 2.99Å
198N36.6Very low37Very low122 Ų122128.3 Ų128.365%0.65273%0.731SS**  trans-140.850.8178.9-154.41.4000114.3N196N196-N198 PolarHBondContact O-N 2.77Å; N196-N198 WeakPolarHBondContact OD1-CB 3.44Å
199M38.4Very low37.4Very low186 Ų186127.4 Ų127.492%0.91672%0.724SS**  trans-128.121.9163.6-80.2-167.3168.200113A201M199-A201 PolarHBondContact O-N 3.17Å
200A39.3Very low37.9Very low102 Ų102128.7 Ų128.784%0.84372%0.717SS**  trans-94.350.2-178.200000113.2
201A36.3Very low38Very low76 Ų76129.7 Ų129.763%0.62872%0.715SS**SBendtrans-137.7-28.6-174.100000117.4M199M199-A201 PolarHBondContact O-N 3.17Å
202H34.5Very low38.5Very low172 Ų172131.9 Ų131.980%0.79671%0.71SS**SBendtrans-126.121.2-164.7-73.4-58.8000117
203H41.3Very low39Very low167 Ų167131 Ų13177%0.77371%0.705SS**  trans-115.359.4174.1-67.2-32.4000113.3A207H203-A207 HydrophobicContact CB-CB 4.15Å
204G33.8Very low39.2Very low57 Ų57135 Ų13559%0.58871%0.708SS**  trans-61.5167.7159.400000112.2G206 A207G204-G206 PolarHBondContact O-N 3.09Å; G204-A207 PolarHBondContact O-N 2.69Å
205A42.7Very low39.5Very low87 Ų87133.8 Ų133.872%0.71970%0.7SS**THydrogen-bonded Turntrans-53.5-21.5-166.600000116.3A207 F209A205-A207 VanDerWaalsContact C-N 3.25Å; A205-A207 PolarHBondContact O-N 2.85Å; A205-F209 WeakPolarHBondContact O-CD2 3.42Å
206G39.4Very low40Very low45 Ų45133 Ų13346%0.46470%0.697SS.*Hα-helixtrans-63.3-21.6173.500000115.2G204 F208 F209 R210G204-G206 PolarHBondContact O-N 3.09Å; G206-F208 VanDerWaalsContact C-N 3.32Å; G206-F208 PolarHBondContact O-N 3Å; G206-F209 PolarHBondContact O-N 3.22Å; G206-R210 PolarHBondContact O-N 3.43Å
207A42.8Very low40.6Very low32 Ų32134.8 Ų134.826%0.26470%0.698SS.*Hα-helixtrans-62.5-37.8-179.900000112.6H203 G204 A205 F209 R210H203-A207 HydrophobicContact CB-CB 4.15Å; G204-A207 PolarHBondContact O-N 2.69Å; A205-A207 VanDerWaalsContact C-N 3.25Å; A205-A207 PolarHBondContact O-N 2.85Å; A207-F209 VanDerWaalsContact C-N 3.28Å; A207-F209 PolarHBondContact O-N 3.42Å; A207-R210 PolarHBondContact O-N 3.2Å
208F43.8Very low41.4Very low134 Ų134130.9 Ų130.959%0.58868%0.678SS**Hα-helixtrans-61-36.9176.8-167.2-95.7000112G206 M212G206-F208 VanDerWaalsContact C-N 3.32Å; G206-F208 PolarHBondContact O-N 3Å; F208-M212 HydrophobicContact CD1-CG 4.46Å; F208-M212 HydrophobicContact CE1-CG 4.43Å; F208-M212 WeakPolarHBondContact O-CG 3.21Å; F208-M212 PolarHBondContact O-N 3.36Å
209F43Very low43.1Very low142 Ų142131.4 Ų131.462%0.62368%0.676SS**Hα-helixtrans-76.1-20.1179.1-66.6-81.9000114A205 G206 A207 M212A205-F209 WeakPolarHBondContact O-CD2 3.42Å; G206-F209 PolarHBondContact O-N 3.22Å; A207-F209 VanDerWaalsContact C-N 3.28Å; A207-F209 PolarHBondContact O-N 3.42Å; F209-M212 PolarHBondContact O-N 3.36Å
210R41.9Very low44.9Very low206 Ų206123.1 Ų123.178%0.77764%0.636SS**Hα-helixtrans-70.9-39.3175.2-68.9-176.8-179.9173.60.1111.8G206 A207 M212 R213G206-R210 PolarHBondContact O-N 3.43Å; A207-R210 PolarHBondContact O-N 3.2Å; R210-M212 VanDerWaalsContact C-N 3.33Å; R210-R213 PolarHBondContact O-N 2.59Å; R210-R213 VanDerWaalsContact O-N 3.17Å
211Y38.3Very low46.7Very low195 Ų195121.8 Ų121.877%0.76561%0.614SS**Hα-helixtrans-70.7-27.2172.6-90.3-81.9000113.3R213Y211-R213 PolarHBondContact O-N 3.19Å
212M43.8Very low48.7Very low109 Ų109118.1 Ų118.154%0.53758%0.584SS.*THydrogen-bonded Turntrans-72.11.8169.9-65.4-73.8-67.900113.7F208 F209 R210F208-M212 HydrophobicContact CD1-CG 4.46Å; F208-M212 HydrophobicContact CE1-CG 4.43Å; F208-M212 WeakPolarHBondContact O-CG 3.21Å; F208-M212 PolarHBondContact O-N 3.36Å; F209-M212 PolarHBondContact O-N 3.36Å; R210-M212 VanDerWaalsContact C-N 3.33Å
213R40.5Very low50.7Low218 Ų218113.3 Ų113.382%0.82356%0.56SS**THydrogen-bonded Turntrans-118.614.1-174.2-120.6-172.2-161.8-133.46.9114.9R210 Y211 P215R210-R213 PolarHBondContact O-N 2.59Å; R210-R213 VanDerWaalsContact O-N 3.17Å; Y211-R213 PolarHBondContact O-N 3.19Å; R213-P215 VanDerWaalsContact O-CD 3.3Å; R213-P215 WeakPolarHBondContact O-CD 3.31Å
214Q36.3Very low52.3Low144 Ų144105.6 Ų105.667%0.67352%0.524SS*.  trans-86.8110.8166.9-73.2-172.9-20.800109.6I216Q214-I216 PolarHBondContact O-N 3.2Å
215P42.4Very low54.2Low110 Ų110104.8 Ų104.871%0.71451%0.508SS*.  trans-78.687.7178.433-34.3000110.1R213 K217R213-P215 VanDerWaalsContact O-CD 3.3Å; R213-P215 WeakPolarHBondContact O-CD 3.31Å; P215-K217 VanDerWaalsContact C-N 3.34Å; P215-K217 PolarHBondContact O-N 3.39Å; P215-K217 VanDerWaalsContact O-N 3.09Å
216I47.3Very low55.2Low160 Ų160103.8 Ų103.882%0.82149%0.488SS*.  trans-60.3109.2144.5-59.9177000104.6Q214 Q218Q214-I216 PolarHBondContact O-N 3.2Å; I216-Q218 PolarHBondContact O-N 2.97Å
217K48.7Very low56.1Low180 Ų180105.1 Ų105.178%0.78349%0.489SS*.  trans-72.564.1-178.1-65.5-173.9-179.6-176.80111P215 E219P215-K217 VanDerWaalsContact C-N 3.34Å; P215-K217 PolarHBondContact O-N 3.39Å; P215-K217 VanDerWaalsContact O-N 3.09Å; K217-E219 PolarHBondContact O-N 3.32Å; K217-E219 VanDerWaalsContact O-N 3.17Å
218Q59Low56.8Low104 Ų104111.5 Ų111.549%0.48651%0.513SS..  trans-76.297.4164.9-171.3-174.3-6.100107.2I216 L220 T292I216-Q218 PolarHBondContact O-N 2.97Å; Q218-L220 PolarHBondContact O-N 3.16Å; Q218-L220 VanDerWaalsContact O-N 3.16Å; Q218-T292 PolarHBondContact NE2-O 3.33Å
219E70.6Confident57.1Low134 Ų134107 Ų10763%0.62649%0.494SS*.  trans-64.8115.3179.2-63.4-175.617200109.7K217 I221K217-E219 PolarHBondContact O-N 3.32Å; K217-E219 VanDerWaalsContact O-N 3.17Å; E219-I221 PolarHBondContact O-N 2.85Å; E219-I221 VanDerWaalsContact O-N 3.14Å
220L76.4Confident57.6Low11 Ų11107.8 Ų107.86%0.05850%0.504CS..EExtended strand (participates in β ladder)trans-86.987.5-176.3-66.2173.5000108.8Q218 C222 F241 T243 M244 L247 T292Q218-L220 PolarHBondContact O-N 3.16Å; Q218-L220 VanDerWaalsContact O-N 3.16Å; L220-C222 PolarHBondContact O-N 3.14Å; L220-F241 HydrophobicContact CB-CB 4.24Å; L220-F241 WeakPolarHBondContact CB-O 3.49Å; L220-F241 PolarHBondContact N-O 2.96Å; L220-F241 PolarHBondContact O-N 3.06Å; L220-T243 VanDerWaalsContact CD1-C 3.43Å; L220-M244 HydrophobicContact CD1-CB 4.13Å; L220-M244 HydrophobicContact CD1-CE 4.01Å; L220-M244 VanDerWaalsContact CD1-N 3.28Å; L220-M244 HydrophobicContact CD2-CE 4.13Å; L220-L247 HydrophobicContact CB-CD2 4.18Å; L220-T292 HydrophobicContact CD2-CG2 4.14Å
221I77.3Confident58.1Low74 Ų74103.5 Ų103.538%0.37951%0.506SS..EExtended strand (participates in β ladder)trans-74.2119.6179.1-40.5-173.6000109.2E219 K223 T240 W268E219-I221 PolarHBondContact O-N 2.85Å; E219-I221 VanDerWaalsContact O-N 3.14Å; I221-K223 HydrophobicContact CG2-CG 4.44Å; I221-T240 HydrophobicContact CG1-CG2 4.25Å; I221-T240 HydrophobicContact CG2-CG2 4.43Å; I221-W268 WeakPolarHBondContact O-CH2 3.49Å; I221-W268 WeakPolarHBondContact O-CZ2 3.41Å
222C79.8Confident58.7Low0 Ų097.7 Ų97.70%049%0.488CS..  trans-69.3135.2162.4-167.50000108.6L220 C237 N238 K239 F241 L247 H250L220-C222 PolarHBondContact O-N 3.14Å; C222-C237 CarbonylContact C-O 3.16Å; C222-N238 WeakPolarHBondContact O-CA 3.25Å; C222-K239 WeakPolarHBondContact CB-O 3.34Å; C222-K239 PolarHBondContact N-O 3.17Å; C222-F241 HydrophobicContact CB-CE2 4.07Å; C222-L247 HydrophobicContact CB-CD1 3.69Å; C222-H250 PolarHBondContact SG-NE2 3.49Å; C222-H250 VanDerWaalsContact SG-NE2 3.41Å
223K76.1Confident58.9Low70 Ų7098 Ų9830%0.30450%0.498SS..  trans-130.560.8175-81.4170.4149.1-90.30109.1I221 C237 W268 E269I221-K223 HydrophobicContact CG2-CG 4.44Å; K223-C237 WeakPolarHBondContact CA-O 3.32Å; K223-W268 HydrophobicContact CB-CD2 4.22Å; K223-W268 HydrophobicContact CB-CZ2 3.96Å; K223-W268 WeakPolarHBondContact O-CA 3.42Å; K223-E269 HydrophobicContact CB-CG 4.26Å; K223-E269 WeakPolarHBondContact CD-OE2 3.28Å; K223-E269 WeakPolarHBondContact CG-OE2 3.32Å; K223-E269 IonicContact NZ-OE2 3.21Å; K223-E269 PolarHBondContact NZ-OE2 2.95Å; K223-E269 PolarHBondContact O-N 2.82Å
224W73.9Confident59.4Low6 Ų696.2 Ų96.22%0.02350%0.496CS..EExtended strand (participates in β ladder)trans-103.9134.5-172.4-174.4-80000112.1A236 C237 L251 H255 V256 I265 C266 F267W224-A236 CarbonylContact O-C 3.6Å; W224-A236 WeakPolarHBondContact O-CA 3.46Å; W224-C237 HydrophobicContact CB-CB 4.36Å; W224-C237 PolarHBondContact N-O 3.38Å; W224-C237 PolarHBondContact O-N 3.29Å; W224-L251 HydrophobicContact CB-CD1 4.11Å; W224-L251 HydrophobicContact CD2-CD1 3.72Å; W224-L251 HydrophobicContact CE3-CD1 3.36Å; W224-L251 HydrophobicContact CE3-CD2 4.13Å; W224-L251 HydrophobicContact CE3-CG 4.13Å; W224-L251 HydrophobicContact CG-CD1 4.07Å; W224-L251 HydrophobicContact CH2-CD2 4.49Å; W224-L251 HydrophobicContact CZ3-CD1 3.83Å; W224-L251 HydrophobicContact CZ3-CD2 3.79Å; W224-L251 HydrophobicContact CZ3-CG 4.09Å; W224-H255 AromaticContact CD1-CD2 3.89Å; W224-H255 AromaticContact CD1-CG 3.52Å; W224-H255 AromaticContact CD1-ND1 3.61Å; W224-H255 HydrophobicContact CD2-CB 4.03Å; W224-H255 HydrophobicContact CG-CB 4.13Å; W224-H255 AromaticContact CG-CD2 3.85Å; W224-H255 AromaticContact CG-CG 3.85Å; W224-H255 HydrophobicContact CZ2-CB 3.92Å; W224-H255 AromaticContact NE1-CG 3.76Å; W224-H255 AromaticContact NE1-ND1 3.96Å; W224-V256 HydrophobicContact CH2-CG2 4.29Å; W224-I265 VanDerWaalsContact CH2-O 3.28Å; W224-I265 WeakPolarHBondContact CH2-O 3.46Å; W224-C266 HydrophobicContact CZ3-CB 4.41Å; W224-F267 CarbonylContact C-O 3.49Å; W224-F267 WeakPolarHBondContact CA-O 3.41Å; W224-F267 HydrophobicContact CD2-CB 4.3Å; W224-F267 HydrophobicContact CH2-CD2 4.41Å; W224-F267 HydrophobicContact CZ2-CB 4.34Å; W224-F267 AromaticContact CZ2-CD2 3.71Å; W224-F267 HydrophobicContact CZ2-CD2 3.71Å
225V73.4Confident60.3Low39 Ų3994 Ų9424%0.23648%0.484CS..EExtended strand (participates in β ladder)trans-106.8132.8-178.1-173.90000110.5F267 E269V225-F267 PolarHBondContact N-O 3.45Å; V225-F267 VanDerWaalsContact O-CB 3.28Å; V225-F267 WeakPolarHBondContact O-CB 3.39Å; V225-E269 HydrophobicContact CG2-CG 3.8Å
226E64.5Low61.5Low66 Ų6690.3 Ų90.331%0.30846%0.463SS..  trans-80126.5177.4-70-176.8172.200112.3E228 Q229 K235E226-E228 VanDerWaalsContact C-N 3.31Å; E226-E228 PolarHBondContact O-N 2.9Å; E226-Q229 HydrophobicContact CB-CG 4.24Å; E226-Q229 PolarHBondContact O-N 3.45Å; E226-Q229 VanDerWaalsContact O-N 3.1Å; E226-K235 PolarHBondContact N-O 3.49Å; E226-K235 WeakPolarHBondContact OE2-CD 3.45Å; E226-K235 IonicContact OE2-NZ 2.68Å
227P59.4Low62.8Low73 Ų7383.5 Ų83.547%0.47443%0.429SS..G310 helixtrans-60-33.8-175.2-28.537000115.2Q229 F267P227-Q229 PolarHBondContact O-N 3.17Å; P227-F267 HydrophobicContact CB-CZ 4.37Å; P227-F267 HydrophobicContact CG-CD1 4.29Å; P227-F267 HydrophobicContact CG-CD2 3.69Å; P227-F267 HydrophobicContact CG-CE1 3.99Å; P227-F267 HydrophobicContact CG-CE2 3.35Å; P227-F267 HydrophobicContact CG-CG 4.15Å; P227-F267 HydrophobicContact CG-CZ 3.5Å; P227-F267 VanDerWaalsContact CG-CZ 3.5Å
228E57.3Low64.1Low167 Ų16779.3 Ų79.378%0.7842%0.415SS*.G310 helixtrans-69.3-0.4178.9-63.6-16914400113.8E226E226-E228 VanDerWaalsContact C-N 3.31Å; E226-E228 PolarHBondContact O-N 2.9Å
229Q48.9Very low65.1Low40 Ų4079 Ų7919%0.18741%0.413CS..G310 helixtrans-119.916.8-174.6-56.4-66.4-75.200113E226 P227 S231 N232 K235E226-Q229 HydrophobicContact CB-CG 4.24Å; E226-Q229 PolarHBondContact O-N 3.45Å; E226-Q229 VanDerWaalsContact O-N 3.1Å; P227-Q229 PolarHBondContact O-N 3.17Å; Q229-S231 PolarHBondContact O-N 3.23Å; Q229-N232 CarbonylContact O-C 3.56Å; Q229-N232 PolarHBondContact O-N 3.19Å; Q229-N232 VanDerWaalsContact O-O 3.05Å; Q229-K235 HydrophobicContact CB-CB 4.47Å; Q229-K235 HydrophobicContact CG-CB 4Å; Q229-K235 HydrophobicContact CG-CD 3.72Å; Q229-K235 HydrophobicContact CG-CG 3.94Å
230L53.1Low65.4Low157 Ų15776.7 Ų76.782%0.82241%0.408SS*.THydrogen-bonded Turntrans-64.1-10.2178.1-139.573.5000114
231S52.8Low65.6Low117 Ų11777.9 Ų77.982%0.81841%0.412SS*.THydrogen-bonded Turntrans-92.5-11.4170.356.10000114.6Q229Q229-S231 PolarHBondContact O-N 3.23Å
232N50.4Low65.4Low73 Ų7379 Ų7939%0.3943%0.427SS..SBendtrans-154.493.5-178.5-177.111.2000109.8Q229 K234Q229-N232 CarbonylContact O-C 3.56Å; Q229-N232 PolarHBondContact O-N 3.19Å; Q229-N232 VanDerWaalsContact O-O 3.05Å; N232-K234 PolarHBondContact O-N 2.66Å; N232-K234 WeakPolarHBondContact OD1-CG 3.34Å
233P49.6Very low65.2Low115 Ų11581.8 Ų81.875%0.74744%0.444SS*.  trans-75.637.5-163.132-38.4000115.1
234K49.5Very low65Low181 Ų18179.1 Ų79.179%0.78743%0.433SS*.  trans-98.90.5-173.6-66.1-175.2-179.4-177.40114.8N232N232-K234 PolarHBondContact O-N 2.66Å; N232-K234 WeakPolarHBondContact OD1-CG 3.34Å
235K56.5Low65Low98 Ų9884.7 Ų84.743%0.42646%0.459SS..  trans-113.266.6171.7-55.1-166-160.3155.50111.6E226 Q229E226-K235 PolarHBondContact N-O 3.49Å; E226-K235 WeakPolarHBondContact OE2-CD 3.45Å; E226-K235 IonicContact OE2-NZ 2.68Å; Q229-K235 HydrophobicContact CB-CB 4.47Å; Q229-K235 HydrophobicContact CG-CB 4Å; Q229-K235 HydrophobicContact CG-CD 3.72Å; Q229-K235 HydrophobicContact CG-CG 3.94Å
236A67.4Low65.3Low32 Ų3285.9 Ų85.926%0.26446%0.462SS..EExtended strand (participates in β ladder)trans-94.5122.416200000108.7W224 N238W224-A236 CarbonylContact O-C 3.6Å; W224-A236 WeakPolarHBondContact O-CA 3.46Å; A236-N238 PolarHBondContact O-N 3.3Å; A236-N238 PolarHBondContact O-ND2 3.34Å
