TBR1_HUMAN Loading...

T-box brain protein 1

Transcriptional repressor involved in multiple aspects of cortical development, including neuronal migration, laminar and areal identity, and axonal projection1,2. As transcriptional repressor of FEZF2, it blocks the formation of the corticospinal (CS) tract from layer 6 projection neurons, thereby restricting the origin of CS axons specifically to layer 5 neurons (By similarity).

AlphaFold DB , UniProt , Accession Q16650, Species HUMAN (Homo sapiens, Human), Gene TBR1, Length 682 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
1M40.5Very low39.2Very low250 Ų250147.8 Ų147.8100%1.23281%0.808SS**  0141.60-68.1178.1-114.700107.7
2Q33.5Very low38.9Very low169 Ų169149.3 Ų149.379%0.7981%0.809SS**  trans-101.2145.3178.5-67.9160.5-93.500110.4
3L39.7Very low38.9Very low166 Ų166148.2 Ų148.287%0.86980%0.801SS**  trans-159.3109.2141.9-111.9124.3000104.8
4E37.2Very low38.7Very low126 Ų126145.1 Ų145.159%0.58980%0.796SS**  57.995.271.7-62.2-60124.100110.6
5H39.9Very low38.8Very low139 Ų139148.3 Ų148.364%0.64480%0.799SS**  90.911280.1-105.6-82.3000112.6
6C42.1Very low38.8Very low134 Ų134151 Ų15191%0.90580%0.801SS**  trans-145.8104.7161.5-88.90000108.3
7L39.2Very low38.4Very low154 Ų154153.4 Ų153.481%0.80680%0.803SS**  trans-105.9134.1170.8-71.9168.3000108
8S37.5Very low38.3Very low118 Ų118154 Ų15483%0.82581%0.807SS**  trans-104.2136.2174.8-1650000110.1
9P42.6Very low37.9Very low115 Ų115152.8 Ų152.875%0.74780%0.801SS**PPolyproline II helixtrans-77.5154.9-170.931-35.9000113.6
10S36Very low37.8Very low96 Ų96152 Ų15267%0.67180%0.803SS**PPolyproline II helixtrans-81.1131.1174.3-64.30000111.9
11I42.7Very low37.4Very low159 Ų159149.4 Ų149.482%0.81580%0.797SS**PPolyproline II helixtrans-83.5118.2172.3-61.1175.7000109.3
12M36.6Very low37Very low166 Ų166143.3 Ų143.382%0.81878%0.779SS**  trans-90.9102.9172.8-73.8-146.8-59.700111.7S14M12-S14 PolarHBondContact O-N 3.42Å; M12-S14 VanDerWaalsContact O-N 3.17Å
13L38.5Very low37.1Very low135 Ų135140.2 Ų140.271%0.70778%0.776SS**  trans-77.796.9170.7-91.3161.7000111.5
14S35.8Very low36.7Very low104 Ų104143.4 Ų143.473%0.72778%0.778SS**  trans-96116.8163.7-70.20000110.1M12M12-S14 PolarHBondContact O-N 3.42Å; M12-S14 VanDerWaalsContact O-N 3.17Å
15K39.9Very low37.2Very low194 Ų194143.2 Ų143.284%0.84379%0.787SS**  trans-123.7110.4163.3-80.8-175.2176.8173.10110.6
16K39.2Very low37Very low191 Ų191145.7 Ų145.783%0.8380%0.799SS**  trans-86.8128.6169.7-81.2-178.4179.4176.90108.9
17F32.9Very low37Very low191 Ų191145.1 Ų145.184%0.83880%0.797SS**  trans61.5150.7139-80-81.9000122.8
18L35.5Very low36.7Very low165 Ų165141.7 Ų141.786%0.86480%0.799SS**  trans92.3140.1149.3-78.6158.7000120.2
19N30.3Very low36.9Very low131 Ų131139.9 Ų139.970%0.70180%0.798SS**  trans-118.3129.4-170.6164.624.4000107.1
20V36Very low36.8Very low137 Ų137139.7 Ų139.783%0.8380%0.8SS**  trans-141.5138.9169.4-176.20000108.2
21S29.1Very low36.8Very low98 Ų98142.7 Ų142.769%0.68580%0.803SS**  trans-124.9161.3179.6-68.70000111
22S33.7Very low36.8Very low121 Ų121142.9 Ų142.985%0.84681%0.805SS**  trans72.2141.1176.9-134.60000114.2
23S35.3Very low36.7Very low104 Ų104141.2 Ų141.273%0.72780%0.804SS**  cis-157.7160.510.346.10000111.4
24Y30.6Very low36.9Very low233 Ų233142.4 Ų142.491%0.91481%0.81SS**  trans-102.4153.1169.1-80.4-86.6000112.6
25P48.3Very low37.2Very low122 Ų122145.8 Ų145.879%0.79281%0.814SS**  trans-115.8176.5138.836.3-29.1000111.9
26H35Very low36.9Very low192 Ų192143.3 Ų143.389%0.88981%0.81SS**  trans-137.6125.5-153.9-171.375000114
27S41.9Very low36.8Very low122 Ų122143 Ų14385%0.85381%0.811SS**  trans-171.8139.5166.8560000109.3
28G34.3Very low37Very low82 Ų82139.5 Ų139.585%0.84581%0.807SS**  cis154.1111.3-4.100000109.9
29G41.2Very low37.1Very low80 Ų80138.9 Ų138.983%0.82580%0.804SS**  trans-175.1127.7-176.900000115.3
30S40.3Very low37.2Very low111 Ų111140 Ų14078%0.77681%0.808SS**  trans-55.2163.2164.7-87.50000113.4
31E36.5Very low37Very low158 Ų158138.2 Ų138.274%0.73880%0.801SS**  cis-178.3145.1-6.6161.6-179.9165.100108.8
32L41.6Very low37.3Very low164 Ų164139.1 Ų139.186%0.85980%0.803SS**  trans172.9156.2139.5-95.5166.9000110.6
33V35.8Very low37.5Very low131 Ų131139.4 Ų139.479%0.79480%0.8SS**  trans-120.6133.6-163.6175.70000112.5
34L42.7Very low37.5Very low159 Ų159141.6 Ų141.683%0.83280%0.803SS**  trans-157.9115.7153.5-125.3148.5000114.1
35H41.3Very low37.7Very low176 Ų176137.8 Ų137.882%0.81580%0.799SS**  trans35.2132.6165.8-69.4-32.6000124.5
36D33.8Very low37.1Very low142 Ų142138.8 Ų138.876%0.75980%0.797SS**  trans-62.9141.9167.8-74.7-78.5000115.6
37H37.2Very low37.1Very low185 Ų185138.5 Ų138.586%0.85680%0.796SS**  trans-149.4116.5135.6-83.3-24.4000109.9I39H37-I39 PolarHBondContact O-N 3.22Å
38P37.1Very low37Very low116 Ų116142.8 Ų142.875%0.75379%0.793SS**  trans-83.1113-177.631-33.3000112.4
39I37.2Very low37.1Very low153 Ų153144.1 Ų144.179%0.78579%0.79SS**  trans-95.2113.6166.4-62179.7000108.8H37 S41H37-I39 PolarHBondContact O-N 3.22Å; I39-S41 PolarHBondContact O-N 3.15Å
40I33Very low36.8Very low153 Ų153146.2 Ų146.279%0.78579%0.792SS**  trans-71.4112.4179-62.2174.9000109.5T42I40-T42 HydrophobicContact CG2-CG2 4.08Å
41S31.9Very low36.8Very low100 Ų100146.1 Ų146.170%0.69979%0.788SS**  trans-99.7103.6170.5-660000110.4I39 T43I39-S41 PolarHBondContact O-N 3.15Å; S41-T43 PolarHBondContact O-N 3.14Å
42T35.4Very low36.6Very low118 Ų118146.2 Ų146.272%0.72479%0.793SS**  trans-82.796.1175.453.50000111.4I40I40-T42 HydrophobicContact CG2-CG2 4.08Å
43T36.7Very low36.6Very low127 Ų127148.7 Ų148.778%0.77980%0.797SS**  trans-122.271.1167.655.10000110.3S41 N45S41-T43 PolarHBondContact O-N 3.14Å; T43-N45 PolarHBondContact O-N 3.27Å; T43-N45 VanDerWaalsContact O-N 3.14Å
44D34.9Very low36.9Very low149 Ų149151 Ų15180%0.79780%0.797SS**  trans-72.9102.3174.4-81.2-53.2000111
45N35.3Very low36.9Very low153 Ų153151.5 Ų151.582%0.81880%0.798SS**  trans-10788.5166.4-170.610.7000108.4T43T43-N45 PolarHBondContact O-N 3.27Å; T43-N45 VanDerWaalsContact O-N 3.14Å
46L36.7Very low36.8Very low143 Ų143148.1 Ų148.175%0.74979%0.79SS**  trans-107.677.2-169.7-165.672.4000112.7R48L46-R48 PolarHBondContact O-N 2.98Å; L46-R48 VanDerWaalsContact O-N 3.15Å
47E35Very low37.5Very low187 Ų187153.1 Ų153.187%0.87480%0.798SS**  trans-69.3100.2153.5-75.6-164.6105.200109.4
48R38.8Very low37.5Very low212 Ų212147.7 Ų147.780%0.879%0.792SS**  trans-144.7130.3158.7-171.4159.4-75.4-135.5-0.4112.4L46L46-R48 PolarHBondContact O-N 2.98Å; L46-R48 VanDerWaalsContact O-N 3.15Å
49S36.8Very low37.9Very low110 Ų110151.2 Ų151.277%0.76980%0.801SS**  trans-69.1143.7175.241.50000112.6
50S34.4Very low38.3Very low124 Ų124149.7 Ų149.787%0.86780%0.799SS**  trans-104.9117179-67.60000111.8
51P40.5Very low38.9Very low108 Ų108148.1 Ų148.170%0.70179%0.792SS**  trans-98141173.134.8-30.8000113.4
52L31.8Very low39.4Very low161 Ų161150.9 Ų150.984%0.84379%0.794SS**  trans42126.6157.4-70.989.4000120.8
53K41.3Very low39.7Very low216 Ų216149.7 Ų149.794%0.93979%0.79SS**  -145.7121.3125.6-113.4165-172173.20110.7
54K42.8Very low40.4Very low180 Ų180149.7 Ų149.778%0.78379%0.785SS**  trans-102.4125.3-179.3-180178.8179.1178.50109
55I43.9Very low40.9Very low169 Ų169148.1 Ų148.187%0.86778%0.781SS**  trans-95.7130.8169.7-68.5177.1000108.4
56T39.1Very low41.6Very low105 Ų105147 Ų14764%0.64478%0.775SS**  trans-124.2131.3175.6-56.90000108.5
57R47.6Very low42.2Very low247 Ų247146 Ų14693%0.93277%0.77SS**  trans-123136.4154.3-87.9-175.3169.1179.1-3.4107