237C75Confident66Low17 Ų1782.8 Ų82.812%0.11545%0.447CS..EExtended strand (participates in β ladder)trans-69.8123.3169.1-176.70000109.1C222 K223 W224 H250 H255C222-C237 CarbonylContact C-O 3.16Å; K223-C237 WeakPolarHBondContact CA-O 3.32Å; W224-C237 HydrophobicContact CB-CB 4.36Å; W224-C237 PolarHBondContact N-O 3.38Å; W224-C237 PolarHBondContact O-N 3.29Å; C237-H250 PolarHBondContact SG-CE1 3.02Å; C237-H250 PolarHBondContact SG-NE2 3.12Å; C237-H255 WeakPolarHBondContact CB-NE2 3.43Å; C237-H255 PolarHBondContact SG-NE2 2.91Å; C237-H255 VanDerWaalsContact SG-NE2 3.37Å
238N75.9Confident66.7Low92 Ų9280.4 Ų80.449%0.49243%0.431SS..  trans-120.724.8-179.8-77.6-87.6000111.8C222 A236 T240C222-N238 WeakPolarHBondContact O-CA 3.25Å; A236-N238 PolarHBondContact O-N 3.3Å; A236-N238 PolarHBondContact O-ND2 3.34Å; N238-T240 PolarHBondContact O-N 3.42Å
239K78.9Confident67.6Low98 Ų9875.2 Ų75.243%0.42641%0.411SS..  trans-66.5130.2-179.3-66.2179.1-170.9-177.60110.3C222 F241 E254C222-K239 WeakPolarHBondContact CB-O 3.34Å; C222-K239 PolarHBondContact N-O 3.17Å; K239-F241 HydrophobicContact CB-CE1 4.47Å; K239-F241 HydrophobicContact CB-CE2 3.57Å; K239-F241 HydrophobicContact CB-CZ 3.49Å; K239-F241 VanDerWaalsContact CB-CZ 3.49Å; K239-F241 HydrophobicContact CD-CZ 4.18Å; K239-F241 HydrophobicContact CG-CZ 4.46Å; K239-F241 WeakPolarHBondContact O-CD2 3.46Å; K239-F241 VanDerWaalsContact O-CE2 3.25Å; K239-F241 WeakPolarHBondContact O-CE2 3.15Å; K239-E254 IonicContact NZ-OE1 3.49Å; K239-E254 PolarHBondContact NZ-OE1 2.97Å; K239-E254 IonicContact NZ-OE2 2.66Å; K239-E254 PolarHBondContact NZ-OE2 2.84Å
240T78.3Confident69.1Low85 Ų8574 Ų7452%0.52141%0.405SS..EExtended strand (participates in β ladder)trans-93.6141.2176.555.60000111.3I221 N238I221-T240 HydrophobicContact CG1-CG2 4.25Å; I221-T240 HydrophobicContact CG2-CG2 4.43Å; N238-T240 PolarHBondContact O-N 3.42Å
241F79.1Confident70.2Confident35 Ų3566.5 Ų66.515%0.15437%0.366CS..EExtended strand (participates in β ladder)trans-129.3149.6-178.1-61.6-74.4000112.7L220 C222 K239 E246 L247 H250L220-F241 HydrophobicContact CB-CB 4.24Å; L220-F241 WeakPolarHBondContact CB-O 3.49Å; L220-F241 PolarHBondContact N-O 2.96Å; L220-F241 PolarHBondContact O-N 3.06Å; C222-F241 HydrophobicContact CB-CE2 4.07Å; K239-F241 HydrophobicContact CB-CE1 4.47Å; K239-F241 HydrophobicContact CB-CE2 3.57Å; K239-F241 HydrophobicContact CB-CZ 3.49Å; K239-F241 VanDerWaalsContact CB-CZ 3.49Å; K239-F241 HydrophobicContact CD-CZ 4.18Å; K239-F241 HydrophobicContact CG-CZ 4.46Å; K239-F241 WeakPolarHBondContact O-CD2 3.46Å; K239-F241 VanDerWaalsContact O-CE2 3.25Å; K239-F241 WeakPolarHBondContact O-CE2 3.15Å; F241-E246 HydrophobicContact CB-CB 4Å; F241-E246 HydrophobicContact CD1-CB 3.6Å; F241-E246 HydrophobicContact CE1-CB 4.47Å; F241-E246 HydrophobicContact CG-CB 4.09Å; F241-L247 HydrophobicContact CB-CB 4.09Å; F241-L247 HydrophobicContact CD2-CB 3.87Å; F241-L247 HydrophobicContact CD2-CD1 3.68Å; F241-L247 HydrophobicContact CD2-CG 4.37Å; F241-L247 HydrophobicContact CE2-CD1 3.95Å; F241-L247 HydrophobicContact CG-CB 4.1Å; F241-H250 HydrophobicContact CE1-CB 3.87Å; F241-H250 HydrophobicContact CE2-CB 4.11Å; F241-H250 AromaticContact CE2-CD2 3.28Å; F241-H250 WeakPolarHBondContact CE2-CD2 3.47Å; F241-H250 AromaticContact CE2-CG 3.79Å; F241-H250 HydrophobicContact CZ-CB 3.44Å; F241-H250 VanDerWaalsContact CZ-CB 3.44Å; F241-H250 AromaticContact CZ-CD2 3.32Å; F241-H250 WeakPolarHBondContact CZ-CD2 3.13Å; F241-H250 AromaticContact CZ-CG 3.3Å
242S72.9Confident71.1Confident99 Ų9961.2 Ų61.269%0.69233%0.329SS*.SBendtrans-90.9-24.8-178.876.40000112.7E246S242-E246 WeakPolarHBondContact CA-OE2 3.48Å; S242-E246 WeakPolarHBondContact CB-OE2 3.43Å; S242-E246 PolarHBondContact N-OE2 2.83Å; S242-E246 PolarHBondContact OG-OE1 3.38Å; S242-E246 PolarHBondContact OG-OE2 3.28Å
243T76.1Confident72.2Confident58 Ų5862.5 Ų62.536%0.35634%0.339SS..SBendtrans-130.7153.9173.576.10000112.8L220 H245 E246 L247L220-T243 VanDerWaalsContact CD1-C 3.43Å; T243-H245 PolarHBondContact O-N 2.83Å; T243-H245 PolarHBondContact OG1-N 3.45Å; T243-E246 VanDerWaalsContact CB-OE1 3.31Å; T243-E246 WeakPolarHBondContact CB-OE1 3.18Å; T243-E246 WeakPolarHBondContact CG2-OE1 3.37Å; T243-E246 PolarHBondContact N-OE2 3.47Å; T243-E246 PolarHBondContact O-N 3.36Å; T243-E246 VanDerWaalsContact O-N 3.17Å; T243-E246 PolarHBondContact OG1-N 3.09Å; T243-E246 PolarHBondContact OG1-OE1 3.2Å; T243-L247 PolarHBondContact O-N 3.37Å
244M72.7Confident73.2Confident13 Ų1362.1 Ų62.16%0.06433%0.327CS..Hα-helixtrans-62.3-23.1172.2-178.157.258.400112.3L220 L247 V248 T292 E294L220-M244 HydrophobicContact CD1-CB 4.13Å; L220-M244 HydrophobicContact CD1-CE 4.01Å; L220-M244 VanDerWaalsContact CD1-N 3.28Å; L220-M244 HydrophobicContact CD2-CE 4.13Å; M244-L247 HydrophobicContact CE-CD2 4.2Å; M244-L247 HydrophobicContact SD-CD2 4.19Å; M244-V248 HydrophobicContact CG-CG2 4.18Å; M244-V248 VanDerWaalsContact O-CB 3.24Å; M244-V248 WeakPolarHBondContact O-CB 3.35Å; M244-V248 WeakPolarHBondContact O-CG2 3.47Å; M244-V248 PolarHBondContact O-N 3.28Å; M244-V248 VanDerWaalsContact O-N 3.07Å; M244-V248 HydrophobicContact SD-CG2 3.73Å; M244-T292 HydrophobicContact CE-CG2 4.17Å; M244-T292 WeakPolarHBondContact CE-OG1 3.49Å; M244-E294 WeakPolarHBondContact CB-OE1 3.31Å; M244-E294 HydrophobicContact CE-CB 3.71Å; M244-E294 HydrophobicContact CE-CG 4.01Å; M244-E294 WeakPolarHBondContact CG-OE2 3.06Å
245H73.7Confident74.2Confident124 Ų12455 Ų5557%0.57430%0.297SS*.Hα-helixtrans-66.3-47.6173.7-173.873.6000110.7T243 V248 T249T243-H245 PolarHBondContact O-N 2.83Å; T243-H245 PolarHBondContact OG1-N 3.45Å; H245-V248 PolarHBondContact O-N 3.28Å; H245-T249 WeakPolarHBondContact O-CG2 3.21Å; H245-T249 PolarHBondContact O-N 2.81Å; H245-T249 PolarHBondContact O-OG1 2.72Å; H245-T249 VanDerWaalsContact O-OG1 3.12Å
246E78.9Confident74.8Confident64 Ų6450.6 Ų50.630%0.29928%0.278SS..Hα-helixtrans-60.4-48.2176.4-68.4134.3-128.900112.6F241 S242 T243 V248 T249 H250F241-E246 HydrophobicContact CB-CB 4Å; F241-E246 HydrophobicContact CD1-CB 3.6Å; F241-E246 HydrophobicContact CE1-CB 4.47Å; F241-E246 HydrophobicContact CG-CB 4.09Å; S242-E246 WeakPolarHBondContact CA-OE2 3.48Å; S242-E246 WeakPolarHBondContact CB-OE2 3.43Å; S242-E246 PolarHBondContact N-OE2 2.83Å; S242-E246 PolarHBondContact OG-OE1 3.38Å; S242-E246 PolarHBondContact OG-OE2 3.28Å; T243-E246 VanDerWaalsContact CB-OE1 3.31Å; T243-E246 WeakPolarHBondContact CB-OE1 3.18Å; T243-E246 WeakPolarHBondContact CG2-OE1 3.37Å; T243-E246 PolarHBondContact N-OE2 3.47Å; T243-E246 PolarHBondContact O-N 3.36Å; T243-E246 VanDerWaalsContact O-N 3.17Å; T243-E246 PolarHBondContact OG1-N 3.09Å; T243-E246 PolarHBondContact OG1-OE1 3.2Å; E246-V248 VanDerWaalsContact C-N 3.28Å; E246-V248 PolarHBondContact O-N 2.58Å; E246-T249 WeakPolarHBondContact CA-OG1 3.18Å; E246-T249 PolarHBondContact O-N 2.88Å; E246-T249 PolarHBondContact O-OG1 3.3Å; E246-H250 WeakPolarHBondContact O-CB 3.09Å; E246-H250 PolarHBondContact O-N 3.21Å
247L79.9Confident74.5Confident1 Ų151.2 Ų51.21%0.00529%0.288CS..Hα-helixtrans-58.9-41.6177.5173.862.9000111.3L220 C222 F241 T243 M244 L251 I288 T292L220-L247 HydrophobicContact CB-CD2 4.18Å; C222-L247 HydrophobicContact CB-CD1 3.69Å; F241-L247 HydrophobicContact CB-CB 4.09Å; F241-L247 HydrophobicContact CD2-CB 3.87Å; F241-L247 HydrophobicContact CD2-CD1 3.68Å; F241-L247 HydrophobicContact CD2-CG 4.37Å; F241-L247 HydrophobicContact CE2-CD1 3.95Å; F241-L247 HydrophobicContact CG-CB 4.1Å; T243-L247 PolarHBondContact O-N 3.37Å; M244-L247 HydrophobicContact CE-CD2 4.2Å; M244-L247 HydrophobicContact SD-CD2 4.19Å; L247-L251 VanDerWaalsContact O-CB 3.27Å; L247-L251 WeakPolarHBondContact O-CB 3.5Å; L247-L251 PolarHBondContact O-N 3.03Å; L247-I288 HydrophobicContact CD2-CG2 4.05Å; L247-T292 HydrophobicContact CD2-CG2 3.68Å
248V73.9Confident73.5Confident22 Ų2251.4 Ų51.413%0.13329%0.292CS..Hα-helixtrans-73-36.4-180167.40000112.4M244 H245 E246 T252 V285M244-V248 HydrophobicContact CG-CG2 4.18Å; M244-V248 VanDerWaalsContact O-CB 3.24Å; M244-V248 WeakPolarHBondContact O-CB 3.35Å; M244-V248 WeakPolarHBondContact O-CG2 3.47Å; M244-V248 PolarHBondContact O-N 3.28Å; M244-V248 VanDerWaalsContact O-N 3.07Å; M244-V248 HydrophobicContact SD-CG2 3.73Å; H245-V248 PolarHBondContact O-N 3.28Å; E246-V248 VanDerWaalsContact C-N 3.28Å; E246-V248 PolarHBondContact O-N 2.58Å; V248-T252 HydrophobicContact CG1-CG2 4.37Å; V248-T252 VanDerWaalsContact O-CB 3.3Å; V248-T252 WeakPolarHBondContact O-CB 3.42Å; V248-T252 VanDerWaalsContact O-CG2 3.26Å; V248-T252 WeakPolarHBondContact O-CG2 3.16Å; V248-T252 PolarHBondContact O-N 3.35Å; V248-T252 PolarHBondContact O-OG1 2.94Å; V248-V285 HydrophobicContact CG1-CG1 4.23Å; V248-V285 HydrophobicContact CG1-CG2 3.58Å; V248-V285 HydrophobicContact CG2-CG1 3.85Å; V248-V285 HydrophobicContact CG2-CG2 4.21Å
249T76.2Confident72.5Confident59 Ų5952.1 Ų52.136%0.36230%0.302SS..Hα-helixtrans-68.2-49.7174.851.60000110.5H245 E246 L251 T252 V253H245-T249 WeakPolarHBondContact O-CG2 3.21Å; H245-T249 PolarHBondContact O-N 2.81Å; H245-T249 PolarHBondContact O-OG1 2.72Å; H245-T249 VanDerWaalsContact O-OG1 3.12Å; E246-T249 WeakPolarHBondContact CA-OG1 3.18Å; E246-T249 PolarHBondContact O-N 2.88Å; E246-T249 PolarHBondContact O-OG1 3.3Å; T249-L251 PolarHBondContact O-N 2.68Å; T249-T252 PolarHBondContact O-N 3.01Å; T249-V253 WeakPolarHBondContact O-CB 3.36Å; T249-V253 VanDerWaalsContact O-CG2 3.29Å; T249-V253 WeakPolarHBondContact O-CG2 3.28Å; T249-V253 PolarHBondContact O-N 2.84Å
250H80.7Confident71.4Confident13 Ų1356.3 Ų56.36%0.0632%0.323CS..Hα-helixtrans-51-58.4173.5155.658.5000111.4C222 C237 F241 E246 T252 V253 E254 H255C222-H250 PolarHBondContact SG-NE2 3.49Å; C222-H250 VanDerWaalsContact SG-NE2 3.41Å; C237-H250 PolarHBondContact SG-CE1 3.02Å; C237-H250 PolarHBondContact SG-NE2 3.12Å; F241-H250 HydrophobicContact CE1-CB 3.87Å; F241-H250 HydrophobicContact CE2-CB 4.11Å; F241-H250 AromaticContact CE2-CD2 3.28Å; F241-H250 WeakPolarHBondContact CE2-CD2 3.47Å; F241-H250 AromaticContact CE2-CG 3.79Å; F241-H250 HydrophobicContact CZ-CB 3.44Å; F241-H250 VanDerWaalsContact CZ-CB 3.44Å; F241-H250 AromaticContact CZ-CD2 3.32Å; F241-H250 WeakPolarHBondContact CZ-CD2 3.13Å; F241-H250 AromaticContact CZ-CG 3.3Å; E246-H250 WeakPolarHBondContact O-CB 3.09Å; E246-H250 PolarHBondContact O-N 3.21Å; H250-T252 VanDerWaalsContact C-N 3.29Å; H250-T252 PolarHBondContact O-N 3.39Å; H250-V253 PolarHBondContact O-N 3.3Å; H250-E254 IonicContact CE1-OE2 3.29Å; H250-E254 PolarHBondContact CE1-OE2 3.41Å; H250-E254 IonicContact CG-OE2 3.3Å; H250-E254 IonicContact ND1-OE2 2.72Å; H250-E254 PolarHBondContact ND1-OE2 3.22Å; H250-E254 WeakPolarHBondContact O-CB 3.24Å; H250-E254 PolarHBondContact O-N 3.04Å; H250-H255 AromaticContact CE1-CD2 3.49Å; H250-H255 PolarHBondContact CE1-CD2 3.47Å; H250-H255 VanDerWaalsContact CE1-CD2 3.49Å; H250-H255 AromaticContact CE1-NE2 3.22Å; H250-H255 PolarHBondContact CE1-NE2 2.96Å; H250-H255 AromaticContact NE2-CD2 3.47Å; H250-H255 PolarHBondContact NE2-CD2 3.21Å; H250-H255 AromaticContact NE2-NE2 3.39Å; H250-H255 PolarHBondContact NE2-NE2 2.84Å
251L75.7Confident70.4Confident1 Ų156.8 Ų56.81%0.00532%0.319CS..Iπ-helixtrans-60.2-41.7-175.7-164.784.7000111.7W224 L247 T249 V253 H255 V256 I288W224-L251 HydrophobicContact CB-CD1 4.11Å; W224-L251 HydrophobicContact CD2-CD1 3.72Å; W224-L251 HydrophobicContact CE3-CD1 3.36Å; W224-L251 HydrophobicContact CE3-CD2 4.13Å; W224-L251 HydrophobicContact CE3-CG 4.13Å; W224-L251 HydrophobicContact CG-CD1 4.07Å; W224-L251 HydrophobicContact CH2-CD2 4.49Å; W224-L251 HydrophobicContact CZ3-CD1 3.83Å; W224-L251 HydrophobicContact CZ3-CD2 3.79Å; W224-L251 HydrophobicContact CZ3-CG 4.09Å; L247-L251 VanDerWaalsContact O-CB 3.27Å; L247-L251 WeakPolarHBondContact O-CB 3.5Å; L247-L251 PolarHBondContact O-N 3.03Å; T249-L251 PolarHBondContact O-N 2.68Å; L251-V253 VanDerWaalsContact C-N 3.34Å; L251-V253 PolarHBondContact O-N 3.07Å; L251-H255 HydrophobicContact CD1-CB 4Å; L251-H255 HydrophobicContact CG-CB 4.25Å; L251-H255 CarbonylContact O-C 3.57Å; L251-H255 WeakPolarHBondContact O-CA 3.43Å; L251-H255 WeakPolarHBondContact O-CB 3.26Å; L251-H255 PolarHBondContact O-N 2.67Å; L251-V256 PolarHBondContact O-N 3.27Å; L251-I288 HydrophobicContact CD2-CD1 3.19Å; L251-I288 HydrophobicContact CD2-CG1 4.02Å
252T72.7Confident69.2Low5 Ų559.7 Ų59.73%0.03134%0.344CS..Iπ-helixtrans-87.5-1.4-173.869.40000115V248 T249 H250 V256 K281 V285V248-T252 HydrophobicContact CG1-CG2 4.37Å; V248-T252 VanDerWaalsContact O-CB 3.3Å; V248-T252 WeakPolarHBondContact O-CB 3.42Å; V248-T252 VanDerWaalsContact O-CG2 3.26Å; V248-T252 WeakPolarHBondContact O-CG2 3.16Å; V248-T252 PolarHBondContact O-N 3.35Å; V248-T252 PolarHBondContact O-OG1 2.94Å; T249-T252 PolarHBondContact O-N 3.01Å; H250-T252 VanDerWaalsContact C-N 3.29Å; H250-T252 PolarHBondContact O-N 3.39Å; T252-V256 HydrophobicContact CG2-CG2 4.44Å; T252-K281 VanDerWaalsContact CB-NZ 3.26Å; T252-K281 HydrophobicContact CG2-CD 4.42Å; T252-K281 HydrophobicContact CG2-CG 4.22Å; T252-K281 WeakPolarHBondContact OG1-CE 3.22Å; T252-K281 PolarHBondContact OG1-NZ 3.16Å; T252-V285 HydrophobicContact CG2-CG2 4.42Å