58G37.1Very low42.8Very low70 Ų70146 Ų14672%0.72277%0.768SS**  trans-138.2153.2175.900000110.3
59M46Very low43.6Very low191 Ų191140.6 Ų140.694%0.94176%0.761SS**  trans-139.6147.1167.8-68.9-176.167.300107.9
60T45.9Very low43.9Very low121 Ų121142.1 Ų142.174%0.74276%0.76SS**  trans-103171.5-176.7580000109.7
61N44.1Very low44.4Very low120 Ų120141 Ų14164%0.64275%0.752SS**  cis-158.4156.433.4-96-51.5000112.2
62Q42.7Very low44.8Very low158 Ų158143.2 Ų143.274%0.73875%0.751SS**  trans32.1115.7132.9-59.9172.986.900119.2
63S42.8Very low45.4Very low92 Ų92141.2 Ų141.264%0.64374%0.741SS**  90153.286.880.70000112.7
64D50.7Low45.7Very low128 Ų128135.9 Ų135.968%0.68473%0.731SS**  cis-145.413516.3-72-77.5000110.9
65T45.8Very low46Very low115 Ų115133.8 Ų133.871%0.70674%0.735SS**  82.4150.9105.176.10000120.3
66D49.5Very low46.1Very low129 Ų129129.2 Ų129.269%0.6973%0.73SS**  trans75.1149.8163.1-61.1-62.2000122.1
67N49.5Very low46.2Very low122 Ų122132 Ų13265%0.65274%0.741SS**  cis-169.5122.3-47.9-114.4-17.6000113
68F46.8Very low46Very low187 Ų187125.5 Ų125.582%0.8273%0.729SS**  trans61.5169.6149.2-79.4-113.5000119.9
69P56.2Low46.2Very low100 Ų100130.2 Ų130.265%0.64973%0.732SS**  -144.4174.9-52.842.2-25.5000118
70D42.9Very low46Very low142 Ų142131.4 Ų131.476%0.75973%0.726SS**  trans95.7140.1134.5-123.7-55.8000124.4
71S46.3Very low45.7Very low99 Ų99130 Ų13069%0.69272%0.721SS**  trans67.1146.2152.5-78.20000120
72K47.6Very low45.8Very low156 Ų156133.4 Ų133.468%0.67873%0.73SS**  cis-163.6159.62.1-143.5179.8161.5-70.90111.9
73D44.7Very low46Very low119 Ų119133.3 Ų133.364%0.63673%0.734SS**  trans59163.2158.8-57.3-34.1000119.1
74S48.4Very low45.6Very low104 Ų104134.3 Ų134.373%0.72774%0.741SS**  cis-162.9156.1-33.9-920000108.7
75P48.7Very low45.5Very low135 Ų135133.7 Ų133.788%0.87774%0.744SS**  trans-98159.8-172.137.3-35.7000115.8
76G45.9Very low45.3Very low73 Ų73134.4 Ų134.475%0.75375%0.748SS**  trans-172.4102.717200000117.7
77D41.5Very low44.9Very low165 Ų165135 Ų13588%0.88275%0.751SS**  48.6170.1128.6-142.6-8.1000123.8
78V43.2Very low44.4Very low110 Ų110136.7 Ų136.767%0.66776%0.76SS**  trans86.587.6163.1-165.90000119.6
79Q41.2Very low44Very low169 Ų169131.5 Ų131.579%0.7976%0.758SS**  57.4134.3115.8-154.5-176.278.300121.7
80R41.4Very low43.3Very low215 Ų215133.5 Ų133.581%0.81177%0.769SS**  148.8103.1112.6-162.7171.3-151.2-138.66.7118.5
81S41Very low43Very low93 Ų93132.2 Ų132.265%0.6577%0.771SS**  trans67.9135.7137.3-58.80000125
82K44.8Very low42.6Very low191 Ų191136.1 Ų136.183%0.8378%0.778SS**  trans68.8139.5142.4-71.6176.5178.4-173.10117.2
83L46.8Very low42.2Very low155 Ų155135.3 Ų135.381%0.81278%0.78SS**  cis-143.6163.320.4-67.7168.9000112.7
84S35.2Very low41.8Very low114 Ų114140.3 Ų140.380%0.79779%0.79SS**  trans-117152155.3-51.80000108.6
85P48.3Very low41.3Very low115 Ų115144.5 Ų144.575%0.74780%0.798SS**  -150.3138.593.142.5-25.4000114.4
86V40.6Very low40.6Very low130 Ų130143.5 Ų143.579%0.78879%0.794SS**  100.2144.983.4164.70000114.6
87L42.5Very low40.2Very low142 Ų142149.9 Ų149.974%0.74380%0.801SS**  trans83.8107.5168.2-79.7162.8000121
88D38.3Very low39.9Very low157 Ų157149.9 Ų149.984%0.8480%0.802SS**  trans53.9119133.3-60.84.2000123.6
89G39.3Very low39.5Very low77 Ų77147.8 Ų147.879%0.79480%0.802SS**  trans-179.5130.4163.200000110.1
90V40.8Very low39.6Very low143 Ų143145.6 Ų145.687%0.86781%0.805SS**  trans-99.8123.8-164.9178.10000113.7
91S36.7Very low39.6Very low115 Ų115139.6 Ų139.680%0.80480%0.802SS**  trans38.4111.8155-55.80000120.5
92E36.8Very low39.4Very low181 Ų181140 Ų14085%0.84681%0.811SS**  trans-103.9169.3163.5-89.8-156.9114.100113.9
93L39.6Very low39.4Very low139 Ų139138.6 Ų138.673%0.72881%0.812SS**  trans61.292.5156-99.262.8000120.6
94R36Very low39.1Very low224 Ų224141 Ų14185%0.84581%0.811SS**  12.8135.8123.2-56178.8179.3-161.7-0.9118.4
95H38Very low38.9Very low191 Ų191145.4 Ų145.488%0.88481%0.811SS**  -152.9160.2117.4-98.4-66.5000110.5
96S33.7Very low38.5Very low114 Ų114148.5 Ų148.580%0.79782%0.821SS**  trans-108.7143.6-158.7-44.30000114.2
97F38.1Very low38.3Very low207 Ų207150 Ų15091%0.90882%0.823SS**  trans-154.4108.5147.1-157.3-88.7000111.3
98D35.3Very low38Very low166 Ų166148.5 Ų148.589%0.88883%0.825SS**  trans-150.3147.2160.2-164.4-0.4000107.7
99G35.6Very low37.9Very low65 Ų65149.9 Ų149.967%0.6783%0.826SS**  trans166.5100-173.300000116.2
100S42.9Very low38Very low123 Ų123151.4 Ų151.486%0.8683%0.825SS**  trans-149.8117.8133.1-170.60000108.3
101A40.2Very low38.1Very low89 Ų89149.7 Ų149.774%0.73682%0.819SS**  trans-81161.8-175.100000112.5
102A37.1Very low38Very low102 Ų102153 Ų15384%0.84382%0.822SS**  trans-108.4107167.800000109.2
103D45Very low38.2Very low161 Ų161148.8 Ų148.886%0.86181%0.81SS**  trans-78.6135178.7-81.2-51.6000112.5
104R41.8Very low38.2Very low206 Ų206150.4 Ų150.478%0.77781%0.814SS**  trans-148.1115.5165.4-117.3-163.6-66.5176.30.6111.3
105Y31.2Very low38.6Very low207 Ų207144.6 Ų144.681%0.81281%0.808SS**  trans63.6119.9167.5-49.9-66.4000118.3
106L39.2Very low38.8Very low180 Ų180140.4 Ų140.494%0.94281%0.806SS**  -157.1167.4111.6-105.8167.8000110.4
107L35.5Very low39.5Very low160 Ų160139.1 Ų139.184%0.83880%0.802SS**  trans-117.3133.2-162.1-172.580.1000112.3
108S37.6Very low39.7Very low112 Ų112136.2 Ų136.278%0.78380%0.801SS**  trans-161.3143.6156.8-169.70000111.4
109Q35.6Very low40.5Very low185 Ų185132.2 Ų132.286%0.86479%0.792SS**  trans-136.5147.6172.2-74.3-171.7200110.1
110S41.8Very low41Very low109 Ų109135.3 Ų135.376%0.76280%0.8SS**  trans-158141.7160.241.20000113.7
111S41.7Very low40.8Very low107 Ų107135.1 Ų135.175%0.74880%0.799SS**  trans49.398.6155.6510000121.7
112Q34.7Very low41.1Very low186 Ų186135.9 Ų135.987%0.86981%0.805SS**  21.4161.8105.4-95.5-158.3500121.2
113P41.7Very low41.3Very low91 Ų91138.9 Ų138.959%0.59180%0.804SS**  cis-148.4178.53643.8-23.8000120.2
114Q39.4Very low41.5Very low174 Ų174140.9 Ų140.981%0.81381%0.805SS**  trans70.4148.6149.6-80.7164.416.300119.8
115S44.2Very low41.8Very low102 Ų102136 Ų13671%0.71380%0.8SS**  cis-155153.78.4-106.80000113.8
116A43.3Very low42.4Very low103 Ų103136.5 Ų136.585%0.85180%0.802SS**  trans57.1133.3159.400000119.4
117A46.9Very low43Very low87 Ų87133.3 Ų133.372%0.71979%0.792SS**  cis-160-167.8-3.700000107.9
118T43.9Very low43.4Very low145 Ų145129.3 Ų129.389%0.8979%0.79SS**  cis-152.9-15415.2-290000111.4
119A50.8Low43.8Very low83 Ų83133.4 Ų133.469%0.68680%0.796SS**  trans-102.1176-17000000114.6
120P46.5Very low44.3Very low129 Ų129133.9 Ų133.984%0.83880%0.798SS**  cis-134.6178.5-28.429.4-8.4000115.2
121S38.7Very low44.4Very low120 Ų120132.3 Ų132.384%0.83980%0.799SS**  trans-83.1160.6-174.2-35.80000117.2
122A46.4Very low44.8Very low104 Ų104133.2 Ų133.286%0.8680%0.803SS**  trans-150143.5143.500000111.5
123M42.4Very low45Very low166 Ų166128.3 Ų128.382%0.81879%0.794SS**  trans-96.5160.8-177.5-57.8172.1177.900112.1
124F47.8Very low45.1Very low203 Ų203132.5 Ų132.589%0.8981%0.805SS**  168134.7125.4-88.4-59.9000112.6
125P49.3Very low45.4Very low104 Ų104129.2 Ų129.268%0.67580%0.799SS**  trans-123.9178.4174.937.3-23.4000115.9
126Y43.1Very low44.9Very low217 Ų217129 Ų12985%0.85180%0.803SS**  trans75.9159.4174.4-74-89000117.2
127P52.8Low44.8Very low112 Ų112133.3 Ų133.373%0.72780%0.803SS**  -143.7157.2-59.938.9-21000117.7
128G42.9Very low44.2Very low77 Ų77135 Ų13579%0.79481%0.809SS**  64.2138.9124.100000123.6
129Q45.8Very low44.2Very low198 Ų198135.4 Ų135.493%0.92580%0.804SS**  trans-150.4165.7146.5-115.9-175.516.500111.7