253V73.6Confident68.8Low100 Ų10059.2 Ų59.261%0.60633%0.334SS*.Iπ-helixtrans-99-54.9165.5172.40000109.6T249 H250 L251T249-V253 WeakPolarHBondContact O-CB 3.36Å; T249-V253 VanDerWaalsContact O-CG2 3.29Å; T249-V253 WeakPolarHBondContact O-CG2 3.28Å; T249-V253 PolarHBondContact O-N 2.84Å; H250-V253 PolarHBondContact O-N 3.3Å; L251-V253 VanDerWaalsContact C-N 3.34Å; L251-V253 PolarHBondContact O-N 3.07Å
254E69.7Low68.6Low107 Ų10757 Ų5750%0.532%0.32SS..Iπ-helixtrans-90.1-23.7-166.3-57.8-167.7136.300114.4K239 H250K239-E254 IonicContact NZ-OE1 3.49Å; K239-E254 PolarHBondContact NZ-OE1 2.97Å; K239-E254 IonicContact NZ-OE2 2.66Å; K239-E254 PolarHBondContact NZ-OE2 2.84Å; H250-E254 IonicContact CE1-OE2 3.29Å; H250-E254 PolarHBondContact CE1-OE2 3.41Å; H250-E254 IonicContact CG-OE2 3.3Å; H250-E254 IonicContact ND1-OE2 2.72Å; H250-E254 PolarHBondContact ND1-OE2 3.22Å; H250-E254 WeakPolarHBondContact O-CB 3.24Å; H250-E254 PolarHBondContact O-N 3.04Å
255H70.8Confident68.6Low33 Ų3358.5 Ų58.515%0.15333%0.327CS..Iπ-helixtrans-118.1-20.5-174.9-67.5-41.8000114.9W224 C237 H250 L251W224-H255 AromaticContact CD1-CD2 3.89Å; W224-H255 AromaticContact CD1-CG 3.52Å; W224-H255 AromaticContact CD1-ND1 3.61Å; W224-H255 HydrophobicContact CD2-CB 4.03Å; W224-H255 HydrophobicContact CG-CB 4.13Å; W224-H255 AromaticContact CG-CD2 3.85Å; W224-H255 AromaticContact CG-CG 3.85Å; W224-H255 HydrophobicContact CZ2-CB 3.92Å; W224-H255 AromaticContact NE1-CG 3.76Å; W224-H255 AromaticContact NE1-ND1 3.96Å; C237-H255 WeakPolarHBondContact CB-NE2 3.43Å; C237-H255 PolarHBondContact SG-NE2 2.91Å; C237-H255 VanDerWaalsContact SG-NE2 3.37Å; H250-H255 AromaticContact CE1-CD2 3.49Å; H250-H255 PolarHBondContact CE1-CD2 3.47Å; H250-H255 VanDerWaalsContact CE1-CD2 3.49Å; H250-H255 AromaticContact CE1-NE2 3.22Å; H250-H255 PolarHBondContact CE1-NE2 2.96Å; H250-H255 AromaticContact NE2-CD2 3.47Å; H250-H255 PolarHBondContact NE2-CD2 3.21Å; H250-H255 AromaticContact NE2-NE2 3.39Å; H250-H255 PolarHBondContact NE2-NE2 2.84Å; L251-H255 HydrophobicContact CD1-CB 4Å; L251-H255 HydrophobicContact CG-CB 4.25Å; L251-H255 CarbonylContact O-C 3.57Å; L251-H255 WeakPolarHBondContact O-CA 3.43Å; L251-H255 WeakPolarHBondContact O-CB 3.26Å; L251-H255 PolarHBondContact O-N 2.67Å
256V69Low68.7Low5 Ų552.6 Ų52.63%0.0330%0.3CS..SBendtrans-103.7-0.9172.6-172.90000111.5W224 L251 T252 G258 Q261 H264 L284W224-V256 HydrophobicContact CH2-CG2 4.29Å; L251-V256 PolarHBondContact O-N 3.27Å; T252-V256 HydrophobicContact CG2-CG2 4.44Å; V256-G258 VanDerWaalsContact C-N 3.34Å; V256-G258 PolarHBondContact O-N 3.46Å; V256-Q261 WeakPolarHBondContact O-CG 3.3Å; V256-Q261 PolarHBondContact O-NE2 2.97Å; V256-Q261 PolarHBondContact O-OE1 3.28Å; V256-H264 HydrophobicContact CG1-CB 3.74Å; V256-H264 WeakPolarHBondContact CG1-ND1 3.27Å; V256-L284 HydrophobicContact CG2-CD2 3.61Å
257G60.1Low68.3Low45 Ų4551.7 Ų51.746%0.46430%0.295SS..  trans54.742.4170.200000115Q261G257-Q261 PolarHBondContact O-NE2 3.48Å
258G55.8Low68Low20 Ų2052.3 Ų52.321%0.20630%0.297CS..SBendtrans100-174.8172.900000116.1V256V256-G258 VanDerWaalsContact C-N 3.34Å; V256-G258 PolarHBondContact O-N 3.46Å
259P54.9Low67.6Low108 Ų10855.2 Ų55.270%0.70131%0.309SS*.SBendtrans-83.3-20.9-172.829.5-30.7000114.9
260E54.8Low67.2Low186 Ų18659.7 Ų59.787%0.86933%0.326SS*.  trans-97.6-4.2-167.1-59-167.713400115.1S262E260-S262 PolarHBondContact O-N 3.31Å; E260-S262 VanDerWaalsContact O-N 3.13Å
261Q56.4Low67Low94 Ų9459.5 Ų59.544%0.43933%0.326SS..  trans-65.2116.5176.5-61.2-159.311.800110.8V256 G257 N263 H264V256-Q261 WeakPolarHBondContact O-CG 3.3Å; V256-Q261 PolarHBondContact O-NE2 2.97Å; V256-Q261 PolarHBondContact O-OE1 3.28Å; G257-Q261 PolarHBondContact O-NE2 3.48Å; Q261-N263 PolarHBondContact O-N 3.1Å; Q261-N263 VanDerWaalsContact O-N 3.13Å; Q261-H264 PolarHBondContact O-CE1 2.75Å; Q261-H264 PolarHBondContact O-ND1 2.61Å
262S54.6Low66.6Low96 Ų9666.2 Ų66.267%0.67137%0.367SS*.SBendtrans-63.2-19.1-17757.90000114.5E260E260-S262 PolarHBondContact O-N 3.31Å; E260-S262 VanDerWaalsContact O-N 3.13Å
263N64.9Low66Low89 Ų8970.9 Ų70.948%0.47638%0.384SS..  trans-12776.7-173.6-77-42.9000110.8Q261 I265 P277Q261-N263 PolarHBondContact O-N 3.1Å; Q261-N263 VanDerWaalsContact O-N 3.13Å; N263-I265 PolarHBondContact O-N 3.18Å; N263-P277 HydrophobicContact CB-CB 3.69Å; N263-P277 VanDerWaalsContact OD1-CB 3.26Å; N263-P277 WeakPolarHBondContact OD1-CB 3.35Å; N263-P277 WeakPolarHBondContact OD1-CG 3.16Å
264H72.7Confident65.3Low13 Ų1370.5 Ų70.56%0.0638%0.375CS..BIsolated β-bridgetrans-71.7102.9171.4-31.7-74.3000108.6V256 Q261 F278 K281 L284V256-H264 HydrophobicContact CG1-CB 3.74Å; V256-H264 WeakPolarHBondContact CG1-ND1 3.27Å; Q261-H264 PolarHBondContact O-CE1 2.75Å; Q261-H264 PolarHBondContact O-ND1 2.61Å; H264-F278 PolarHBondContact CD2-O 3.03Å; H264-F278 PolarHBondContact N-O 3.19Å; H264-F278 VanDerWaalsContact O-CB 3.31Å; H264-F278 WeakPolarHBondContact O-CB 3.38Å; H264-F278 VanDerWaalsContact O-CD2 3.27Å; H264-F278 WeakPolarHBondContact O-CD2 3.31Å; H264-F278 PolarHBondContact O-N 3.15Å; H264-K281 PolarHBondContact CD2-N 2.83Å; H264-K281 PolarHBondContact NE2-N 3.44Å; H264-L284 HydrophobicContact CB-CB 4.46Å; H264-L284 HydrophobicContact CB-CD2 3.74Å
265I72.2Confident64.6Low43 Ų4367.4 Ų67.422%0.22137%0.373CS..  trans-85.3175.1178-60.4161.9000109.2W224 N263 F267 P277 L284W224-I265 VanDerWaalsContact CH2-O 3.28Å; W224-I265 WeakPolarHBondContact CH2-O 3.46Å; N263-I265 PolarHBondContact O-N 3.18Å; I265-F267 HydrophobicContact CB-CD2 4.32Å; I265-F267 HydrophobicContact CB-CE2 3.65Å; I265-F267 HydrophobicContact CB-CZ 3.8Å; I265-F267 HydrophobicContact CD1-CE2 4.22Å; I265-F267 HydrophobicContact CD1-CZ 3.82Å; I265-F267 HydrophobicContact CG1-CZ 4.4Å; I265-F267 HydrophobicContact CG2-CD1 4.13Å; I265-F267 HydrophobicContact CG2-CD2 4.08Å; I265-F267 HydrophobicContact CG2-CE1 3.64Å; I265-F267 HydrophobicContact CG2-CE2 3.58Å; I265-F267 HydrophobicContact CG2-CG 4.34Å; I265-F267 HydrophobicContact CG2-CZ 3.34Å; I265-P277 HydrophobicContact CG1-CB 3.88Å; I265-L284 WeakPolarHBondContact O-CD1 3.43Å; I265-L284 WeakPolarHBondContact O-CD2 3.29Å
266C76.1Confident64.3Low0 Ų072.3 Ų72.30%039%0.393CS..  trans-126.3121.8165.9-164.60000108.5W224 F278 L284W224-C266 HydrophobicContact CZ3-CB 4.41Å; C266-F278 HydrophobicContact CB-CE2 3.99Å; C266-L284 HydrophobicContact CB-CD1 3.58Å
267F68.7Low64.4Low46 Ų4675.1 Ų75.120%0.20241%0.412CS..  trans-117.967.5178.2-60.1-72.5000108.7W224 V225 P227 I265W224-F267 CarbonylContact C-O 3.49Å; W224-F267 WeakPolarHBondContact CA-O 3.41Å; W224-F267 HydrophobicContact CD2-CB 4.3Å; W224-F267 HydrophobicContact CH2-CD2 4.41Å; W224-F267 HydrophobicContact CZ2-CB 4.34Å; W224-F267 AromaticContact CZ2-CD2 3.71Å; W224-F267 HydrophobicContact CZ2-CD2 3.71Å; V225-F267 PolarHBondContact N-O 3.45Å; V225-F267 VanDerWaalsContact O-CB 3.28Å; V225-F267 WeakPolarHBondContact O-CB 3.39Å; P227-F267 HydrophobicContact CB-CZ 4.37Å; P227-F267 HydrophobicContact CG-CD1 4.29Å; P227-F267 HydrophobicContact CG-CD2 3.69Å; P227-F267 HydrophobicContact CG-CE1 3.99Å; P227-F267 HydrophobicContact CG-CE2 3.35Å; P227-F267 HydrophobicContact CG-CG 4.15Å; P227-F267 HydrophobicContact CG-CZ 3.5Å; P227-F267 VanDerWaalsContact CG-CZ 3.5Å; I265-F267 HydrophobicContact CB-CD2 4.32Å; I265-F267 HydrophobicContact CB-CE2 3.65Å; I265-F267 HydrophobicContact CB-CZ 3.8Å; I265-F267 HydrophobicContact CD1-CE2 4.22Å; I265-F267 HydrophobicContact CD1-CZ 3.82Å; I265-F267 HydrophobicContact CG1-CZ 4.4Å; I265-F267 HydrophobicContact CG2-CD1 4.13Å; I265-F267 HydrophobicContact CG2-CD2 4.08Å; I265-F267 HydrophobicContact CG2-CE1 3.64Å; I265-F267 HydrophobicContact CG2-CE2 3.58Å; I265-F267 HydrophobicContact CG2-CG 4.34Å; I265-F267 HydrophobicContact CG2-CZ 3.34Å
268W74.7Confident65.1Low14 Ų1473.9 Ų73.95%0.05339%0.394CS..BIsolated β-bridgetrans-105.6129-178.8-170-69.9000108I221 K223 E270 C271 E274 I288 H291 T292I221-W268 WeakPolarHBondContact O-CH2 3.49Å; I221-W268 WeakPolarHBondContact O-CZ2 3.41Å; K223-W268 HydrophobicContact CB-CD2 4.22Å; K223-W268 HydrophobicContact CB-CZ2 3.96Å; K223-W268 WeakPolarHBondContact O-CA 3.42Å; W268-E270 PolarHBondContact O-N 3.09Å; W268-C271 HydrophobicContact CB-CB 4.3Å; W268-C271 VanDerWaalsContact O-CB 3.26Å; W268-C271 WeakPolarHBondContact O-CB 3.42Å; W268-C271 PolarHBondContact O-N 2.9Å; W268-E274 VanDerWaalsContact O-OE1 3.04Å; W268-I288 HydrophobicContact CZ3-CG2 4.01Å; W268-H291 AromaticContact CD1-CE1 3.66Å; W268-H291 AromaticContact CD1-CG 3.72Å; W268-H291 AromaticContact CD1-ND1 3.67Å; W268-H291 HydrophobicContact CD2-CB 3.89Å; W268-H291 AromaticContact CD2-CD2 3.91Å; W268-H291 AromaticContact CD2-CG 3.87Å; W268-H291 VanDerWaalsContact CE2-CB 3.47Å; W268-H291 AromaticContact CE2-CG 3.9Å; W268-H291 HydrophobicContact CG-CB 4.24Å; W268-H291 AromaticContact CG-CD2 3.77Å; W268-H291 AromaticContact CG-CG 3.76Å; W268-H291 AromaticContact CG-ND1 3.99Å; W268-H291 HydrophobicContact CH2-CB 4.39Å; W268-H291 HydrophobicContact CZ2-CB 3.76Å; W268-H291 AromaticContact NE1-CE1 3.91Å; W268-H291 AromaticContact NE1-CG 3.81Å; W268-T292 HydrophobicContact CH2-CG2 4.06Å
269E65.8Low66Low83 Ų8382.7 Ų82.739%0.38843%0.426SS..THydrogen-bonded Turntrans-42.4-24.9-161.9-65.6173.5147.100118.4K223 V225K223-E269 HydrophobicContact CB-CG 4.26Å; K223-E269 WeakPolarHBondContact CD-OE2 3.28Å; K223-E269 WeakPolarHBondContact CG-OE2 3.32Å; K223-E269 IonicContact NZ-OE2 3.21Å; K223-E269 PolarHBondContact NZ-OE2 2.95Å; K223-E269 PolarHBondContact O-N 2.82Å; V225-E269 HydrophobicContact CG2-CG 3.8Å
270E67.8Low67.1Low153 Ų15378.7 Ų78.772%0.71540%0.403SS*.THydrogen-bonded Turntrans-124.327.4-177.9-62.7174.2-168.900112.6W268 V272W268-E270 PolarHBondContact O-N 3.09Å; E270-V272 PolarHBondContact O-N 2.98Å
271C76.3Confident67.9Low8 Ų873.4 Ų73.45%0.05438%0.377CS..  trans-82113.8-172.3-167.60000112.9W268 R273 E274 H287 H291W268-C271 HydrophobicContact CB-CB 4.3Å; W268-C271 VanDerWaalsContact O-CB 3.26Å; W268-C271 WeakPolarHBondContact O-CB 3.42Å; W268-C271 PolarHBondContact O-N 2.9Å; C271-R273 PolarHBondContact O-N 3.43Å; C271-R273 PolarHBondContact SG-N 3.32Å; C271-R273 VanDerWaalsContact SG-N 3.45Å; C271-E274 WeakPolarHBondContact CA-OE1 3.46Å; C271-E274 WeakPolarHBondContact CB-OE1 3.5Å; C271-E274 PolarHBondContact N-OE1 2.9Å; C271-E274 WeakPolarHBondContact O-CG 3.36Å; C271-E274 PolarHBondContact O-N 2.51Å; C271-H287 VanDerWaalsContact SG-CE1 3.58Å; C271-H287 PolarHBondContact SG-NE2 2.23Å; C271-H291 WeakPolarHBondContact CA-NE2 3.48Å; C271-H291 WeakPolarHBondContact CB-NE2 3.41Å; C271-H291 PolarHBondContact SG-NE2 3.04Å
272V67.1Low68.8Low143 Ų14375.5 Ų75.587%0.86738%0.381SS*.THydrogen-bonded Turntrans-61.810.7170.4-1600000113.5E270E270-V272 PolarHBondContact O-N 2.98Å
273R60.9Low70Confident102 Ų10276 Ų7639%0.38537%0.372SS..THydrogen-bonded Turntrans-133.129.5172.9-65.5-165.6-66.8-170.9-10.6113.8C271 G275 K276 H287C271-R273 PolarHBondContact O-N 3.43Å; C271-R273 PolarHBondContact SG-N 3.32Å; C271-R273 VanDerWaalsContact SG-N 3.45Å; R273-G275 PolarHBondContact O-N 3.37Å; R273-K276 HydrophobicContact CB-CB 4.49Å; R273-K276 PolarHBondContact O-N 3.01Å; R273-K276 VanDerWaalsContact O-N 3.12Å; R273-H287 PolarHBondContact NH2-CD2 3.21Å; R273-H287 PolarHBondContact NH2-CE1 3.47Å; R273-H287 VanDerWaalsContact NH2-CE1 3.33Å; R273-H287 PolarHBondContact NH2-ND1 3.38Å; R273-H287 VanDerWaalsContact NH2-ND1 3.11Å; R273-H287 PolarHBondContact NH2-NE2 3.22Å
274E57.3Low70.7Confident92 Ų9271.8 Ų71.843%0.4335%0.349SS..THydrogen-bonded Turntrans-40.3135.2170-68.7-43.313700112.6W268 C271 K276W268-E274 VanDerWaalsContact O-OE1 3.04Å; C271-E274 WeakPolarHBondContact CA-OE1 3.46Å; C271-E274 WeakPolarHBondContact CB-OE1 3.5Å; C271-E274 PolarHBondContact N-OE1 2.9Å; C271-E274 WeakPolarHBondContact O-CG 3.36Å; C271-E274 PolarHBondContact O-N 2.51Å; E274-K276 PolarHBondContact O-N 3.03Å; E274-K276 VanDerWaalsContact O-N 3.11Å
275G56.2Low70.9Confident43 Ų4372.3 Ų72.344%0.44335%0.353SS..THydrogen-bonded Turntrans69.1-1.8176.800000116.9R273 P277R273-G275 PolarHBondContact O-N 3.37Å; G275-P277 WeakPolarHBondContact O-CD 3.34Å
276K64.9Low71.3Confident135 Ų13572.9 Ų72.959%0.58736%0.357SS*.  trans-92.6115-175-72.2173.5-178.3165.70112.5R273 E274R273-K276 HydrophobicContact CB-CB 4.49Å; R273-K276 PolarHBondContact O-N 3.01Å; R273-K276 VanDerWaalsContact O-N 3.12Å; E274-K276 PolarHBondContact O-N 3.03Å; E274-K276 VanDerWaalsContact O-N 3.11Å
277P70.4Confident71.6Confident64 Ų6473.4 Ų73.442%0.41636%0.359SS..  trans-74.2140.7-175.629-35.2000113.5N263 I265 G275N263-P277 HydrophobicContact CB-CB 3.69Å; N263-P277 VanDerWaalsContact OD1-CB 3.26Å; N263-P277 WeakPolarHBondContact OD1-CB 3.35Å; N263-P277 WeakPolarHBondContact OD1-CG 3.16Å; I265-P277 HydrophobicContact CG1-CB 3.88Å; G275-P277 WeakPolarHBondContact O-CD 3.34Å