130H47.1Very low43.6Very low195 Ų195134.7 Ų134.790%0.90381%0.805SS**  trans-110159.5-169-67-118000113.1
131G42.7Very low43.2Very low76 Ų76134.4 Ų134.478%0.78481%0.806SS**  trans160.9105.516000000116.5
132P49.5Very low43.5Very low126 Ų126134.2 Ų134.282%0.81880%0.802SS**  trans-114.4152.5174.938.5-29.6000114.2
133A40.9Very low43.1Very low83 Ų83134.1 Ų134.169%0.68680%0.795SS**  trans170.3117143.300000116
134H43Very low42.9Very low179 Ų179136.9 Ų136.983%0.82980%0.796SS**  trans58.6-178.2142.8-52.2-57.3000119.4
135P44.8Very low42.9Very low105 Ų105138.7 Ų138.768%0.68280%0.799SS**  -133.8171.6-78.241.9-27.3000116.3
136A34.9Very low42.4Very low96 Ų96142.3 Ų142.379%0.79381%0.809SS**  trans27.3117.915200000120.8
137F41Very low42.3Very low195 Ų195135.5 Ų135.586%0.85580%0.797SS**  trans-106.3121.1162.8-77.9-81.4000112.3
138S34.3Very low41.8Very low121 Ų121139.2 Ų139.285%0.84680%0.804SS**  trans-125105.3162.7-72.90000108.7
139I43Very low41.5Very low155 Ų155143.7 Ų143.780%0.79580%0.804SS**  trans-132.7119.9170.9-61.8-179.5000107.5
140G37.8Very low41.6Very low67 Ų67139.6 Ų139.669%0.69180%0.795SS**  trans-105.4159.6173.400000111.5
141S39.6Very low41.3Very low123 Ų123136 Ų13686%0.8679%0.786SS**  trans-154.8156162-85.30000111.2
142P44.1Very low41.3Very low117 Ų117140.4 Ų140.476%0.7679%0.791SS**  trans-119.8-173.5-159.342.6-30.5000114.7
143S38.7Very low40.8Very low101 Ų101139.3 Ų139.371%0.70678%0.782SS**  trans96.1115.8176.2-46.50000113
144R38.4Very low40.9Very low225 Ų225142.2 Ų142.285%0.84979%0.786SS**  75.296.260.7-74.9-156.5-77.4-143.2-2.1113.9
145Y46.5Very low40.7Very low241 Ų241137.2 Ų137.295%0.94578%0.782SS**  trans-126.1159.9138.4-87.9-85.5000108.6
146M40.2Very low40.4Very low180 Ų180136.1 Ų136.189%0.88778%0.782SS**  trans-148169.5-165.2-127.6-173168.600112.8
147A40.6Very low40.6Very low74 Ų74141 Ų14161%0.61278%0.781SS**  trans82.6150.2165.700000116.8
148H41.4Very low40.4Very low189 Ų189138.6 Ų138.688%0.87578%0.778SS**  cis-128.3160.811.5-77.5-95.6000115.3
149H37Very low40.5Very low171 Ų171137 Ų13779%0.79277%0.767SS**  trans-86.8-168.1169.7-81.3-74.3000110.6
150P49Very low40.4Very low113 Ų113136.8 Ų136.873%0.73477%0.766SS**  cis-141.9149.315.639.2-15.3000118.9
151V39.8Very low40.6Very low118 Ų118140.9 Ų140.972%0.71577%0.772SS**  84.4132.691.5179.20000117.3
152I42.6Very low40.4Very low170 Ų170139.8 Ų139.887%0.87276%0.764SS**  trans-176.8164.2132.9-92.1161.8000109.5
153T39.3Very low39.9Very low103 Ų103141.2 Ų141.263%0.63277%0.765SS**  -143.8175.8-120.21780000117.2
154N42.1Very low39.9Very low144 Ų144141.3 Ų141.377%0.7777%0.766SS**  trans93.6133.1166-50.9-11.3000116.8
155G39.5Very low39.8Very low73 Ų73135.8 Ų135.875%0.75376%0.762SS**  cis105.8137.3-5.300000114.9
156A38.9Very low40.3Very low83 Ų83129.6 Ų129.669%0.68675%0.751SS**  cis-146.3-140.7-6.500000109.7
157Y38.2Very low40.4Very low197 Ų197130.7 Ų130.777%0.77375%0.754SS**  cis-163160.114.5-56.9-103000111.9
158N37.7Very low40.2Very low146 Ų146130 Ų13078%0.78175%0.754SS**  trans44.8152.2134.3-64.2-5.7000123.9
159S37.1Very low40.4Very low88 Ų88132.4 Ų132.462%0.61576%0.757SS**  cis-167.5146.63.2-1140000116.1
160L40.9Very low41.1Very low149 Ų149130.2 Ų130.278%0.7876%0.758SS**  trans68.9153.3135.8-64168.6000125.6
161L41.3Very low40.9Very low154 Ų154131.8 Ų131.881%0.80677%0.766SS**  trans71.7156.5164-47.9-171.6000119.5
162S35.2Very low41.3Very low99 Ų99130.6 Ų130.669%0.69277%0.769SS**  169.1138.2-7059.20000111.8
163N33.9Very low41.1Very low147 Ų147125.5 Ų125.579%0.78676%0.757SS**  trans109.9145141.2-15445.6000121.7
164S39.4Very low41.5Very low104 Ų104132 Ų13273%0.72777%0.772SS**  trans71.5143.5156.742.50000122.7
165S36.1Very low41.6Very low109 Ų109130.2 Ų130.276%0.76277%0.769SS**  trans-144.3-160.217665.60000107.4
166P55.8Low41.8Very low110 Ų110137.8 Ų137.871%0.71478%0.776SS**  cis-131.3167.2-29.638.9-24.1000114.2
167Q41.8Very low42Very low203 Ų203139 Ų13995%0.94978%0.777SS**  trans170.9149.8151.7-99.9167.218.400109.1
168G38.2Very low42.3Very low61 Ų61139.1 Ų139.163%0.62978%0.784SS**  cis143.5110.9-13.700000114.1
169Y45.7Very low42.1Very low239 Ų239140.7 Ų140.794%0.93779%0.787SS**  trans-166144.9161-95-64.8000112.2
170P49.9Very low42.1Very low124 Ų124146.2 Ų146.281%0.80580%0.796SS**  trans-121.5163.9-177.641.5-31.3000116
171T45.1Very low41.8Very low147 Ų147142.7 Ų142.790%0.90280%0.796SS**  trans-158.7167.8153.7-1670000112.2
172A48.3Very low41.6Very low93 Ų93142.3 Ų142.377%0.76979%0.789SS**  trans-87.1168.5-169.500000114.3
173G39.3Very low41.7Very low62 Ų62143 Ų14364%0.63979%0.794SS**  cis129.1127.7-6.200000114.5
174Y47.5Very low41.9Very low239 Ų239146.7 Ų146.794%0.93780%0.799SS**  trans-158.7149.3161-96.2-72.1000109.7
175P44.2Very low42Very low108 Ų108150.3 Ų150.370%0.70180%0.804SS**  trans-111.2153.1-171.539.2-30.9000114.9
176Y44.1Very low41.8Very low232 Ų232148.8 Ų148.891%0.9181%0.805SS**  trans-161.9149.8138.4-123.6-93.2000109.2
177P43.4Very low40.8Very low107 Ų107148 Ų14870%0.69581%0.808SS**  trans-113.1144.2-163.737.5-27.6000115.5
178Q42.9Very low40.6Very low200 Ų200142.8 Ų142.894%0.93579%0.792SS**  -160.8154.7124.7-112.9-177.516.900111.7
179Q34.6Very low40.5Very low179 Ų179147.5 Ų147.584%0.83680%0.795SS**  trans-103.6131.4-175.7-60.6157.5-86.800110.4
180Y37.3Very low40Very low205 Ų205147 Ų14780%0.80479%0.794SS**  trans-155.595.5144.8-111.6-72.6000110H182Y180-H182 AromaticContact CD1-CE1 3.7Å; Y180-H182 AromaticContact CD1-NE2 3.45Å; Y180-H182 WeakPolarHBondContact CD1-NE2 3.29Å; Y180-H182 AromaticContact CE1-CE1 3.86Å; Y180-H182 AromaticContact CE1-NE2 3.77Å
181G33.4Very low39.2Very low75 Ų75148.1 Ų148.177%0.77379%0.788SS**  trans-92.2113.9176.500000111
182H38.4Very low39.1Very low146 Ų146149.1 Ų149.168%0.67678%0.78SS**  trans-118.397.5172.2-72.6-35.6000110.8Y180 Y184Y180-H182 AromaticContact CD1-CE1 3.7Å; Y180-H182 AromaticContact CD1-NE2 3.45Å; Y180-H182 WeakPolarHBondContact CD1-NE2 3.29Å; Y180-H182 AromaticContact CE1-CE1 3.86Å; Y180-H182 AromaticContact CE1-NE2 3.77Å; H182-Y184 PolarHBondContact O-N 2.71Å
183S35.7Very low38.2Very low112 Ų112149.1 Ų149.178%0.78378%0.775SS**  trans-71108172.551.80000110.7Q185S183-Q185 PolarHBondContact O-N 3.17Å
184Y39.3Very low38.5Very low226 Ų226151.9 Ų151.989%0.88678%0.784SS**  trans-74.689.5167-84.8-93.8000110.1H182H182-Y184 PolarHBondContact O-N 2.71Å
185Q40.3Very low38.2Very low179 Ų179145.8 Ų145.884%0.83677%0.772SS**PPolyproline II helixtrans-72.1131.1158.2-77.4-171.5-27.300109S183 A187S183-Q185 PolarHBondContact O-N 3.17Å; Q185-A187 PolarHBondContact O-N 3.24Å
186G33.2Very low38Very low77 Ų77147.5 Ų147.579%0.79477%0.771SS**PPolyproline II helixtrans-71.8118174.500000110.8
187A34.4Very low37.6Very low94 Ų94142.6 Ų142.678%0.77777%0.767SS**PPolyproline II helixtrans-87.2130173.100000110.8Q185Q185-A187 PolarHBondContact O-N 3.24Å
188P36.8Very low37.7Very low94 Ų94140.8 Ų140.861%0.6177%0.768SS**  trans-71.4-160.7155.1-10.327.6000110.4
189F36.2Very low38.1Very low159 Ų159135.3 Ų135.370%0.69775%0.745SS**  trans74.880163.9-45.9-71.5000117.3Q191F189-Q191 HydrophobicContact CB-CB 3.99Å; F189-Q191 HydrophobicContact CD1-CB 4.33Å; F189-Q191 PolarHBondContact O-N 3.34Å; F189-Q191 VanDerWaalsContact O-N 3.17Å
190Y36.7Very low39.1Very low230 Ų230130.7 Ų130.790%0.90273%0.729SS**  -73.475.1129.2-85.6-82.8000108.6
191Q31.8Very low39.9Very low146 Ų146126.9 Ų126.968%0.68273%0.729SS**  trans-94.8101.7171.3-175.5165.7-13.200108.2F189 S193F189-Q191 HydrophobicContact CB-CB 3.99Å; F189-Q191 HydrophobicContact CD1-CB 4.33Å; F189-Q191 PolarHBondContact O-N 3.34Å; F189-Q191 VanDerWaalsContact O-N 3.17Å; Q191-S193 PolarHBondContact O-N 3.48Å; Q191-S193 VanDerWaalsContact O-N 3.1Å