278F75Confident72Confident20 Ų2071.2 Ų71.29%0.08835%0.349CS..BIsolated β-bridgetrans-90.6123.5168.1-64.7-91.8000109.6H264 C266 A280 K283 L284 H287H264-F278 PolarHBondContact CD2-O 3.03Å; H264-F278 PolarHBondContact N-O 3.19Å; H264-F278 VanDerWaalsContact O-CB 3.31Å; H264-F278 WeakPolarHBondContact O-CB 3.38Å; H264-F278 VanDerWaalsContact O-CD2 3.27Å; H264-F278 WeakPolarHBondContact O-CD2 3.31Å; H264-F278 PolarHBondContact O-N 3.15Å; C266-F278 HydrophobicContact CB-CE2 3.99Å; F278-A280 PolarHBondContact O-N 3.29Å; F278-K283 HydrophobicContact CB-CB 4.22Å; F278-K283 HydrophobicContact CD1-CB 3.76Å; F278-K283 HydrophobicContact CG-CB 4.4Å; F278-L284 HydrophobicContact CB-CB 4.27Å; F278-L284 HydrophobicContact CD2-CB 4.17Å; F278-L284 HydrophobicContact CD2-CD1 4Å; F278-L284 HydrophobicContact CE2-CD1 4.13Å; F278-L284 HydrophobicContact CG-CB 4.14Å; F278-H287 HydrophobicContact CE1-CB 4.1Å; F278-H287 AromaticContact CE2-CD2 3.54Å; F278-H287 HydrophobicContact CZ-CB 3.99Å; F278-H287 AromaticContact CZ-CD2 3.12Å; F278-H287 WeakPolarHBondContact CZ-CD2 3.47Å; F278-H287 AromaticContact CZ-CG 3.8Å; F278-H287 AromaticContact CZ-NE2 3.87Å
279K74.4Confident72.4Confident205 Ų20572.5 Ų72.589%0.89135%0.354SS*.SBendtrans-65.54.6177.1-58-167.7175.1-165.50115.7
280A77.9Confident73.1Confident24 Ų2473.6 Ų73.620%0.19837%0.367CS..SBendtrans-167137.7177.400000112.9F278 Y282 K283F278-A280 PolarHBondContact O-N 3.29Å; A280-Y282 VanDerWaalsContact C-N 3.26Å; A280-Y282 HydrophobicContact CB-CD1 3.61Å; A280-Y282 HydrophobicContact CB-CE1 3.49Å; A280-Y282 VanDerWaalsContact CB-CE1 3.49Å; A280-Y282 PolarHBondContact O-N 3.49Å; A280-Y282 VanDerWaalsContact O-N 3.12Å; A280-K283 HydrophobicContact CB-CG 4.28Å; A280-K283 WeakPolarHBondContact O-CB 3.49Å; A280-K283 PolarHBondContact O-N 3.2Å
281K72.3Confident73.7Confident75 Ų7569 Ų6933%0.32635%0.345SS..Hα-helixtrans-47.3-43.7-179178.5166174.3153.30113.2T252 H264 K283 L284 V285T252-K281 VanDerWaalsContact CB-NZ 3.26Å; T252-K281 HydrophobicContact CG2-CD 4.42Å; T252-K281 HydrophobicContact CG2-CG 4.22Å; T252-K281 WeakPolarHBondContact OG1-CE 3.22Å; T252-K281 PolarHBondContact OG1-NZ 3.16Å; H264-K281 PolarHBondContact CD2-N 2.83Å; H264-K281 PolarHBondContact NE2-N 3.44Å; K281-K283 VanDerWaalsContact C-N 3.28Å; K281-K283 PolarHBondContact O-N 3.23Å; K281-L284 PolarHBondContact O-N 3.42Å; K281-V285 WeakPolarHBondContact O-CG2 3.36Å; K281-V285 PolarHBondContact O-N 2.85Å
282Y75.3Confident73.7Confident137 Ų13769.3 Ų69.354%0.53735%0.347SS..Hα-helixtrans-66.2-24.5179.581.6-88.9000114A280 N286A280-Y282 VanDerWaalsContact C-N 3.26Å; A280-Y282 HydrophobicContact CB-CD1 3.61Å; A280-Y282 HydrophobicContact CB-CE1 3.49Å; A280-Y282 VanDerWaalsContact CB-CE1 3.49Å; A280-Y282 PolarHBondContact O-N 3.49Å; A280-Y282 VanDerWaalsContact O-N 3.12Å; Y282-N286 WeakPolarHBondContact O-CB 3.47Å; Y282-N286 PolarHBondContact O-N 3.05Å; Y282-N286 PolarHBondContact O-ND2 3Å
283K80.2Confident74.2Confident107 Ų10764.3 Ų64.347%0.46532%0.324SS..Hα-helixtrans-74.1-38.7175.4-62-67-159-154.80111.2F278 A280 K281 N286 H287F278-K283 HydrophobicContact CB-CB 4.22Å; F278-K283 HydrophobicContact CD1-CB 3.76Å; F278-K283 HydrophobicContact CG-CB 4.4Å; A280-K283 HydrophobicContact CB-CG 4.28Å; A280-K283 WeakPolarHBondContact O-CB 3.49Å; A280-K283 PolarHBondContact O-N 3.2Å; K281-K283 VanDerWaalsContact C-N 3.28Å; K281-K283 PolarHBondContact O-N 3.23Å; K283-N286 PolarHBondContact O-N 3.36Å; K283-H287 PolarHBondContact O-N 3.01Å; K283-H287 VanDerWaalsContact O-N 3.09Å
284L78.2Confident74.9Confident0 Ų061 Ų610%031%0.313CS..Hα-helixtrans-63.5-47171.6175.558.9000110.7V256 H264 I265 C266 F278 K281 N286 H287 I288V256-L284 HydrophobicContact CG2-CD2 3.61Å; H264-L284 HydrophobicContact CB-CB 4.46Å; H264-L284 HydrophobicContact CB-CD2 3.74Å; I265-L284 WeakPolarHBondContact O-CD1 3.43Å; I265-L284 WeakPolarHBondContact O-CD2 3.29Å; C266-L284 HydrophobicContact CB-CD1 3.58Å; F278-L284 HydrophobicContact CB-CB 4.27Å; F278-L284 HydrophobicContact CD2-CB 4.17Å; F278-L284 HydrophobicContact CD2-CD1 4Å; F278-L284 HydrophobicContact CE2-CD1 4.13Å; F278-L284 HydrophobicContact CG-CB 4.14Å; K281-L284 PolarHBondContact O-N 3.42Å; L284-N286 VanDerWaalsContact C-N 3.31Å; L284-N286 PolarHBondContact O-N 3.04Å; L284-H287 WeakPolarHBondContact O-CA 3.33Å; L284-H287 VanDerWaalsContact O-CB 3.25Å; L284-H287 WeakPolarHBondContact O-CB 3.39Å; L284-H287 PolarHBondContact O-N 2.88Å; L284-I288 HydrophobicContact CD1-CD1 4.06Å; L284-I288 HydrophobicContact CD1-CG1 4.33Å; L284-I288 HydrophobicContact CG-CD1 3.91Å; L284-I288 WeakPolarHBondContact O-CD1 3.43Å; L284-I288 PolarHBondContact O-N 2.82Å
285V77Confident76Confident24 Ų2461.7 Ų61.715%0.14531%0.314CS..Hα-helixtrans-56.2-42.7173.9173.30000112.5V248 T252 K281 H287V248-V285 HydrophobicContact CG1-CG1 4.23Å; V248-V285 HydrophobicContact CG1-CG2 3.58Å; V248-V285 HydrophobicContact CG2-CG1 3.85Å; V248-V285 HydrophobicContact CG2-CG2 4.21Å; T252-V285 HydrophobicContact CG2-CG2 4.42Å; K281-V285 WeakPolarHBondContact O-CG2 3.36Å; K281-V285 PolarHBondContact O-N 2.85Å; V285-H287 PolarHBondContact O-N 3.24Å
286N79.9Confident77.1Confident56 Ų5661 Ų6130%0.29930%0.302SS..Hα-helixtrans-70.7-15.1174.6-82.6-90000113.9Y282 K283 L284 R310Y282-N286 WeakPolarHBondContact O-CB 3.47Å; Y282-N286 PolarHBondContact O-N 3.05Å; Y282-N286 PolarHBondContact O-ND2 3Å; K283-N286 PolarHBondContact O-N 3.36Å; L284-N286 VanDerWaalsContact C-N 3.31Å; L284-N286 PolarHBondContact O-N 3.04Å; N286-R310 WeakPolarHBondContact OD1-CG 3.37Å
287H82.9Confident78Confident10 Ų1057.5 Ų57.55%0.04629%0.287CS..Hα-helixtrans-84.6-41.1174.417619000112.4C271 R273 F278 K283 L284 V285 R289 V290C271-H287 VanDerWaalsContact SG-CE1 3.58Å; C271-H287 PolarHBondContact SG-NE2 2.23Å; R273-H287 PolarHBondContact NH2-CD2 3.21Å; R273-H287 PolarHBondContact NH2-CE1 3.47Å; R273-H287 VanDerWaalsContact NH2-CE1 3.33Å; R273-H287 PolarHBondContact NH2-ND1 3.38Å; R273-H287 VanDerWaalsContact NH2-ND1 3.11Å; R273-H287 PolarHBondContact NH2-NE2 3.22Å; F278-H287 HydrophobicContact CE1-CB 4.1Å; F278-H287 AromaticContact CE2-CD2 3.54Å; F278-H287 HydrophobicContact CZ-CB 3.99Å; F278-H287 AromaticContact CZ-CD2 3.12Å; F278-H287 WeakPolarHBondContact CZ-CD2 3.47Å; F278-H287 AromaticContact CZ-CG 3.8Å; F278-H287 AromaticContact CZ-NE2 3.87Å; K283-H287 PolarHBondContact O-N 3.01Å; K283-H287 VanDerWaalsContact O-N 3.09Å; L284-H287 WeakPolarHBondContact O-CA 3.33Å; L284-H287 VanDerWaalsContact O-CB 3.25Å; L284-H287 WeakPolarHBondContact O-CB 3.39Å; L284-H287 PolarHBondContact O-N 2.88Å; V285-H287 PolarHBondContact O-N 3.24Å; H287-R289 PolarHBondContact O-N 3.32Å; H287-R289 VanDerWaalsContact O-N 3.15Å; H287-V290 WeakPolarHBondContact O-CB 3.43Å; H287-V290 VanDerWaalsContact O-CG2 3.31Å; H287-V290 WeakPolarHBondContact O-CG2 3.43Å; H287-V290 PolarHBondContact O-N 2.71Å
288I77.8Confident78.7Confident1 Ų157.2 Ų57.21%0.00529%0.285CS..Hα-helixtrans-59.7-29.8-177.2-66.5143.2000111.7L247 L251 W268 L284 V290 H291 T292L247-I288 HydrophobicContact CD2-CG2 4.05Å; L251-I288 HydrophobicContact CD2-CD1 3.19Å; L251-I288 HydrophobicContact CD2-CG1 4.02Å; W268-I288 HydrophobicContact CZ3-CG2 4.01Å; L284-I288 HydrophobicContact CD1-CD1 4.06Å; L284-I288 HydrophobicContact CD1-CG1 4.33Å; L284-I288 HydrophobicContact CG-CD1 3.91Å; L284-I288 WeakPolarHBondContact O-CD1 3.43Å; L284-I288 PolarHBondContact O-N 2.82Å; I288-V290 PolarHBondContact O-N 3.32Å; I288-V290 VanDerWaalsContact O-N 3.09Å; I288-H291 WeakPolarHBondContact O-CA 3.11Å; I288-H291 PolarHBondContact O-N 2.89Å; I288-T292 HydrophobicContact CG2-CG2 4.13Å; I288-T292 PolarHBondContact O-N 3.14Å; I288-T292 PolarHBondContact O-OG1 3.1Å
289R82.7Confident79.3Confident40 Ų4056.9 Ų56.915%0.15129%0.285CS..Hα-helixtrans-58.7-15.5169.7-66.3-177167.8173.41.3115.6H287 G293 E294 A309H287-R289 PolarHBondContact O-N 3.32Å; H287-R289 VanDerWaalsContact O-N 3.15Å; R289-G293 WeakPolarHBondContact O-CA 3.47Å; R289-G293 PolarHBondContact O-N 3.24Å; R289-E294 WeakPolarHBondContact CD-OE2 3.26Å; R289-E294 HydrophobicContact CG-CB 4.5Å; R289-E294 IonicContact CZ-OE2 2.71Å; R289-E294 VanDerWaalsContact CZ-OE2 3.29Å; R289-E294 IonicContact NE-OE2 3.03Å; R289-E294 PolarHBondContact NE-OE2 3.29Å; R289-E294 IonicContact NH2-OE2 3.1Å; R289-E294 PolarHBondContact NH2-OE2 3.03Å; R289-A309 HydrophobicContact CB-CB 4.42Å; R289-A309 WeakPolarHBondContact CD-O 3.47Å; R289-A309 PolarHBondContact NH1-O 2.91Å
290V81.5Confident79.9Confident107 Ų10750.8 Ų50.865%0.64827%0.266SS*.Hα-helixtrans-77.6-36.3170.7-176.90000110.5H287 I288H287-V290 WeakPolarHBondContact O-CB 3.43Å; H287-V290 VanDerWaalsContact O-CG2 3.31Å; H287-V290 WeakPolarHBondContact O-CG2 3.43Å; H287-V290 PolarHBondContact O-N 2.71Å; I288-V290 PolarHBondContact O-N 3.32Å; I288-V290 VanDerWaalsContact O-N 3.09Å
291H79.5Confident80.3Confident57 Ų5753 Ų5326%0.26427%0.271SS..Hα-helixtrans-80.1-39.1177.9-56.5-63.9000112.3W268 C271 I288W268-H291 AromaticContact CD1-CE1 3.66Å; W268-H291 AromaticContact CD1-CG 3.72Å; W268-H291 AromaticContact CD1-ND1 3.67Å; W268-H291 HydrophobicContact CD2-CB 3.89Å; W268-H291 AromaticContact CD2-CD2 3.91Å; W268-H291 AromaticContact CD2-CG 3.87Å; W268-H291 VanDerWaalsContact CE2-CB 3.47Å; W268-H291 AromaticContact CE2-CG 3.9Å; W268-H291 HydrophobicContact CG-CB 4.24Å; W268-H291 AromaticContact CG-CD2 3.77Å; W268-H291 AromaticContact CG-CG 3.76Å; W268-H291 AromaticContact CG-ND1 3.99Å; W268-H291 HydrophobicContact CH2-CB 4.39Å; W268-H291 HydrophobicContact CZ2-CB 3.76Å; W268-H291 AromaticContact NE1-CE1 3.91Å; W268-H291 AromaticContact NE1-CG 3.81Å; C271-H291 WeakPolarHBondContact CA-NE2 3.48Å; C271-H291 WeakPolarHBondContact CB-NE2 3.41Å; C271-H291 PolarHBondContact SG-NE2 3.04Å; I288-H291 WeakPolarHBondContact O-CA 3.11Å; I288-H291 PolarHBondContact O-N 2.89Å
292T76.6Confident80.9Confident14 Ų1455.4 Ų55.49%0.08630%0.295CS..SBendtrans-86.1-9.2178.963.30000114.1Q218 L220 M244 L247 W268 I288 E294Q218-T292 PolarHBondContact NE2-O 3.33Å; L220-T292 HydrophobicContact CD2-CG2 4.14Å; M244-T292 HydrophobicContact CE-CG2 4.17Å; M244-T292 WeakPolarHBondContact CE-OG1 3.49Å; L247-T292 HydrophobicContact CD2-CG2 3.68Å; W268-T292 HydrophobicContact CH2-CG2 4.06Å; I288-T292 HydrophobicContact CG2-CG2 4.13Å; I288-T292 PolarHBondContact O-N 3.14Å; I288-T292 PolarHBondContact O-OG1 3.1Å; T292-E294 PolarHBondContact O-N 2.86Å
293G77.2Confident81.3Confident37 Ų3753.3 Ų53.338%0.38132%0.315SS..  trans65.63.7-176.800000115.9R289 K295R289-G293 WeakPolarHBondContact O-CA 3.47Å; R289-G293 PolarHBondContact O-N 3.24Å; G293-K295 WeakPolarHBondContact O-CG 3.01Å; G293-K295 PolarHBondContact O-N 3.07Å
294E75.8Confident81.7Confident33 Ų3349 Ų4915%0.15430%0.299CS..  trans-61.9127.4-172.1-168.9-135.7-163.800112.4M244 R289 T292 P296 A309M244-E294 WeakPolarHBondContact CB-OE1 3.31Å; M244-E294 HydrophobicContact CE-CB 3.71Å; M244-E294 HydrophobicContact CE-CG 4.01Å; M244-E294 WeakPolarHBondContact CG-OE2 3.06Å; R289-E294 WeakPolarHBondContact CD-OE2 3.26Å; R289-E294 HydrophobicContact CG-CB 4.5Å; R289-E294 IonicContact CZ-OE2 2.71Å; R289-E294 VanDerWaalsContact CZ-OE2 3.29Å; R289-E294 IonicContact NE-OE2 3.03Å; R289-E294 PolarHBondContact NE-OE2 3.29Å; R289-E294 IonicContact NH2-OE2 3.1Å; R289-E294 PolarHBondContact NH2-OE2 3.03Å; T292-E294 PolarHBondContact O-N 2.86Å; E294-P296 VanDerWaalsContact C-CD 3.46Å; E294-P296 HydrophobicContact CG-CB 4.49Å; E294-P296 HydrophobicContact CG-CG 4.35Å; E294-P296 WeakPolarHBondContact O-CD 3.31Å; E294-P296 WeakPolarHBondContact OE1-CB 3.19Å; E294-P296 WeakPolarHBondContact OE2-CD 3.39Å; E294-P296 WeakPolarHBondContact OE2-CG 3.18Å; E294-A309 WeakPolarHBondContact O-CB 3.48Å
295K80.6Confident82Confident106 Ų10652.4 Ų52.446%0.46133%0.333SS..  trans-122.263.3-177.1-68.3160.7-163.6170.80111.7G293 F297 V307 F308 A309G293-K295 WeakPolarHBondContact O-CG 3.01Å; G293-K295 PolarHBondContact O-N 3.07Å; K295-F297 PolarHBondContact O-N 3.26Å; K295-V307 HydrophobicContact CB-CB 3.83Å; K295-V307 HydrophobicContact CB-CG2 3.77Å; K295-V307 HydrophobicContact CD-CG2 3.85Å; K295-V307 HydrophobicContact CG-CG2 4.39Å; K295-F308 CarbonylContact C-O 3.58Å; K295-F308 WeakPolarHBondContact CA-O 3.28Å; K295-A309 HydrophobicContact CG-CB 4.47Å
296P79.9Confident82.4Confident30 Ų3056.6 Ų56.620%0.19535%0.35CS..  trans-76.89.9-166.734.1-38.3000115.3E294 P298E294-P296 VanDerWaalsContact C-CD 3.46Å; E294-P296 HydrophobicContact CG-CB 4.49Å; E294-P296 HydrophobicContact CG-CG 4.35Å; E294-P296 WeakPolarHBondContact O-CD 3.31Å; E294-P296 WeakPolarHBondContact OE1-CB 3.19Å; E294-P296 WeakPolarHBondContact OE2-CD 3.39Å; E294-P296 WeakPolarHBondContact OE2-CG 3.18Å; P296-P298 VanDerWaalsContact C-CD 3.5Å; P296-P298 VanDerWaalsContact O-CD 3.28Å; P296-P298 WeakPolarHBondContact O-CD 3.25Å
297F83Confident82.8Confident60 Ų6057.5 Ų57.526%0.26336%0.357SS..EExtended strand (participates in β ladder)trans-113.983175.2-57.9-69.4000110.2K295 F308 S311 L314K295-F297 PolarHBondContact O-N 3.26Å; F297-F308 HydrophobicContact CB-CB 4.29Å; F297-F308 WeakPolarHBondContact CB-O 3.28Å; F297-F308 WeakPolarHBondContact CD2-O 3.37Å; F297-F308 PolarHBondContact N-O 3.47Å; F297-F308 PolarHBondContact O-N 3.11Å; F297-S311 VanDerWaalsContact CD2-N 3.26Å; F297-L314 HydrophobicContact CB-CB 4.13Å; F297-L314 HydrophobicContact CB-CD2 3.87Å
298P84.5Confident82.9Confident58 Ų5859 Ų5938%0.37736%0.363SS..EExtended strand (participates in β ladder)trans-67.3149.817428.5-35000112P296 V307 L314P296-P298 VanDerWaalsContact C-CD 3.5Å; P296-P298 VanDerWaalsContact O-CD 3.28Å; P296-P298 WeakPolarHBondContact O-CD 3.25Å; P298-V307 HydrophobicContact CB-CG1 4.1Å; P298-L314 WeakPolarHBondContact O-CD2 3.12Å