192F42.4Very low41.5Very low168 Ų168125.3 Ų125.374%0.73771%0.713SS**  trans-64.6108.8174.4-88.8-93.8000109.9S194F192-S194 PolarHBondContact O-N 3.5Å
193S31.4Very low43.7Very low94 Ų94124.6 Ų124.666%0.65771%0.708SS**  trans-64.4113.5162.1-60.50000108.6Q191 T195Q191-S193 PolarHBondContact O-N 3.48Å; Q191-S193 VanDerWaalsContact O-N 3.1Å; S193-T195 PolarHBondContact O-N 3.18Å
194S45.3Very low46.4Very low120 Ų120119.6 Ų119.684%0.83967%0.673SS**SBendtrans-7117.5-176.349.10000114.7F192F192-S194 PolarHBondContact O-N 3.5Å
195T39.6Very low49.1Very low110 Ų110112.2 Ų112.268%0.67565%0.647SS**  trans-138.457.4-166.448.50000112S193 P197S193-T195 PolarHBondContact O-N 3.18Å; T195-P197 VanDerWaalsContact O-CD 3.29Å; T195-P197 WeakPolarHBondContact O-CD 3.36Å
196Q40Very low51.8Low145 Ų145104.5 Ų104.568%0.67861%0.612SS**  trans-92.3102.9162.4-83.1-69.7-5.900109.8G198Q196-G198 PolarHBondContact O-N 2.94Å
197P36.2Very low54.9Low128 Ų128106.8 Ų106.883%0.83160%0.597SS**THydrogen-bonded Turntrans-73.298.2-17930.4-34000110.1T195T195-P197 VanDerWaalsContact O-CD 3.29Å; T195-P197 WeakPolarHBondContact O-CD 3.36Å
198G45.7Very low58Low70 Ų70103 Ų10372%0.72256%0.564SS**THydrogen-bonded Turntrans157.3-12.6-17400000114.3Q196 V200Q196-G198 PolarHBondContact O-N 2.94Å; G198-V200 PolarHBondContact O-N 3.22Å; G198-V200 VanDerWaalsContact O-N 3.08Å
199L51.5Low60.9Low85 Ų8599.1 Ų99.145%0.44554%0.539SS..  trans-62104.2163.6-85157.9000110.1P201 Q205L199-P201 WeakPolarHBondContact O-CD 3.14Å; L199-Q205 HydrophobicContact CD2-CG 4.27Å
200V55.6Low63.8Low82 Ų8296 Ų9650%0.49753%0.53SS..  trans-71.7118.9166.5178.90000107.7G198 K203G198-V200 PolarHBondContact O-N 3.22Å; G198-V200 VanDerWaalsContact O-N 3.08Å; V200-K203 HydrophobicContact CB-CB 4.47Å; V200-K203 HydrophobicContact CB-CD 4.09Å; V200-K203 HydrophobicContact CB-CG 4.26Å; V200-K203 HydrophobicContact CG1-CD 4.03Å; V200-K203 HydrophobicContact CG1-CG 4.12Å; V200-K203 PolarHBondContact O-N 3.03Å
201P54.3Low66.7Low125 Ų12590.4 Ų90.481%0.81251%0.507SS*.THydrogen-bonded Turntrans-55.7143178.6-25.835.8000112L199 K203L199-P201 WeakPolarHBondContact O-CD 3.14Å; P201-K203 VanDerWaalsContact C-N 3.27Å; P201-K203 PolarHBondContact O-N 3.24Å
202G67Low69.9Low42 Ų4288.2 Ų88.243%0.43351%0.506SS..THydrogen-bonded Turntrans78.7-6.7-177.100000115.7Q357G202-Q357 PolarHBondContact O-NE2 3.48Å
203K84.2Confident72.6Confident130 Ų13081.8 Ų81.857%0.56548%0.479SS*.  trans-94.1115.2173.3-66.4-166.1179.1-178.60111.2V200 P201V200-K203 HydrophobicContact CB-CB 4.47Å; V200-K203 HydrophobicContact CB-CD 4.09Å; V200-K203 HydrophobicContact CB-CG 4.26Å; V200-K203 HydrophobicContact CG1-CD 4.03Å; V200-K203 HydrophobicContact CG1-CG 4.12Å; V200-K203 PolarHBondContact O-N 3.03Å; P201-K203 VanDerWaalsContact C-N 3.27Å; P201-K203 PolarHBondContact O-N 3.24Å
204A92.8Very high75.8Confident8 Ų877.3 Ų77.37%0.06645%0.448CS..  trans-67.6138.4177.800000111.1I241 S242 L244 F359A204-I241 HydrophobicContact CB-CG2 4.37Å; A204-S242 WeakPolarHBondContact CA-O 3.45Å; A204-L244 HydrophobicContact CB-CD2 3.57Å; A204-F359 HydrophobicContact CB-CE2 4.26Å; A204-F359 HydrophobicContact CB-CZ 3.88Å; A204-F359 WeakPolarHBondContact O-CE1 3.35Å; A204-F359 VanDerWaalsContact O-CZ 3.26Å; A204-F359 WeakPolarHBondContact O-CZ 3.43Å
205Q95.9Very high78.3Confident71 Ų7174.9 Ų74.933%0.33243%0.425SS..EExtended strand (participates in β ladder)trans-105.8129.5168-67.3-178.1-2500108.4L199 Y207 I241 S242L199-Q205 HydrophobicContact CD2-CG 4.27Å; Q205-Y207 HydrophobicContact CB-CE2 4.05Å; Q205-I241 CarbonylContact O-C 3.56Å; Q205-I241 VanDerWaalsContact O-CA 3.31Å; Q205-I241 WeakPolarHBondContact O-CA 3.32Å; Q205-S242 PolarHBondContact N-O 2.92Å; Q205-S242 PolarHBondContact O-N 2.55Å