299C89.2Confident83.1Confident14 Ų1460.4 Ų60.410%0.09538%0.375CS..  trans-75.5124.3170.2-166.10000110.2F301 C304 K306 L314 H317 H321C299-F301 PolarHBondContact O-N 3.2Å; C299-C304 HydrophobicContact CB-CB 4.35Å; C299-K306 WeakPolarHBondContact CB-O 3.34Å; C299-K306 PolarHBondContact N-O 2.86Å; C299-L314 HydrophobicContact CB-CD1 4.16Å; C299-H317 PolarHBondContact SG-CD2 2.86Å; C299-H317 PolarHBondContact SG-NE2 3.09Å; C299-H321 PolarHBondContact SG-NE2 3.34Å
300P86.7Confident83.2Confident76 Ų7663.6 Ų63.649%0.49439%0.387SS..  trans-80.6-0.2-17934.7-37.6000113.6
301F85.8Confident83.3Confident70 Ų7061.9 Ų61.931%0.30738%0.38SS..SBendtrans-76.6123.8176.1-77.6-84.4000109.8C299 C304 K318 H321 T322C299-F301 PolarHBondContact O-N 3.2Å; F301-C304 HydrophobicContact CB-CB 4.11Å; F301-C304 WeakPolarHBondContact O-CB 3.38Å; F301-C304 PolarHBondContact O-N 3.27Å; F301-K318 HydrophobicContact CE2-CB 4.19Å; F301-K318 HydrophobicContact CE2-CG 4.07Å; F301-H321 HydrophobicContact CD1-CB 3.91Å; F301-H321 HydrophobicContact CD2-CB 3.87Å; F301-H321 AromaticContact CD2-CD2 3.38Å; F301-H321 WeakPolarHBondContact CD2-CD2 3.33Å; F301-H321 AromaticContact CD2-CG 3.62Å; F301-H321 HydrophobicContact CE1-CB 3.73Å; F301-H321 HydrophobicContact CE2-CB 3.68Å; F301-H321 AromaticContact CE2-CD2 3.86Å; F301-H321 AromaticContact CE2-CG 3.94Å; F301-H321 HydrophobicContact CG-CB 3.98Å; F301-H321 AromaticContact CG-CD2 3.78Å; F301-H321 AromaticContact CG-CG 3.66Å; F301-H321 HydrophobicContact CZ-CB 3.61Å; F301-T322 HydrophobicContact CZ-CG2 4.27Å
302P84.8Confident83.6Confident127 Ų12763.4 Ų63.483%0.82539%0.387SS*.THydrogen-bonded Turntrans-60.6148.1179.426.5-34.4000110.9C304P302-C304 PolarHBondContact O-N 3.25Å; P302-C304 VanDerWaalsContact O-N 3.09Å
303G84.7Confident84.1Confident93 Ų9365.3 Ų65.396%0.95940%0.397SS*.THydrogen-bonded Turntrans70.7-8.8-174.700000115.5
304C88.5Confident84.7Confident17 Ų1764.6 Ų64.612%0.11538%0.384CS..  trans-79-39.6-176.6-173.20000114.2C299 F301 P302 K306 H317 H321C299-C304 HydrophobicContact CB-CB 4.35Å; F301-C304 HydrophobicContact CB-CB 4.11Å; F301-C304 WeakPolarHBondContact O-CB 3.38Å; F301-C304 PolarHBondContact O-N 3.27Å; P302-C304 PolarHBondContact O-N 3.25Å; P302-C304 VanDerWaalsContact O-N 3.09Å; C304-K306 PolarHBondContact O-N 2.96Å; C304-H317 PolarHBondContact SG-NE2 2.84Å; C304-H321 WeakPolarHBondContact CB-CE1 3.45Å; C304-H321 PolarHBondContact SG-CE1 3.11Å; C304-H321 PolarHBondContact SG-NE2 3.36Å
305G84.3Confident85.4Confident71 Ų7168.6 Ų68.673%0.73240%0.401SS*.  trans63.4-1317900000118
306K85.4Confident85.8Confident112 Ų11265.5 Ų65.549%0.48739%0.389SS..  trans-72.9132.5-169.9-71171.6-173.3-177.60112.7C299 C304 F308C299-K306 WeakPolarHBondContact CB-O 3.34Å; C299-K306 PolarHBondContact N-O 2.86Å; C304-K306 PolarHBondContact O-N 2.96Å; K306-F308 HydrophobicContact CB-CE2 3.76Å; K306-F308 HydrophobicContact CB-CZ 3.93Å
307V87.1Confident86.3Confident74 Ų7464.9 Ų64.945%0.44838%0.384SS..EExtended strand (participates in β ladder)trans-118.5143-178.6-68.90000111.5K295 P298K295-V307 HydrophobicContact CB-CB 3.83Å; K295-V307 HydrophobicContact CB-CG2 3.77Å; K295-V307 HydrophobicContact CD-CG2 3.85Å; K295-V307 HydrophobicContact CG-CG2 4.39Å; P298-V307 HydrophobicContact CB-CG1 4.1Å
308F85Confident86.6Confident42 Ų4266.1 Ų66.118%0.18439%0.389CS..EExtended strand (participates in β ladder)trans-129.4141.7-172-60.5-92000112.9K295 F297 K306 R310 N313 L314 H317K295-F308 CarbonylContact C-O 3.58Å; K295-F308 WeakPolarHBondContact CA-O 3.28Å; F297-F308 HydrophobicContact CB-CB 4.29Å; F297-F308 WeakPolarHBondContact CB-O 3.28Å; F297-F308 WeakPolarHBondContact CD2-O 3.37Å; F297-F308 PolarHBondContact N-O 3.47Å; F297-F308 PolarHBondContact O-N 3.11Å; K306-F308 HydrophobicContact CB-CE2 3.76Å; K306-F308 HydrophobicContact CB-CZ 3.93Å; F308-R310 VanDerWaalsContact C-N 3.33Å; F308-N313 HydrophobicContact CB-CB 4.37Å; F308-N313 HydrophobicContact CD1-CB 3.85Å; F308-N313 HydrophobicContact CG-CB 4.4Å; F308-L314 HydrophobicContact CB-CB 4.34Å; F308-L314 HydrophobicContact CD2-CB 4.13Å; F308-L314 HydrophobicContact CD2-CD1 4.11Å; F308-L314 HydrophobicContact CE2-CD1 4.35Å; F308-L314 HydrophobicContact CG-CB 4.34Å; F308-H317 HydrophobicContact CE1-CB 4.03Å; F308-H317 HydrophobicContact CE2-CB 4.01Å; F308-H317 AromaticContact CE2-CD2 3.22Å; F308-H317 WeakPolarHBondContact CE2-CD2 3.37Å; F308-H317 AromaticContact CE2-CG 3.74Å; F308-H317 HydrophobicContact CZ-CB 3.55Å; F308-H317 AromaticContact CZ-CD2 3.31Å; F308-H317 WeakPolarHBondContact CZ-CD2 3.44Å; F308-H317 AromaticContact CZ-CG 3.36Å
309A82.5Confident86.9Confident30 Ų3065.1 Ų65.125%0.24838%0.377CS..SBendtrans-74.6-18.7175.300000114.2R289 E294 K295R289-A309 HydrophobicContact CB-CB 4.42Å; R289-A309 WeakPolarHBondContact CD-O 3.47Å; R289-A309 PolarHBondContact NH1-O 2.91Å; E294-A309 WeakPolarHBondContact O-CB 3.48Å; K295-A309 HydrophobicContact CG-CB 4.47Å
310R83.7Confident86.8Confident108 Ų10868.9 Ų68.941%0.40840%0.4SS..SBendtrans-133.7135-176.7-62.4-164.6-76.6922.2112.2N286 F308 E312 N313 L314N286-R310 WeakPolarHBondContact OD1-CG 3.37Å; F308-R310 VanDerWaalsContact C-N 3.33Å; R310-E312 VanDerWaalsContact C-N 3.34Å; R310-E312 PolarHBondContact O-N 3.29Å; R310-N313 PolarHBondContact NH1-OD1 3.01Å; R310-N313 PolarHBondContact NH2-ND2 3.04Å; R310-N313 PolarHBondContact NH2-OD1 2.77Å; R310-N313 WeakPolarHBondContact O-CB 3.49Å; R310-N313 PolarHBondContact O-N 2.76Å; R310-L314 PolarHBondContact O-N 3.24Å
311S83.6Confident86.9Confident71 Ų7169.3 Ų69.350%0.49740%0.395SS..Hα-helixtrans-61.1-37.4-178.150.80000113.4F297 N313 L314 K315F297-S311 VanDerWaalsContact CD2-N 3.26Å; S311-N313 VanDerWaalsContact C-N 3.29Å; S311-N313 PolarHBondContact O-N 3.31Å; S311-L314 WeakPolarHBondContact O-CB 3.31Å; S311-L314 PolarHBondContact O-N 3.28Å; S311-K315 PolarHBondContact O-N 3.42Å
312E86.3Confident87Confident88 Ų8869.6 Ų69.641%0.41140%0.403SS..Hα-helixtrans-65.6-32.2175.4-172.356.6-15100112.2R310 K315 I316R310-E312 VanDerWaalsContact C-N 3.34Å; R310-E312 PolarHBondContact O-N 3.29Å; E312-K315 PolarHBondContact O-N 2.67Å; E312-K315 WeakPolarHBondContact OE2-CD 3.45Å; E312-I316 HydrophobicContact CG-CD1 4.12Å; E312-I316 WeakPolarHBondContact O-CB 3.48Å; E312-I316 VanDerWaalsContact O-CG1 3.31Å; E312-I316 WeakPolarHBondContact O-CG1 3.48Å; E312-I316 PolarHBondContact O-N 3.49Å
313N88.6Confident87.1Confident55 Ų5565.8 Ų65.829%0.29439%0.387SS..Hα-helixtrans-68.3-40.1173.8-68.47.9000110.8F308 R310 S311 I316 H317F308-N313 HydrophobicContact CB-CB 4.37Å; F308-N313 HydrophobicContact CD1-CB 3.85Å; F308-N313 HydrophobicContact CG-CB 4.4Å; R310-N313 PolarHBondContact NH1-OD1 3.01Å; R310-N313 PolarHBondContact NH2-ND2 3.04Å; R310-N313 PolarHBondContact NH2-OD1 2.77Å; R310-N313 WeakPolarHBondContact O-CB 3.49Å; R310-N313 PolarHBondContact O-N 2.76Å; S311-N313 VanDerWaalsContact C-N 3.29Å; S311-N313 PolarHBondContact O-N 3.31Å; N313-I316 PolarHBondContact O-N 3.12Å; N313-H317 VanDerWaalsContact O-CB 3.31Å; N313-H317 WeakPolarHBondContact O-CB 3.39Å; N313-H317 PolarHBondContact O-N 2.93Å
314L89.7Confident87.3Confident21 Ų2166 Ų6611%0.1136%0.363CS..Hα-helixtrans-61.8-42.6171171.861000111.1F297 P298 C299 F308 R310 S311 I316 H317 K318F297-L314 HydrophobicContact CB-CB 4.13Å; F297-L314 HydrophobicContact CB-CD2 3.87Å; P298-L314 WeakPolarHBondContact O-CD2 3.12Å; C299-L314 HydrophobicContact CB-CD1 4.16Å; F308-L314 HydrophobicContact CB-CB 4.34Å; F308-L314 HydrophobicContact CD2-CB 4.13Å; F308-L314 HydrophobicContact CD2-CD1 4.11Å; F308-L314 HydrophobicContact CE2-CD1 4.35Å; F308-L314 HydrophobicContact CG-CB 4.34Å; R310-L314 PolarHBondContact O-N 3.24Å; S311-L314 WeakPolarHBondContact O-CB 3.31Å; S311-L314 PolarHBondContact O-N 3.28Å; L314-I316 PolarHBondContact O-N 2.85Å; L314-H317 CarbonylContact O-C 3.33Å; L314-H317 PolarHBondContact O-N 3.37Å; L314-H317 VanDerWaalsContact O-N 3.16Å; L314-K318 HydrophobicContact CD1-CG 4.18Å; L314-K318 WeakPolarHBondContact O-CG 3.47Å; L314-K318 PolarHBondContact O-N 3.2Å
315K88.9Confident87.3Confident118 Ų11870.7 Ų70.751%0.51338%0.381SS..Hα-helixtrans-61-44.9177.9-170.4-179.4-177.4179.70111.9S311 E312 H317 K318S311-K315 PolarHBondContact O-N 3.42Å; E312-K315 PolarHBondContact O-N 2.67Å; E312-K315 WeakPolarHBondContact OE2-CD 3.45Å; K315-H317 VanDerWaalsContact C-N 3.34Å; K315-K318 PolarHBondContact O-N 3.31Å
316I89.6Confident87.6Confident40 Ų4070.4 Ų70.421%0.20537%0.366CS..Hα-helixtrans-64-39.2173.4-68.9164.2000110.9E312 N313 L314 R319 N340E312-I316 HydrophobicContact CG-CD1 4.12Å; E312-I316 WeakPolarHBondContact O-CB 3.48Å; E312-I316 VanDerWaalsContact O-CG1 3.31Å; E312-I316 WeakPolarHBondContact O-CG1 3.48Å; E312-I316 PolarHBondContact O-N 3.49Å; N313-I316 PolarHBondContact O-N 3.12Å; L314-I316 PolarHBondContact O-N 2.85Å; I316-R319 WeakPolarHBondContact O-CB 3.35Å; I316-R319 PolarHBondContact O-N 2.71Å; I316-N340 HydrophobicContact CD1-CB 3.79Å; I316-N340 HydrophobicContact CG1-CB 3.98Å; I316-N340 HydrophobicContact CG2-CB 3.85Å
317H90.1Very high87.8Confident18 Ų1867.9 Ų67.98%0.08336%0.355CS..Hα-helixtrans-68.7-36.3177.2173.146.9000113.4C299 C304 F308 N313 L314 K315 R319 T320 H321C299-H317 PolarHBondContact SG-CD2 2.86Å; C299-H317 PolarHBondContact SG-NE2 3.09Å; C304-H317 PolarHBondContact SG-NE2 2.84Å; F308-H317 HydrophobicContact CE1-CB 4.03Å; F308-H317 HydrophobicContact CE2-CB 4.01Å; F308-H317 AromaticContact CE2-CD2 3.22Å; F308-H317 WeakPolarHBondContact CE2-CD2 3.37Å; F308-H317 AromaticContact CE2-CG 3.74Å; F308-H317 HydrophobicContact CZ-CB 3.55Å; F308-H317 AromaticContact CZ-CD2 3.31Å; F308-H317 WeakPolarHBondContact CZ-CD2 3.44Å; F308-H317 AromaticContact CZ-CG 3.36Å; N313-H317 VanDerWaalsContact O-CB 3.31Å; N313-H317 WeakPolarHBondContact O-CB 3.39Å; N313-H317 PolarHBondContact O-N 2.93Å; L314-H317 CarbonylContact O-C 3.33Å; L314-H317 PolarHBondContact O-N 3.37Å; L314-H317 VanDerWaalsContact O-N 3.16Å; K315-H317 VanDerWaalsContact C-N 3.34Å; H317-R319 PolarHBondContact O-N 3.12Å; H317-R319 VanDerWaalsContact O-N 3.11Å; H317-T320 PolarHBondContact CE1-OG1 2.99Å; H317-T320 PolarHBondContact ND1-OG1 3.06Å; H317-T320 PolarHBondContact O-N 3.38Å; H317-T320 PolarHBondContact O-OG1 3.45Å; H317-H321 AromaticContact CD2-NE2 3.32Å; H317-H321 PolarHBondContact CD2-NE2 3.07Å; H317-H321 VanDerWaalsContact CD2-NE2 3.32Å; H317-H321 AromaticContact CE1-CD2 3.78Å; H317-H321 AromaticContact CE1-NE2 2.51Å; H317-H321 PolarHBondContact CE1-NE2 3.2Å; H317-H321 AromaticContact ND1-NE2 3.6Å; H317-H321 AromaticContact NE2-CD2 3.84Å; H317-H321 AromaticContact NE2-NE2 2.23Å; H317-H321 PolarHBondContact NE2-NE2 2.88Å
318K89.3Confident88Confident85 Ų8568.8 Ų68.837%0.3735%0.354SS..Hα-helixtrans-54.8-33175-73.8-173.5-179.9-169.10112F301 L314 K315 T320 H321 T322F301-K318 HydrophobicContact CE2-CB 4.19Å; F301-K318 HydrophobicContact CE2-CG 4.07Å; L314-K318 HydrophobicContact CD1-CG 4.18Å; L314-K318 WeakPolarHBondContact O-CG 3.47Å; L314-K318 PolarHBondContact O-N 3.2Å; K315-K318 PolarHBondContact O-N 3.31Å; K318-T320 PolarHBondContact O-N 3Å; K318-H321 WeakPolarHBondContact O-CB 3.37Å; K318-H321 PolarHBondContact O-N 3.21Å; K318-T322 PolarHBondContact O-N 2.94Å
319R91.2Very high88.3Confident37 Ų3767.1 Ų67.114%0.1435%0.347CS..Hα-helixtrans-65.2-19.5173.8-60.7-172.3175.1126.74.2115.1I316 H317 T322 G323 E324 A339I316-R319 WeakPolarHBondContact O-CB 3.35Å; I316-R319 PolarHBondContact O-N 2.71Å; H317-R319 PolarHBondContact O-N 3.12Å; H317-R319 VanDerWaalsContact O-N 3.11Å; R319-T322 WeakPolarHBondContact CA-OG1 3.5Å; R319-G323 CarbonylContact O-C 3.3Å; R319-G323 WeakPolarHBondContact O-CA 3.27Å; R319-G323 PolarHBondContact O-N 3.44Å; R319-E324 HydrophobicContact CB-CB 3.85Å; R319-E324 WeakPolarHBondContact CB-O 3.28Å; R319-E324 HydrophobicContact CG-CB 3.73Å; R319-E324 IonicContact NE-OE2 2.71Å; R319-E324 PolarHBondContact NE-OE2 3.13Å; R319-E324 PolarHBondContact O-N 3.05Å; R319-A339 HydrophobicContact CB-CB 4.08Å; R319-A339 WeakPolarHBondContact CD-O 3.39Å; R319-A339 PolarHBondContact NH1-O 3.34Å
320T88.3Confident88.6Confident93 Ų9372.2 Ų72.257%0.57137%0.365SS*.Hα-helixtrans-76.7-14.5172.471.90000112.5H317 K318H317-T320 PolarHBondContact CE1-OG1 2.99Å; H317-T320 PolarHBondContact ND1-OG1 3.06Å; H317-T320 PolarHBondContact O-N 3.38Å; H317-T320 PolarHBondContact O-OG1 3.45Å; K318-T320 PolarHBondContact O-N 3Å
321H87.9Confident88.7Confident86 Ų8672.4 Ų72.440%0.39837%0.369SS..Hα-helixtrans-93.6-39.7172.1-62.9-75.9000111.9C299 F301 C304 H317 K318 G323C299-H321 PolarHBondContact SG-NE2 3.34Å; F301-H321 HydrophobicContact CD1-CB 3.91Å; F301-H321 HydrophobicContact CD2-CB 3.87Å; F301-H321 AromaticContact CD2-CD2 3.38Å; F301-H321 WeakPolarHBondContact CD2-CD2 3.33Å; F301-H321 AromaticContact CD2-CG 3.62Å; F301-H321 HydrophobicContact CE1-CB 3.73Å; F301-H321 HydrophobicContact CE2-CB 3.68Å; F301-H321 AromaticContact CE2-CD2 3.86Å; F301-H321 AromaticContact CE2-CG 3.94Å; F301-H321 HydrophobicContact CG-CB 3.98Å; F301-H321 AromaticContact CG-CD2 3.78Å; F301-H321 AromaticContact CG-CG 3.66Å; F301-H321 HydrophobicContact CZ-CB 3.61Å; C304-H321 WeakPolarHBondContact CB-CE1 3.45Å; C304-H321 PolarHBondContact SG-CE1 3.11Å; C304-H321 PolarHBondContact SG-NE2 3.36Å; H317-H321 AromaticContact CD2-NE2 3.32Å; H317-H321 PolarHBondContact CD2-NE2 3.07Å; H317-H321 VanDerWaalsContact CD2-NE2 3.32Å; H317-H321 AromaticContact CE1-CD2 3.78Å; H317-H321 AromaticContact CE1-NE2 2.51Å; H317-H321 PolarHBondContact CE1-NE2 3.2Å; H317-H321 AromaticContact ND1-NE2 3.6Å; H317-H321 AromaticContact NE2-CD2 3.84Å; H317-H321 AromaticContact NE2-NE2 2.23Å; H317-H321 PolarHBondContact NE2-NE2 2.88Å; K318-H321 WeakPolarHBondContact O-CB 3.37Å; K318-H321 PolarHBondContact O-N 3.21Å; H321-G323 VanDerWaalsContact C-N 3.35Å
322T87.6Confident88.7Confident76 Ų7676.2 Ų76.247%0.46638%0.384SS..Hα-helixtrans-82.9-8.4177.1610000114F301 K318 R319 E324F301-T322 HydrophobicContact CZ-CG2 4.27Å; K318-T322 PolarHBondContact O-N 2.94Å; R319-T322 WeakPolarHBondContact CA-OG1 3.5Å; T322-E324 WeakPolarHBondContact CB-OE1 3.36Å; T322-E324 PolarHBondContact O-N 3.13Å; T322-E324 VanDerWaalsContact OG1-CD 3.3Å; T322-E324 WeakPolarHBondContact OG1-CG 3.42Å; T322-E324 PolarHBondContact OG1-OE1 3.2Å
323G86.9Confident88.6Confident47 Ų4775.6 Ų75.649%0.48540%0.402SS..  trans74.5-1.7-176.300000115.1R319 H321 K325R319-G323 CarbonylContact O-C 3.3Å; R319-G323 WeakPolarHBondContact O-CA 3.27Å; R319-G323 PolarHBondContact O-N 3.44Å; H321-G323 VanDerWaalsContact C-N 3.35Å; G323-K325 PolarHBondContact O-N 2.77Å
324E89.2Confident88.6Confident96 Ų9673.8 Ų73.845%0.44939%0.393SS..  trans-54.3115.6-176.4-84169.3-114.200113.6R319 T322 P326R319-E324 HydrophobicContact CB-CB 3.85Å; R319-E324 WeakPolarHBondContact CB-O 3.28Å; R319-E324 HydrophobicContact CG-CB 3.73Å; R319-E324 IonicContact NE-OE2 2.71Å; R319-E324 PolarHBondContact NE-OE2 3.13Å; R319-E324 PolarHBondContact O-N 3.05Å; T322-E324 WeakPolarHBondContact CB-OE1 3.36Å; T322-E324 PolarHBondContact O-N 3.13Å; T322-E324 VanDerWaalsContact OG1-CD 3.3Å; T322-E324 WeakPolarHBondContact OG1-CG 3.42Å; T322-E324 PolarHBondContact OG1-OE1 3.2Å; E324-P326 VanDerWaalsContact C-CD 3.46Å; E324-P326 WeakPolarHBondContact O-CD 3.31Å
325K89.2Confident88.6Confident117 Ų11778.7 Ų78.751%0.50942%0.419SS..  trans-122.671.8174-68.2164.6-176.8172.20110.4G323 F327 R337 F338G323-K325 PolarHBondContact O-N 2.77Å; K325-F327 VanDerWaalsContact C-N 3.28Å; K325-F327 PolarHBondContact O-N 3.11Å; K325-R337 HydrophobicContact CB-CB 3.6Å; K325-R337 HydrophobicContact CD-CB 4.46Å; K325-R337 PolarHBondContact O-NE 3.47Å; K325-R337 PolarHBondContact O-NH2 3.15Å; K325-R337 VanDerWaalsContact O-NH2 3.11Å; K325-F338 CarbonylContact C-O 3.53Å; K325-F338 VanDerWaalsContact C-O 3.3Å; K325-F338 VanDerWaalsContact CA-O 3.28Å; K325-F338 WeakPolarHBondContact CA-O 3.41Å
326P88.8Confident88.6Confident65 Ų6580.6 Ų80.642%0.42242%0.424SS..  trans-66.4-26.6-174.424.6-32.8000113.4E324 K328E324-P326 VanDerWaalsContact C-CD 3.46Å; E324-P326 WeakPolarHBondContact O-CD 3.31Å; P326-K328 PolarHBondContact O-N 3.43Å
327F89.8Confident88.7Confident58 Ų5885.6 Ų85.625%0.25444%0.44SS..EExtended strand (participates in β ladder)trans-89.993.5-176.5-55.4-79.8000110.9K325 R337 F338 N340 R344K325-F327 VanDerWaalsContact C-N 3.28Å; K325-F327 PolarHBondContact O-N 3.11Å; F327-R337 CarbonylContact O-C 3.54Å; F327-R337 WeakPolarHBondContact O-CA 3.36Å; F327-F338 HydrophobicContact CB-CB 4.32Å; F327-F338 PolarHBondContact N-O 2.87Å; F327-F338 VanDerWaalsContact N-O 3.17Å; F327-F338 PolarHBondContact O-N 3.11Å; F327-N340 VanDerWaalsContact CD2-CA 3.46Å; F327-R344 HydrophobicContact CB-CB 4.35Å
328K91.1Very high88.7Confident94 Ų9486.3 Ų86.341%0.40944%0.443SS..EExtended strand (participates in β ladder)trans-67.4145.9165.4-163.2-167.1169.2171.80109.7P326 C334 D335 R337 R344P326-K328 PolarHBondContact O-N 3.43Å; K328-C334 WeakPolarHBondContact CE-O 3.4Å; K328-D335 WeakPolarHBondContact CE-OD1 3.46Å; K328-D335 IonicContact NZ-OD1 3.7Å; K328-D335 PolarHBondContact NZ-OD1 3.29Å; K328-R337 HydrophobicContact CB-CG 4.23Å; K328-R337 HydrophobicContact CG-CG 4.11Å; K328-R344 WeakPolarHBondContact O-CD 3.42Å; K328-R344 PolarHBondContact O-NH1 2.97Å
329C91.8Very high88.7Confident6 Ų683.3 Ų83.34%0.04143%0.433CS..  trans-48.7146.5157.7-173.30000111.2F331 C334 R336 M348C329-F331 PolarHBondContact SG-N 2.74Å; C329-F331 VanDerWaalsContact SG-N 3.38Å; C329-C334 HydrophobicContact CB-CB 4.25Å; C329-C334 WeakPolarHBondContact CB-O 3.5Å; C329-C334 VanDerWaalsContact SG-SG 3.64Å; C329-R336 WeakPolarHBondContact CB-O 3.45Å; C329-R336 PolarHBondContact N-O 2.83Å; C329-M348 HydrophobicContact CB-CE 4.09Å; C329-M348 WeakPolarHBondContact SG-CE 3.35Å
330E89Confident88.6Confident137 Ų13782.5 Ų82.564%0.6443%0.432SS*.  trans-104.8-4.3179.3-72.4158.6165.600112.3R344E330-R344 IonicContact OE1-CZ 3.95Å; E330-R344 IonicContact OE1-NH1 2.61Å; E330-R344 PolarHBondContact OE1-NH1 2.86Å; E330-R344 IonicContact OE1-NH2 2.67Å; E330-R344 PolarHBondContact OE1-NH2 2.7Å; E330-R344 IonicContact OE2-CZ 3.49Å; E330-R344 IonicContact OE2-NE 3.5Å; E330-R344 IonicContact OE2-NH1 3.94Å; E330-R344 PolarHBondContact OE2-NH1 2.9Å; E330-R344 IonicContact OE2-NH2 2.67Å; E330-R344 PolarHBondContact OE2-NH2 2.88Å
331F86.8Confident88.6Confident112 Ų11280.8 Ų80.849%0.49142%0.424SS..SBendtrans-80.7133.2172-172.9-93.7000110C329 C334 H351C329-F331 PolarHBondContact SG-N 2.74Å; C329-F331 VanDerWaalsContact SG-N 3.38Å; F331-C334 HydrophobicContact CB-CB 4.48Å; F331-C334 HydrophobicContact CD1-CB 4.23Å; F331-C334 WeakPolarHBondContact O-CB 3.39Å; F331-C334 PolarHBondContact O-N 2.67Å; F331-H351 HydrophobicContact CB-CB 4.4Å; F331-H351 HydrophobicContact CD1-CB 4.25Å; F331-H351 AromaticContact CD1-CE1 3.59Å; F331-H351 AromaticContact CD1-CG 3.66Å; F331-H351 AromaticContact CD1-ND1 3.29Å; F331-H351 VanDerWaalsContact CD1-ND1 3.29Å; F331-H351 WeakPolarHBondContact CD1-ND1 2.91Å; F331-H351 HydrophobicContact CD2-CB 3.66Å; F331-H351 AromaticContact CD2-CG 3.89Å; F331-H351 HydrophobicContact CE1-CB 4.47Å; F331-H351 AromaticContact CE1-ND1 3.61Å; F331-H351 HydrophobicContact CE2-CB 3.91Å; F331-H351 HydrophobicContact CG-CB 3.84Å; F331-H351 AromaticContact CG-CD2 3.82Å; F331-H351 AromaticContact CG-CG 3.51Å; F331-H351 AromaticContact CG-ND1 3.68Å; F331-H351 HydrophobicContact CZ-CB 4.31Å
332D83.6Confident88.7Confident151 Ų15180.1 Ų80.181%0.80743%0.429SS*.THydrogen-bonded Turntrans-67.9151.6-177.7-165.419.8000112.2C334D332-C334 PolarHBondContact O-N 2.84Å
333G83.8Confident88.7Confident76 Ų7679.2 Ų79.278%0.78442%0.421SS*.THydrogen-bonded Turntrans667.5-170.300000115.1
334C88.4Confident88.9Confident17 Ų1779.4 Ų79.412%0.11541%0.407CS..  trans-117.8101.5178.1-171.70000113K328 C329 F331 D332 R336 H347 H351K328-C334 WeakPolarHBondContact CE-O 3.4Å; C329-C334 HydrophobicContact CB-CB 4.25Å; C329-C334 WeakPolarHBondContact CB-O 3.5Å; C329-C334 VanDerWaalsContact SG-SG 3.64Å; F331-C334 HydrophobicContact CB-CB 4.48Å; F331-C334 HydrophobicContact CD1-CB 4.23Å; F331-C334 WeakPolarHBondContact O-CB 3.39Å; F331-C334 PolarHBondContact O-N 2.67Å; D332-C334 PolarHBondContact O-N 2.84Å; C334-R336 PolarHBondContact O-N 3.17Å; C334-H347 PolarHBondContact SG-NE2 3.1Å; C334-H351 VanDerWaalsContact SG-CE1 3.53Å; C334-H351 PolarHBondContact SG-NE2 2.94Å; C334-H351 VanDerWaalsContact SG-NE2 3.38Å
335D89.1Confident88.8Confident123 Ų12382 Ų8266%0.65842%0.417SS*.  trans-83.115.1178.6-74.4-59.9000115.5K328 R337K328-D335 WeakPolarHBondContact CE-OD1 3.46Å; K328-D335 IonicContact NZ-OD1 3.7Å; K328-D335 PolarHBondContact NZ-OD1 3.29Å; D335-R337 PolarHBondContact O-N 3.45Å
336R88.6Confident88.5Confident159 Ų15981.5 Ų81.560%0.642%0.415SS*.  trans-71.6120.9-174.8-152.9168.8-170.9149.52111.4C329 C334 F338 H347C329-R336 WeakPolarHBondContact CB-O 3.45Å; C329-R336 PolarHBondContact N-O 2.83Å; C334-R336 PolarHBondContact O-N 3.17Å; R336-F338 HydrophobicContact CB-CE2 4.02Å; R336-F338 HydrophobicContact CB-CZ 4.28Å; R336-F338 HydrophobicContact CG-CE2 3.92Å; R336-F338 HydrophobicContact CG-CZ 3.73Å; R336-F338 WeakPolarHBondContact O-CE2 3.47Å; R336-H347 WeakPolarHBondContact CD-NE2 3.26Å
337R92.3Very high88.5Confident144 Ų14479.2 Ų79.254%0.54340%0.399SS..EExtended strand (participates in β ladder)trans-111.4145.6-178.6-57.5178.966.4157.55.1112.8K325 F327 K328 D335K325-R337 HydrophobicContact CB-CB 3.6Å; K325-R337 HydrophobicContact CD-CB 4.46Å; K325-R337 PolarHBondContact O-NE 3.47Å; K325-R337 PolarHBondContact O-NH2 3.15Å; K325-R337 VanDerWaalsContact O-NH2 3.11Å; F327-R337 CarbonylContact O-C 3.54Å; F327-R337 WeakPolarHBondContact O-CA 3.36Å; K328-R337 HydrophobicContact CB-CG 4.23Å; K328-R337 HydrophobicContact CG-CG 4.11Å; D335-R337 PolarHBondContact O-N 3.45Å
338F89.6Confident88.2Confident34 Ų3478.3 Ų78.315%0.14940%0.396CS..EExtended strand (participates in β ladder)trans-127.4148.9-172.7-60.3-94.3000112.8K325 F327 R336 N340 D343 R344 H347K325-F338 CarbonylContact C-O 3.53Å; K325-F338 VanDerWaalsContact C-O 3.3Å; K325-F338 VanDerWaalsContact CA-O 3.28Å; K325-F338 WeakPolarHBondContact CA-O 3.41Å; F327-F338 HydrophobicContact CB-CB 4.32Å; F327-F338 PolarHBondContact N-O 2.87Å; F327-F338 VanDerWaalsContact N-O 3.17Å; F327-F338 PolarHBondContact O-N 3.11Å; R336-F338 HydrophobicContact CB-CE2 4.02Å; R336-F338 HydrophobicContact CB-CZ 4.28Å; R336-F338 HydrophobicContact CG-CE2 3.92Å; R336-F338 HydrophobicContact CG-CZ 3.73Å; R336-F338 WeakPolarHBondContact O-CE2 3.47Å; F338-N340 VanDerWaalsContact C-N 3.33Å; F338-N340 WeakPolarHBondContact CB-O 3.3Å; F338-D343 HydrophobicContact CD1-CB 4Å; F338-R344 HydrophobicContact CB-CB 4.23Å; F338-R344 HydrophobicContact CD2-CB 3.8Å; F338-R344 HydrophobicContact CD2-CG 4.03Å; F338-R344 HydrophobicContact CE2-CB 4.49Å; F338-R344 HydrophobicContact CE2-CG 4.44Å; F338-R344 HydrophobicContact CG-CB 4.04Å; F338-H347 HydrophobicContact CE1-CB 4.04Å; F338-H347 HydrophobicContact CE2-CB 4.14Å; F338-H347 AromaticContact CE2-CD2 3.41Å; F338-H347 VanDerWaalsContact CE2-CD2 3.41Å; F338-H347 WeakPolarHBondContact CE2-CD2 3.37Å; F338-H347 HydrophobicContact CZ-CB 3.51Å; F338-H347 AromaticContact CZ-CD2 3.27Å; F338-H347 WeakPolarHBondContact CZ-CD2 3.49Å; F338-H347 AromaticContact CZ-CG 3.48Å; F338-H347 VanDerWaalsContact CZ-CG 3.48Å
339A88.7Confident87.8Confident21 Ų2176.6 Ų76.617%0.17439%0.389CS..SBendtrans-77.8-15.8176.300000113.7R319R319-A339 HydrophobicContact CB-CB 4.08Å; R319-A339 WeakPolarHBondContact CD-O 3.39Å; R319-A339 PolarHBondContact NH1-O 3.34Å
340N90.5Very high87.3Confident20 Ų2080.9 Ų80.911%0.10742%0.415CS..SBendtrans-142.8155.4174.270.978.6000111.8I316 F327 F338 S342 D343 R344I316-N340 HydrophobicContact CD1-CB 3.79Å; I316-N340 HydrophobicContact CG1-CB 3.98Å; I316-N340 HydrophobicContact CG2-CB 3.85Å; F327-N340 VanDerWaalsContact CD2-CA 3.46Å; F338-N340 VanDerWaalsContact C-N 3.33Å; F338-N340 WeakPolarHBondContact CB-O 3.3Å; N340-S342 WeakPolarHBondContact OD1-CB 3.28Å; N340-S342 PolarHBondContact OD1-N 3.31Å; N340-S342 VanDerWaalsContact OD1-N 3.15Å; N340-D343 PolarHBondContact ND2-OD2 2.83Å; N340-D343 PolarHBondContact OD1-N 2.94Å; N340-D343 PolarHBondContact OD1-OD2 3.19Å; N340-R344 PolarHBondContact O-N 3.49Å
341S88.6Confident87Confident58 Ų5876.9 Ų76.941%0.40640%0.396SS..Hα-helixtrans-71.5-28.2-178.452.30000113.8R344 K345S341-R344 PolarHBondContact O-N 3.26Å; S341-K345 PolarHBondContact O-N 3.2Å
342S88.2Confident86.4Confident72 Ų7275.2 Ų75.250%0.50340%0.395SS..Hα-helixtrans-66.4-41.6179.5-55.70000112.1N340 K345 K346N340-S342 WeakPolarHBondContact OD1-CB 3.28Å; N340-S342 PolarHBondContact OD1-N 3.31Å; N340-S342 VanDerWaalsContact OD1-N 3.15Å; S342-K345 PolarHBondContact O-N 3.37Å; S342-K346 WeakPolarHBondContact O-CG 3.49Å; S342-K346 PolarHBondContact O-N 2.99Å
343D88.6Confident85.6Confident57 Ų5772.2 Ų72.231%0.30539%0.386SS..Hα-helixtrans-75-31.9178.2-66.1-24.8000111.9F338 N340 K346 H347F338-D343 HydrophobicContact CD1-CB 4Å; N340-D343 PolarHBondContact ND2-OD2 2.83Å; N340-D343 PolarHBondContact OD1-N 2.94Å; N340-D343 PolarHBondContact OD1-OD2 3.19Å; D343-K346 PolarHBondContact O-N 3.03Å; D343-K346 WeakPolarHBondContact OD1-CD 3.41Å; D343-K346 WeakPolarHBondContact OD1-CE 3.36Å; D343-K346 IonicContact OD1-NZ 2.71Å; D343-K346 PolarHBondContact OD1-NZ 3.32Å; D343-H347 WeakPolarHBondContact O-CB 3.27Å; D343-H347 PolarHBondContact O-N 3.47Å
344R90.7Very high84.9Confident51 Ų5173.4 Ų73.419%0.19238%0.375CS..Hα-helixtrans-57.6-51.6163.8-174-171.470.8171.814.6110.5F327 K328 E330 F338 N340 S341 K346 H347 M348F327-R344 HydrophobicContact CB-CB 4.35Å; K328-R344 WeakPolarHBondContact O-CD 3.42Å; K328-R344 PolarHBondContact O-NH1 2.97Å; E330-R344 IonicContact OE1-CZ 3.95Å; E330-R344 IonicContact OE1-NH1 2.61Å; E330-R344 PolarHBondContact OE1-NH1 2.86Å; E330-R344 IonicContact OE1-NH2 2.67Å; E330-R344 PolarHBondContact OE1-NH2 2.7Å; E330-R344 IonicContact OE2-CZ 3.49Å; E330-R344 IonicContact OE2-NE 3.5Å; E330-R344 IonicContact OE2-NH1 3.94Å; E330-R344 PolarHBondContact OE2-NH1 2.9Å; E330-R344 IonicContact OE2-NH2 2.67Å; E330-R344 PolarHBondContact OE2-NH2 2.88Å; F338-R344 HydrophobicContact CB-CB 4.23Å; F338-R344 HydrophobicContact CD2-CB 3.8Å; F338-R344 HydrophobicContact CD2-CG 4.03Å; F338-R344 HydrophobicContact CE2-CB 4.49Å; F338-R344 HydrophobicContact CE2-CG 4.44Å; F338-R344 HydrophobicContact CG-CB 4.04Å; N340-R344 PolarHBondContact O-N 3.49Å; S341-R344 PolarHBondContact O-N 3.26Å; R344-K346 VanDerWaalsContact C-N 3.3Å; R344-K346 PolarHBondContact O-N 3.26Å; R344-H347 WeakPolarHBondContact O-CA 3.47Å; R344-H347 WeakPolarHBondContact O-CB 3.41Å; R344-H347 PolarHBondContact O-N 2.84Å; R344-M348 HydrophobicContact CG-CE 3.98Å; R344-M348 HydrophobicContact CG-SD 4.32Å; R344-M348 WeakPolarHBondContact O-CE 3.47Å; R344-M348 WeakPolarHBondContact O-CG 3.47Å; R344-M348 PolarHBondContact O-N 3.43Å; R344-M348 VanDerWaalsContact O-N 3.14Å
345K87.2Confident84.1Confident151 Ų15178.2 Ų78.266%0.65739%0.393SS*.Hα-helixtrans-59.1-40.8-179.5-173.4164.4-177.6168.50111.8S341 S342 H347 M348 H349S341-K345 PolarHBondContact O-N 3.2Å; S342-K345 PolarHBondContact O-N 3.37Å; K345-H347 VanDerWaalsContact C-N 3.29Å; K345-H347 PolarHBondContact O-N 3.36Å; K345-M348 PolarHBondContact O-N 3Å; K345-H349 PolarHBondContact O-CD2 3.19Å; K345-H349 VanDerWaalsContact O-CD2 3.31Å
346K84Confident83.5Confident105 Ų10576.2 Ų76.246%0.45739%0.387SS..Hα-helixtrans-60-37172.9-68.5170.3-161.4164.10113.1S342 D343 R344 H368S342-K346 WeakPolarHBondContact O-CG 3.49Å; S342-K346 PolarHBondContact O-N 2.99Å; D343-K346 PolarHBondContact O-N 3.03Å; D343-K346 WeakPolarHBondContact OD1-CD 3.41Å; D343-K346 WeakPolarHBondContact OD1-CE 3.36Å; D343-K346 IonicContact OD1-NZ 2.71Å; D343-K346 PolarHBondContact OD1-NZ 3.32Å; R344-K346 VanDerWaalsContact C-N 3.3Å; R344-K346 PolarHBondContact O-N 3.26Å; K346-H368 PolarHBondContact O-NE2 3.5Å
347H87.1Confident83.2Confident17 Ų1772.9 Ų72.98%0.07938%0.375CS..Hα-helixtrans-69.5-29.3177.8173.341.7000113.2C334 R336 F338 D343 R344 K345 H349 V350 H351C334-H347 PolarHBondContact SG-NE2 3.1Å; R336-H347 WeakPolarHBondContact CD-NE2 3.26Å; F338-H347 HydrophobicContact CE1-CB 4.04Å; F338-H347 HydrophobicContact CE2-CB 4.14Å; F338-H347 AromaticContact CE2-CD2 3.41Å; F338-H347 VanDerWaalsContact CE2-CD2 3.41Å; F338-H347 WeakPolarHBondContact CE2-CD2 3.37Å; F338-H347 HydrophobicContact CZ-CB 3.51Å; F338-H347 AromaticContact CZ-CD2 3.27Å; F338-H347 WeakPolarHBondContact CZ-CD2 3.49Å; F338-H347 AromaticContact CZ-CG 3.48Å; F338-H347 VanDerWaalsContact CZ-CG 3.48Å; D343-H347 WeakPolarHBondContact O-CB 3.27Å; D343-H347 PolarHBondContact O-N 3.47Å; R344-H347 WeakPolarHBondContact O-CA 3.47Å; R344-H347 WeakPolarHBondContact O-CB 3.41Å; R344-H347 PolarHBondContact O-N 2.84Å; K345-H347 VanDerWaalsContact C-N 3.29Å; K345-H347 PolarHBondContact O-N 3.36Å; H347-H349 PolarHBondContact O-N 3Å; H347-H349 VanDerWaalsContact O-N 3.15Å; H347-V350 VanDerWaalsContact O-CB 3.23Å; H347-V350 WeakPolarHBondContact O-CB 3.41Å; H347-V350 WeakPolarHBondContact O-CG2 3.36Å; H347-V350 PolarHBondContact O-N 2.93Å; H347-H351 AromaticContact CE1-NE2 3.53Å; H347-H351 AromaticContact NE2-NE2 3.43Å; H347-H351 PolarHBondContact NE2-NE2 3.27Å
348M84.6Confident82.8Confident39 Ų3971.5 Ų71.519%0.19238%0.378CS..Hα-helixtrans-59.2-32.7-178.3-54.9-59.377.800112.2C329 R344 K345 V350 H351 T352C329-M348 HydrophobicContact CB-CE 4.09Å; C329-M348 WeakPolarHBondContact SG-CE 3.35Å; R344-M348 HydrophobicContact CG-CE 3.98Å; R344-M348 HydrophobicContact CG-SD 4.32Å; R344-M348 WeakPolarHBondContact O-CE 3.47Å; R344-M348 WeakPolarHBondContact O-CG 3.47Å; R344-M348 PolarHBondContact O-N 3.43Å; R344-M348 VanDerWaalsContact O-N 3.14Å; K345-M348 PolarHBondContact O-N 3Å; M348-V350 PolarHBondContact O-N 2.98Å; M348-H351 WeakPolarHBondContact O-CB 3.46Å; M348-H351 PolarHBondContact O-N 3.47Å; M348-T352 PolarHBondContact O-N 3.39Å; M348-T352 PolarHBondContact O-OG1 3Å; M348-T352 VanDerWaalsContact O-OG1 3.14Å
349H82.5Confident82.7Confident59 Ų5970.4 Ų70.427%0.27338%0.375SS..Hα-helixtrans-61.6-11.4173.4-59.2-88.4000114.7K345 H347 H368K345-H349 PolarHBondContact O-CD2 3.19Å; K345-H349 VanDerWaalsContact O-CD2 3.31Å; H347-H349 PolarHBondContact O-N 3Å; H347-H349 VanDerWaalsContact O-N 3.15Å; H349-H368 AromaticContact CD2-CE1 3.58Å; H349-H368 AromaticContact CD2-NE2 3.82Å
350V82.1Confident82.5Confident96 Ų9679.1 Ų79.158%0.58241%0.408SS*.Hα-helixtrans-74.5-33.6169.9-179.30000110.8H347 M348H347-V350 VanDerWaalsContact O-CB 3.23Å; H347-V350 WeakPolarHBondContact O-CB 3.41Å; H347-V350 WeakPolarHBondContact O-CG2 3.36Å; H347-V350 PolarHBondContact O-N 2.93Å; M348-V350 PolarHBondContact O-N 2.98Å
351H81.4Confident82.1Confident52 Ų5283.2 Ų83.224%0.24143%0.428CS..Hα-helixtrans-82.3-38.5178.1-59.2-64.9000111.8F331 C334 H347 M348 S353F331-H351 HydrophobicContact CB-CB 4.4Å; F331-H351 HydrophobicContact CD1-CB 4.25Å; F331-H351 AromaticContact CD1-CE1 3.59Å; F331-H351 AromaticContact CD1-CG 3.66Å; F331-H351 AromaticContact CD1-ND1 3.29Å; F331-H351 VanDerWaalsContact CD1-ND1 3.29Å; F331-H351 WeakPolarHBondContact CD1-ND1 2.91Å; F331-H351 HydrophobicContact CD2-CB 3.66Å; F331-H351 AromaticContact CD2-CG 3.89Å; F331-H351 HydrophobicContact CE1-CB 4.47Å; F331-H351 AromaticContact CE1-ND1 3.61Å; F331-H351 HydrophobicContact CE2-CB 3.91Å; F331-H351 HydrophobicContact CG-CB 3.84Å; F331-H351 AromaticContact CG-CD2 3.82Å; F331-H351 AromaticContact CG-CG 3.51Å; F331-H351 AromaticContact CG-ND1 3.68Å; F331-H351 HydrophobicContact CZ-CB 4.31Å; C334-H351 VanDerWaalsContact SG-CE1 3.53Å; C334-H351 PolarHBondContact SG-NE2 2.94Å; C334-H351 VanDerWaalsContact SG-NE2 3.38Å; H347-H351 AromaticContact CE1-NE2 3.53Å; H347-H351 AromaticContact NE2-NE2 3.43Å; H347-H351 PolarHBondContact NE2-NE2 3.27Å; M348-H351 WeakPolarHBondContact O-CB 3.46Å; M348-H351 PolarHBondContact O-N 3.47Å; H351-S353 PolarHBondContact O-N 3.43Å
352T74.3Confident82.1Confident77 Ų7782.1 Ų82.147%0.47242%0.42SS..Hα-helixtrans-66.4-21.2-179-34.20000113.4M348 D354M348-T352 PolarHBondContact O-N 3.39Å; M348-T352 PolarHBondContact O-OG1 3Å; M348-T352 VanDerWaalsContact O-OG1 3.14Å; T352-D354 HydrophobicContact CG2-CB 4.24Å; T352-D354 VanDerWaalsContact CG2-OD2 3.3Å; T352-D354 WeakPolarHBondContact CG2-OD2 3.4Å; T352-D354 PolarHBondContact O-N 3.24Å
353S67.4Low81.8Confident88 Ų8886.1 Ų86.162%0.61544%0.436SS*.  trans59.4-15.4-174.5-61.50000117H351 K355H351-S353 PolarHBondContact O-N 3.43Å; S353-K355 PolarHBondContact O-N 3.32Å
354D68.9Low81.5Confident102 Ų10289.1 Ų89.155%0.54545%0.446SS..  trans-52.8123.3175.6-77.4-27000113.2T352 P356T352-D354 HydrophobicContact CG2-CB 4.24Å; T352-D354 VanDerWaalsContact CG2-OD2 3.3Å; T352-D354 WeakPolarHBondContact CG2-OD2 3.4Å; T352-D354 PolarHBondContact O-N 3.24Å; D354-P356 VanDerWaalsContact O-CD 3.23Å; D354-P356 WeakPolarHBondContact O-CD 3.47Å
355K72.7Confident81.1Confident118 Ų11888.8 Ų88.851%0.51345%0.452SS..  trans-116.163.8175.7-65.2169-172.5173.60111S353 Y357 S365 Y366 T367S353-K355 PolarHBondContact O-N 3.32Å; K355-Y357 PolarHBondContact O-N 3.31Å; K355-Y357 VanDerWaalsContact O-N 3.08Å; K355-S365 VanDerWaalsContact CD-OG 3.25Å; K355-S365 WeakPolarHBondContact CD-OG 3.4Å; K355-Y366 CarbonylContact C-O 3.18Å; K355-Y366 VanDerWaalsContact C-O 3.27Å; K355-Y366 VanDerWaalsContact CA-O 3.29Å; K355-Y366 WeakPolarHBondContact CA-O 3.44Å; K355-T367 HydrophobicContact CG-CG2 3.79Å
356P76.6Confident80.8Confident81 Ų8184.1 Ų84.153%0.52643%0.43SS..  trans-69.8-8.1-171.931-37000113.7D354 L358D354-P356 VanDerWaalsContact O-CD 3.23Å; D354-P356 WeakPolarHBondContact O-CD 3.47Å; P356-L358 PolarHBondContact O-N 3.28Å
357Y80.9Confident80.6Confident89 Ų8981 Ų8135%0.34942%0.421SS..EExtended strand (participates in β ladder)trans-99.280.3-179.4-51.5-64.6000110.4K355 Y366 H368 P369K355-Y357 PolarHBondContact O-N 3.31Å; K355-Y357 VanDerWaalsContact O-N 3.08Å; Y357-Y366 WeakPolarHBondContact CB-O 3.09Å; Y357-Y366 WeakPolarHBondContact CD2-O 3.32Å; Y357-Y366 PolarHBondContact N-O 3.19Å; Y357-Y366 PolarHBondContact O-N 2.67Å; Y357-H368 VanDerWaalsContact CD2-C 3.5Å; Y357-P369 HydrophobicContact CD1-CB 4.48Å; Y357-P369 HydrophobicContact CD1-CG 4.15Å; Y357-P369 HydrophobicContact CD2-CG 4.16Å; Y357-P369 HydrophobicContact CE1-CG 3.77Å; Y357-P369 VanDerWaalsContact CE2-CD 3.45Å; Y357-P369 HydrophobicContact CE2-CG 3.76Å; Y357-P369 HydrophobicContact CG-CG 4.33Å
358L85.3Confident80.3Confident114 Ų11482.1 Ų82.160%0.59743%0.426SS*.EExtended strand (participates in β ladder)trans-68.4140.1172.4-72.7156.3000111.3P356 L372P356-L358 PolarHBondContact O-N 3.28Å; L358-L372 WeakPolarHBondContact O-CD2 3.46Å
359C87.3Confident80.1Confident12 Ų1282.9 Ų82.98%0.08143%0.433CS..  trans-73.4150.4162.2-1720000110.2C362 K364 L372 H375C359-C362 WeakPolarHBondContact CB-O 3.3Å; C359-K364 WeakPolarHBondContact CB-O 3.5Å; C359-K364 PolarHBondContact N-O 3.24Å; C359-L372 HydrophobicContact CB-CD1 3.79Å; C359-H375 PolarHBondContact SG-NE2 3.15Å
360K83.9Confident80.2Confident203 Ų20383.3 Ų83.388%0.88344%0.443SS*.SBendtrans-95-7.7178.3-66.7-167.4175.8-168.40113.6
361M81.7Confident80.4Confident106 Ų10680.9 Ų80.952%0.52243%0.431SS..SBendtrans-123.85-174.8-50.4-145.4-53.500113.4H379M361-H379 HydrophobicContact CE-CB 3.52Å; M361-H379 PolarHBondContact O-CE1 3.38Å; M361-H379 VanDerWaalsContact O-CE1 3.29Å
362C88.4Confident80.7Confident35 Ų3579.9 Ų79.924%0.23643%0.427CS..SBendtrans-166.2166.2158.563.50000109.1C359 K364 H375 H379C359-C362 WeakPolarHBondContact CB-O 3.3Å; C362-K364 PolarHBondContact O-N 2.88Å; C362-H375 PolarHBondContact SG-NE2 3.06Å; C362-H375 VanDerWaalsContact SG-NE2 3.39Å; C362-H379 PolarHBondContact SG-NE2 2.87Å
363D81.4Confident81.3Confident157 Ų15784.5 Ų84.584%0.8444%0.435SS*.SBendtrans-74.419.6-172.4-46.2-74.4000115S365D363-S365 PolarHBondContact O-N 2.9Å
364K82.5Confident82.2Confident119 Ų11988.1 Ų88.152%0.51744%0.44SS..  trans-80116.7-177.6-67.5177.7-172.4166.60110.6C359 C362 Y366C359-K364 WeakPolarHBondContact CB-O 3.5Å; C359-K364 PolarHBondContact N-O 3.24Å; C362-K364 PolarHBondContact O-N 2.88Å; K364-Y366 HydrophobicContact CB-CE2 3.75Å; K364-Y366 VanDerWaalsContact O-CE2 3.32Å; K364-Y366 WeakPolarHBondContact O-CE2 3.46Å
365S82.6Confident83.1Confident45 Ų4584.1 Ų84.132%0.31542%0.418SS..EExtended strand (participates in β ladder)trans-102.2142.6178.460.40000112.3K355 D363K355-S365 VanDerWaalsContact CD-OG 3.25Å; K355-S365 WeakPolarHBondContact CD-OG 3.4Å; D363-S365 PolarHBondContact O-N 2.9Å
366Y81.1Confident83.7Confident52 Ų5280.8 Ų80.820%0.20441%0.405CS..EExtended strand (participates in β ladder)trans-126.3145.4-174-63.7-88000112.4K355 Y357 K364 H368 L372 H375K355-Y366 CarbonylContact C-O 3.18Å; K355-Y366 VanDerWaalsContact C-O 3.27Å; K355-Y366 VanDerWaalsContact CA-O 3.29Å; K355-Y366 WeakPolarHBondContact CA-O 3.44Å; Y357-Y366 WeakPolarHBondContact CB-O 3.09Å; Y357-Y366 WeakPolarHBondContact CD2-O 3.32Å; Y357-Y366 PolarHBondContact N-O 3.19Å; Y357-Y366 PolarHBondContact O-N 2.67Å; K364-Y366 HydrophobicContact CB-CE2 3.75Å; K364-Y366 VanDerWaalsContact O-CE2 3.32Å; K364-Y366 WeakPolarHBondContact O-CE2 3.46Å; Y366-H368 VanDerWaalsContact C-N 3.33Å; Y366-L372 HydrophobicContact CD2-CB 4.03Å; Y366-L372 HydrophobicContact CD2-CD1 4Å; Y366-L372 HydrophobicContact CE2-CD1 4.28Å; Y366-L372 HydrophobicContact CG-CB 4.24Å; Y366-H375 HydrophobicContact CE1-CB 4.25Å; Y366-H375 HydrophobicContact CE2-CB 4.07Å; Y366-H375 AromaticContact CE2-CD2 3.3Å; Y366-H375 WeakPolarHBondContact CE2-CD2 3.27Å; Y366-H375 AromaticContact CE2-CG 3.88Å; Y366-H375 AromaticContact CZ-CD2 3.54Å; Y366-H375 AromaticContact CZ-CG 3.64Å; Y366-H375 WeakPolarHBondContact OH-CB 3.43Å; Y366-H375 PolarHBondContact OH-CD2 3.05Å
367T80.4Confident84.2Confident41 Ų4183.5 Ų83.525%0.25241%0.409SS..SBendtrans-78-14.6174.653.90000113.6K355K355-T367 HydrophobicContact CG-CG2 3.79Å
368H79.6Confident84.5Confident39 Ų3983.6 Ų83.618%0.18142%0.418CS..SBendtrans-138.1139.8-176.8-78.1-77.3000112.9K346 H349 Y357 Y366 S370 S371 L372K346-H368 PolarHBondContact O-NE2 3.5Å; H349-H368 AromaticContact CD2-CE1 3.58Å; H349-H368 AromaticContact CD2-NE2 3.82Å; Y357-H368 VanDerWaalsContact CD2-C 3.5Å; Y366-H368 VanDerWaalsContact C-N 3.33Å; H368-S370 PolarHBondContact O-N 2.71Å; H368-S371 WeakPolarHBondContact O-CB 3.42Å; H368-S371 PolarHBondContact O-N 2.71Å; H368-S371 VanDerWaalsContact O-N 3.1Å; H368-L372 PolarHBondContact O-N 3.27Å
369P80.6Confident84.4Confident55 Ų5579.9 Ų79.936%0.35740%0.398SS..Hα-helixtrans-64.7-28.9179.3-16.327.6000113.3Y357 R373Y357-P369 HydrophobicContact CD1-CB 4.48Å; Y357-P369 HydrophobicContact CD1-CG 4.15Å; Y357-P369 HydrophobicContact CD2-CG 4.16Å; Y357-P369 HydrophobicContact CE1-CG 3.77Å; Y357-P369 VanDerWaalsContact CE2-CD 3.45Å; Y357-P369 HydrophobicContact CE2-CG 3.76Å; Y357-P369 HydrophobicContact CG-CG 4.33Å; P369-R373 WeakPolarHBondContact O-CB 3.33Å; P369-R373 PolarHBondContact O-N 3.34Å
370S84.9Confident84Confident68 Ų6884.4 Ų84.448%0.47642%0.418SS..Hα-helixtrans-68.7-33.8175.747.50000112.3H368 K374H368-S370 PolarHBondContact O-N 2.71Å; S370-K374 WeakPolarHBondContact O-CG 3.23Å; S370-K374 PolarHBondContact O-N 3.17Å
371S85.7Confident83.4Confident46 Ų4678.5 Ų78.532%0.32241%0.407SS..Hα-helixtrans-70.6-44.8174.9-56.70000110.9H368 R373 K374 H375H368-S371 WeakPolarHBondContact O-CB 3.42Å; H368-S371 PolarHBondContact O-N 2.71Å; H368-S371 VanDerWaalsContact O-N 3.1Å; S371-R373 PolarHBondContact O-N 2.71Å; S371-K374 PolarHBondContact O-N 3.39Å; S371-H375 PolarHBondContact O-N 3.34Å
372L87.8Confident82.4Confident31 Ų3178.4 Ų78.416%0.16241%0.412CS..Hα-helixtrans-57.4-47.8171.4173.658.4000111.1L358 C359 Y366 H368 K374 H375 M376L358-L372 WeakPolarHBondContact O-CD2 3.46Å; C359-L372 HydrophobicContact CB-CD1 3.79Å; Y366-L372 HydrophobicContact CD2-CB 4.03Å; Y366-L372 HydrophobicContact CD2-CD1 4Å; Y366-L372 HydrophobicContact CE2-CD1 4.28Å; Y366-L372 HydrophobicContact CG-CB 4.24Å; H368-L372 PolarHBondContact O-N 3.27Å; L372-K374 VanDerWaalsContact C-N 3.33Å; L372-K374 PolarHBondContact O-N 3.39Å; L372-H375 CarbonylContact O-C 3.27Å; L372-H375 WeakPolarHBondContact O-CA 3.48Å; L372-H375 WeakPolarHBondContact O-CB 3.42Å; L372-H375 PolarHBondContact O-N 3.29Å; L372-M376 HydrophobicContact CD1-CG 4.18Å; L372-M376 HydrophobicContact CD1-SD 4.15Å; L372-M376 HydrophobicContact CG-CG 4.45Å; L372-M376 WeakPolarHBondContact O-CG 3.39Å; L372-M376 PolarHBondContact O-N 3.2Å
373R87.3Confident81Confident173 Ų17381.7 Ų81.765%0.65343%0.432SS*.Hα-helixtrans-61.8-37178.1-169.9-179.6-61.2134.65.3113.2P369 S371 H375P369-R373 WeakPolarHBondContact O-CB 3.33Å; P369-R373 PolarHBondContact O-N 3.34Å; S371-R373 PolarHBondContact O-N 2.71Å; R373-H375 VanDerWaalsContact C-N 3.31Å
374K86.9Confident79.6Confident165 Ų16583 Ų8372%0.71743%0.432SS*.Hα-helixtrans-64.5-36.9172.3-78.8-175174.9-165.20112S370 S371 L372S370-K374 WeakPolarHBondContact O-CG 3.23Å; S370-K374 PolarHBondContact O-N 3.17Å; S371-K374 PolarHBondContact O-N 3.39Å; L372-K374 VanDerWaalsContact C-N 3.33Å; L372-K374 PolarHBondContact O-N 3.39Å
375H88Confident77.4Confident17 Ų1780 Ų808%0.07944%0.436CS..Hα-helixtrans-72.6-37.8177166.247.2000113.1C359 C362 Y366 S371 L372 R373 K377 V378 H379C359-H375 PolarHBondContact SG-NE2 3.15Å; C362-H375 PolarHBondContact SG-NE2 3.06Å; C362-H375 VanDerWaalsContact SG-NE2 3.39Å; Y366-H375 HydrophobicContact CE1-CB 4.25Å; Y366-H375 HydrophobicContact CE2-CB 4.07Å; Y366-H375 AromaticContact CE2-CD2 3.3Å; Y366-H375 WeakPolarHBondContact CE2-CD2 3.27Å; Y366-H375 AromaticContact CE2-CG 3.88Å; Y366-H375 AromaticContact CZ-CD2 3.54Å; Y366-H375 AromaticContact CZ-CG 3.64Å; Y366-H375 WeakPolarHBondContact OH-CB 3.43Å; Y366-H375 PolarHBondContact OH-CD2 3.05Å; S371-H375 PolarHBondContact O-N 3.34Å; L372-H375 CarbonylContact O-C 3.27Å; L372-H375 WeakPolarHBondContact O-CA 3.48Å; L372-H375 WeakPolarHBondContact O-CB 3.42Å; L372-H375 PolarHBondContact O-N 3.29Å; R373-H375 VanDerWaalsContact C-N 3.31Å; H375-K377 PolarHBondContact O-N 3.2Å; H375-V378 VanDerWaalsContact O-CB 3.28Å; H375-V378 WeakPolarHBondContact O-CB 3.29Å; H375-V378 PolarHBondContact O-N 3.2Å; H375-H379 AromaticContact CE1-CD2 3.39Å; H375-H379 PolarHBondContact CE1-CD2 3.38Å; H375-H379 AromaticContact CE1-NE2 3.17Å; H375-H379 PolarHBondContact CE1-NE2 2.87Å; H375-H379 AromaticContact NE2-CD2 3.64Å; H375-H379 AromaticContact NE2-NE2 3.34Å; H375-H379 PolarHBondContact NE2-NE2 3.14Å
376M85.6Confident75.5Confident48 Ų4884.1 Ų84.124%0.23646%0.461CS..Hα-helixtrans-54.9-36.5175.1-70-54.9-54.400111.9L372 V378 H379 E380L372-M376 HydrophobicContact CD1-CG 4.18Å; L372-M376 HydrophobicContact CD1-SD 4.15Å; L372-M376 HydrophobicContact CG-CG 4.45Å; L372-M376 WeakPolarHBondContact O-CG 3.39Å; L372-M376 PolarHBondContact O-N 3.2Å; M376-V378 PolarHBondContact O-N 2.9Å; M376-H379 CarbonylContact O-C 3.57Å; M376-H379 WeakPolarHBondContact O-CA 3.41Å; M376-H379 WeakPolarHBondContact O-CB 3.36Å; M376-H379 PolarHBondContact O-N 3.32Å; M376-E380 WeakPolarHBondContact O-CG 3.37Å; M376-E380 PolarHBondContact O-N 3.4Å
377K87.1Confident73.5Confident139 Ų13989.9 Ų89.960%0.60449%0.49SS*.Hα-helixtrans-57.5-29.3172.9-66-159165.9-150.80114.8H375 E380 A381H375-K377 PolarHBondContact O-N 3.2Å; K377-E380 WeakPolarHBondContact CA-OE2 3.25Å; K377-A381 VanDerWaalsContact O-CB 3.3Å; K377-A381 WeakPolarHBondContact O-CB 3.29Å; K377-A381 PolarHBondContact O-N 2.92Å
378V86.3Confident71.6Confident91 Ų9193.5 Ų93.555%0.55251%0.514SS*.Hα-helixtrans-69.8-40175.8-174.20000109.8H375 M376 T382H375-V378 VanDerWaalsContact O-CB 3.28Å; H375-V378 WeakPolarHBondContact O-CB 3.29Å; H375-V378 PolarHBondContact O-N 3.2Å; M376-V378 PolarHBondContact O-N 2.9Å; V378-T382 PolarHBondContact O-N 2.88Å; V378-T382 PolarHBondContact O-OG1 3.14Å
379H84.3Confident69.4Low35 Ų3596.9 Ų96.916%0.16254%0.542CS..Hα-helixtrans-67.6-46.8172-73.7-77.1000111.5M361 C362 H375 M376 A381 T382 T383M361-H379 HydrophobicContact CE-CB 3.52Å; M361-H379 PolarHBondContact O-CE1 3.38Å; M361-H379 VanDerWaalsContact O-CE1 3.29Å; C362-H379 PolarHBondContact SG-NE2 2.87Å; H375-H379 AromaticContact CE1-CD2 3.39Å; H375-H379 PolarHBondContact CE1-CD2 3.38Å; H375-H379 AromaticContact CE1-NE2 3.17Å; H375-H379 PolarHBondContact CE1-NE2 2.87Å; H375-H379 AromaticContact NE2-CD2 3.64Å; H375-H379 AromaticContact NE2-NE2 3.34Å; H375-H379 PolarHBondContact NE2-NE2 3.14Å; M376-H379 CarbonylContact O-C 3.57Å; M376-H379 WeakPolarHBondContact O-CA 3.41Å; M376-H379 WeakPolarHBondContact O-CB 3.36Å; M376-H379 PolarHBondContact O-N 3.32Å; H379-A381 VanDerWaalsContact C-N 3.26Å; H379-A381 PolarHBondContact O-N 3.18Å; H379-T382 CarbonylContact O-C 3.6Å; H379-T382 WeakPolarHBondContact O-CA 3.3Å; H379-T382 WeakPolarHBondContact O-CB 3.23Å; H379-T382 PolarHBondContact O-N 3.08Å; H379-T383 PolarHBondContact O-N 2.81Å; H379-T383 PolarHBondContact O-OG1 3.18Å
380E78.1Confident67.7Low107 Ų107100.3 Ų100.350%0.557%0.565SS.*Hα-helixtrans-54.5-40.5177-66.9156.4-15700112.2M376 K377 T382M376-E380 WeakPolarHBondContact O-CG 3.37Å; M376-E380 PolarHBondContact O-N 3.4Å; K377-E380 WeakPolarHBondContact CA-OE2 3.25Å; E380-T382 VanDerWaalsContact C-N 3.3Å; E380-T382 PolarHBondContact O-N 3.43Å
381A72.3Confident65.5Low80 Ų80102.1 Ų102.166%0.66158%0.584SS**Hα-helixtrans-73.2-16.7173.800000114.3K377 H379K377-A381 VanDerWaalsContact O-CB 3.3Å; K377-A381 WeakPolarHBondContact O-CB 3.29Å; K377-A381 PolarHBondContact O-N 2.92Å; H379-A381 VanDerWaalsContact C-N 3.26Å; H379-A381 PolarHBondContact O-N 3.18Å
382T60.8Low62.8Low103 Ų103105 Ų10563%0.63261%0.61SS**Hα-helixtrans-89.9-28.2175.2-50.90000111.7V378 H379 E380 Q384V378-T382 PolarHBondContact O-N 2.88Å; V378-T382 PolarHBondContact O-OG1 3.14Å; H379-T382 CarbonylContact O-C 3.6Å; H379-T382 WeakPolarHBondContact O-CA 3.3Å; H379-T382 WeakPolarHBondContact O-CB 3.23Å; H379-T382 PolarHBondContact O-N 3.08Å; E380-T382 VanDerWaalsContact C-N 3.3Å; E380-T382 PolarHBondContact O-N 3.43Å; T382-Q384 PolarHBondContact O-N 3.34Å
383T58.4Low60.2Low105 Ų105109.1 Ų109.164%0.64464%0.642SS**SBendtrans-76.6-4-179.7-270000114.1H379H379-T383 PolarHBondContact O-N 2.81Å; H379-T383 PolarHBondContact O-OG1 3.18Å
384Q51.2Low57.6Low183 Ų183106.8 Ų106.886%0.85565%0.652SS**SBendtrans-106.369.2178.7-67.3-153.3-9.400113T382T382-Q384 PolarHBondContact O-N 3.34Å
385G37Very low54.9Low57 Ų57101.5 Ų101.559%0.58864%0.644SS**  trans158.1145162.200000113.2
386P43.3Very low52.3Low131 Ų131111.6 Ų111.685%0.85168%0.683SS**PPolyproline II helixcis-90.4166.1-2-1.622.5000113.6
387Q38.6Very low49.7Very low173 Ų173118.3 Ų118.381%0.80871%0.714SS**PPolyproline II helixtrans-76.3147.2162.4-77.9-84.2-84.500110.8S389Q387-S389 PolarHBondContact O-N 3.25Å
388P40.3Very low47.2Very low117 Ų117116.9 Ų116.976%0.7672%0.722SS**PPolyproline II helixtrans-73.9116.1168.730.5-32000110.2
389S33.7Very low44.6Very low110 Ų110118 Ų11877%0.76973%0.734SS**PPolyproline II helixtrans-79.2143.1168-63.90000110.2Q387Q387-S389 PolarHBondContact O-N 3.25Å
390P45Very low42.2Very low127 Ų127122.8 Ų122.883%0.82577%0.765SS**PPolyproline II helixtrans-71.8154.6-177.630.3-35.6000112.3
391A38.3Very low41.4Very low107 Ų107123 Ų12388%0.88478%0.776SS**PPolyproline II helixtrans-75.8147.9-17800000113.5
392A29.8Very low40.1Very low106 Ų106125.2 Ų125.288%0.87678%0.784SS**  trans-128.3155.2159.100000108.7
393S32.6Very low38.7Very low118 Ų118126.6 Ų126.683%0.82579%0.792SS**  trans-112179.3-158.8-167.40000114.5
394S33.1Very low37.4Very low123 Ų123129 Ų12986%0.8680%0.8SS**  trans77.9136.8177.174.60000116.9
395G30Very low36.5Very low54 Ų54126 Ų12656%0.55779%0.793SS**  cis175.2175.2-7.100000112.6
396Y31.9Very low36.3Very low229 Ų229128.6 Ų128.690%0.89880%0.803SS**  trans57.5155.2171.194.5-91.6000117.3
397E32.7Very low36.4Very low189 Ų189127.6 Ų127.688%0.88380%0.796SS**  cis-148.8-173.2-31.6-130.7-178.6141.600109.6
398S32.7Very low35.9Very low109 Ų109124.7 Ų124.776%0.76280%0.795SS**  trans-104.8147.2-170.4-176.80000114.5
399S32.9Very low35.4Very low116 Ų116124.9 Ų124.981%0.81179%0.794SS**  trans172.3170.7140.4-79.80000112.9
400T34.3Very low35.2Very low134 Ų134127.4 Ų127.482%0.82279%0.794SS**  trans-123.9-153.8-163.661.30000114.4
401P60.9Low34.4Very low112 Ų112126.9 Ų126.973%0.72778%0.784SS**  trans-113.5-168.4-132.236.8-14.8000114.8
402P44.6Very low34Very low127 Ų127129.2 Ų129.283%0.82578%0.776SS**  -153.4-172.9101.540.7-21.4000117.8
403T31Very low34Very low131 Ų131130.4 Ų130.480%0.80477%0.768SS**  trans-86.5175-170.5-36.30000115.8
404I32.4Very low33.7Very low156 Ų156129.2 Ų129.280%0.876%0.76SS**  trans141.6137.2147.5-78.1163.7000111.1
405V30.9Very low33.5Very low120 Ų120128.2 Ų128.273%0.72775%0.753SS**  cis-159.6167.2-5.6119.70000111
406S32.8Very low33.5Very low112 Ų112130.6 Ų130.678%0.78376%0.761SS**  trans-134.6153.5167.6-510000113.3
407P44.9Very low33.4Very low109 Ų109127.7 Ų127.771%0.70876%0.759SS**  trans-119.4140145.74.318.2000111.3
408S28.3Very low33.4Very low113 Ų113124 Ų12479%0.7975%0.754SS**  72.213784.2-48.10000113.3
409T31.5Very low34.2Very low121 Ų121124.8 Ų124.874%0.74276%0.757SS**  cis-149.2145.620.848.20000114.6
410E28.7Very low33.9Very low162 Ų162124.3 Ų124.376%0.75776%0.76SS**  trans58.2139.4132.3-65.8-164.9178.100127.2
411N28.1Very low33.6Very low117 Ų117122.5 Ų122.563%0.62676%0.758SS**  trans93.1103.2133.7-70.5-16.7000125.2
412H30.5Very low32Very low155 Ų155122.5 Ų122.572%0.71876%0.761SS**  77121.5120.2-84.4-59000124.8
413N28.5Very low31.3Very low131 Ų131122.1 Ų122.170%0.70176%0.757SS**  81.9118.6129-79.717.1000123.9
414S28Very low31.3Very low94 Ų94121.3 Ų121.366%0.65775%0.751SS**  87.4104.7120.5-630000121.9
415S28.6Very low31.2Very low101 Ų101122.1 Ų122.171%0.70675%0.751SS**  76.6110.2117.4-540000121
416S29.7Very low31.1Very low105 Ų105125.4 Ų125.473%0.73476%0.758SS**  trans57.1128.7133.263.80000121.1
417I30.2Very low30.9Very low167 Ų167126.4 Ų126.486%0.85676%0.76SS**  -165.8139.8120.7-98.4149.9000110.5
418S31.6Very low30.2Very low112 Ų112127.2 Ų127.278%0.78376%0.763SS**  trans-132169.2162.2-630000106.4
419P50.3Low30.2Very low126 Ų126127 Ų12782%0.81876%0.761SS**  cis-134.3-179.34.143.1-27.3000114.6
420A26.2Very low30.3Very low106 Ų106129.1 Ų129.188%0.87676%0.763SS**  trans-160.3159145.900000109.6
421A28.4Very low30.4Very low95 Ų95130.2 Ų130.279%0.78577%0.767SS**  trans-134149.5-176.700000112.5
422S27.7Very low30.5Very low112 Ų112130.8 Ų130.878%0.78378%0.775SS**  trans-171.4119.2144.9-86.40000114.3
423T29.4Very low30.5Very low120 Ų120130 Ų13074%0.73678%0.781SS**  65.197124.2-45.50000121.5
424V31.1Very low30.5Very low113 Ų113131.6 Ų131.669%0.68579%0.789SS**  trans49.4115.6130.3-169.40000119.9
425H28.9Very low30.7Very low173 Ų173132.8 Ų132.880%0.80180%0.797SS**  -177.9131.2110.6-99.4-70.9000111.6
426H29.8Very low30.8Very low189 Ų189133.3 Ų133.388%0.87580%0.801SS**  trans-102.9125.7167.7-86.9-70.7000110.6
427T28.6Very low30.8Very low133 Ų133135.5 Ų135.582%0.81680%0.804SS**  trans-117.398.5171.142.20000110.1
428T30Very low30.7Very low127 Ų127136.3 Ų136.378%0.77980%0.802SS**  trans-84.7115.9177.6-47.40000110.2
429S29.1Very low30.7Very low107 Ų107138.1 Ų138.175%0.74880%0.803SS**  trans-70.5137.7-178.8520000113
430H32.6Very low29.8Very low167 Ų167139.7 Ų139.777%0.77380%0.799SS**  trans-74.5137.2174.1-76.9-125.8000112
431H30.6Very low29.9Very low185 Ų185144.5 Ų144.586%0.85680%0.795SS**  trans-142.393.8153.3-103.6-84.8000109.7
432T31Very low30Very low128 Ų128151.3 Ų151.379%0.78580%0.802SS**PPolyproline II helixtrans-83.3116.6173.945.50000110
433T30.1Very low30.6Very low138 Ų138155.3 Ų155.385%0.84782%0.821SS**PPolyproline II helixtrans-76.2154.1179.642.60000113.1
434L28.4Very low30.7Very low165 Ų165157.1 Ų157.186%0.86483%0.825SS**PPolyproline II helixtrans-67.5153.6-174.7-69112.7000113.8
435S32Very low30.6Very low119 Ų119159.4 Ų159.483%0.83283%0.833SS**PPolyproline II helixtrans-64.9132163.255.80000111.9
436S30.2Very low30.7Very low112 Ų112158.6 Ų158.678%0.78384%0.835SS**  trans-143.8154.9163.664.30000112.5
437N30.7Very low30.8Very low151 Ų151156.8 Ų156.881%0.80783%0.832SS**  trans-71.9146.6-168.9-58.3-62.9000113.3
438F27.3Very low30.9Very low184 Ų184158.3 Ų158.381%0.80783%0.833SS**  trans-146.795.6148-104.9-76.6000109.9
439N32.7Very low31Very low151 Ų151160.4 Ų160.481%0.80784%0.837SS**  trans-137.827.4173.4-152.914.6000112.7
440E30.7Very low31.1Very low158 Ų158164.2 Ų164.274%0.73884%0.843SS**  trans-114.5157.1156.2-62.4168.115600103.8
441W28.5Very low31Very low208 Ų208164 Ų16479%0.78885%0.849SS**  cis-133.1140.424.5-68.332.6000110.3
442Y30.1Very low31Very low238 Ų238162.3 Ų162.393%0.93385%0.848SS**  trans-164.695.1150.3-101.1-68000107.7
443V40.9Very low31.1Very low195 Ų195165.4 Ų165.4100%1.18285%0.854SS**  trans-720160.8178.30000107.4

Retrieved 443 of 443 residues in 1162.7 ms (Link to these results)