206V97.8Very high81.1Confident17 Ų1774.1 Ų74.110%0.10341%0.412CS..EExtended strand (participates in β ladder)trans-125.7128.8-176.1-179.10000110F239 I241 L337 F359 F361V206-F239 HydrophobicContact CG1-CB 4.1Å; V206-F239 HydrophobicContact CG1-CD1 3.91Å; V206-F239 HydrophobicContact CG1-CG 4.25Å; V206-I241 HydrophobicContact CG1-CG1 4.35Å; V206-I241 HydrophobicContact CG2-CD1 4.11Å; V206-I241 HydrophobicContact CG2-CG1 4.03Å; V206-I241 HydrophobicContact CG2-CG2 4.31Å; V206-L337 HydrophobicContact CG1-CD2 3.61Å; V206-L337 HydrophobicContact CG2-CD2 4.32Å; V206-F359 HydrophobicContact CB-CB 4.25Å; V206-F359 HydrophobicContact CB-CD1 3.8Å; V206-F359 HydrophobicContact CB-CD2 4.2Å; V206-F359 HydrophobicContact CB-CE1 4.24Å; V206-F359 HydrophobicContact CB-CG 3.79Å; V206-F359 HydrophobicContact CG1-CB 4.41Å; V206-F359 HydrophobicContact CG1-CG 4.4Å; V206-F359 HydrophobicContact CG2-CB 4.42Å; V206-F359 HydrophobicContact CG2-CD1 3.74Å; V206-F359 HydrophobicContact CG2-CD2 3.47Å; V206-F359 VanDerWaalsContact CG2-CD2 3.47Å; V206-F359 HydrophobicContact CG2-CE1 3.82Å; V206-F359 HydrophobicContact CG2-CE2 3.56Å; V206-F359 HydrophobicContact CG2-CG 3.58Å; V206-F359 HydrophobicContact CG2-CZ 3.75Å; V206-F361 HydrophobicContact CB-CZ 4.39Å; V206-F361 HydrophobicContact CG1-CE2 4.07Å; V206-F361 HydrophobicContact CG1-CZ 3.92Å
207Y98.1Very high83.9Confident124 Ų12467.2 Ų67.249%0.48638%0.38SS..EExtended strand (participates in β ladder)trans-116.9127.2179.6-60.6-88.9000110.2Q205 C209 F239 N240Q205-Y207 HydrophobicContact CB-CE2 4.05Å; Y207-C209 PolarHBondContact O-N 3.44Å; Y207-F239 VanDerWaalsContact O-CA 3.28Å; Y207-F239 WeakPolarHBondContact O-CA 3.35Å; Y207-N240 PolarHBondContact N-O 2.85Å; Y207-N240 PolarHBondContact O-N 3.01Å
208L98.6Very high86.9Confident14 Ų1464.4 Ų64.47%0.07336%0.355CS..EExtended strand (participates in β ladder)trans-72.9112.7173.9179.970.2000110.4R211 W214 F239 F361 E363 T364L208-R211 HydrophobicContact CB-CB 4.47Å; L208-R211 HydrophobicContact CD2-CB 4.2Å; L208-R211 HydrophobicContact CD2-CG 4.36Å; L208-R211 HydrophobicContact CG-CB 4.39Å; L208-R211 WeakPolarHBondContact O-CB 3.38Å; L208-W214 HydrophobicContact CD2-CB 4.2Å; L208-W214 HydrophobicContact CD2-CG 3.94Å; L208-F239 HydrophobicContact CD1-CD1 4.04Å; L208-F239 HydrophobicContact CD1-CE1 3.63Å; L208-F239 HydrophobicContact CD1-CZ 4.35Å; L208-F361 HydrophobicContact CB-CD1 3.75Å; L208-F361 HydrophobicContact CB-CE1 3.82Å; L208-F361 HydrophobicContact CB-CG 4.17Å; L208-F361 HydrophobicContact CB-CZ 4.28Å; L208-F361 HydrophobicContact CD2-CB 4.29Å; L208-F361 HydrophobicContact CD2-CD1 4.43Å; L208-F361 HydrophobicContact CD2-CG 4.42Å; L208-E363 HydrophobicContact CD2-CG 3.91Å; L208-E363 WeakPolarHBondContact CD2-OE1 3.45Å; L208-T364 HydrophobicContact CD1-CG2 3.95Å; L208-T364 HydrophobicContact CD2-CG2 3.53Å; L208-T364 HydrophobicContact CG-CG2 4.43Å
209C98.2Very high89.4Confident14 Ų1470.9 Ų70.910%0.09536%0.358CS..THydrogen-bonded Turntrans-69.9150.4173.5-660000110.7Y207 R211 S238 E303Y207-C209 PolarHBondContact O-N 3.44Å; C209-R211 PolarHBondContact O-N 3.34Å; C209-R211 VanDerWaalsContact O-N 3.15Å; C209-S238 WeakPolarHBondContact CB-O 3.15Å; C209-S238 PolarHBondContact N-O 2.95Å; C209-E303 HydrophobicContact CB-CG 4.24Å; C209-E303 WeakPolarHBondContact CB-OE2 3.29Å; C209-E303 PolarHBondContact SG-OE2 3.49Å
210N96.9Very high91.6Very high92 Ų9270.2 Ų70.249%0.49235%0.353SS..THydrogen-bonded Turntrans55.624.8-174.3-61.3-59.4000114.9P212 L213 W214N210-P212 VanDerWaalsContact C-N 3.29Å; N210-P212 VanDerWaalsContact O-N 3.13Å; N210-L213 HydrophobicContact CB-CB 4.42Å; N210-L213 WeakPolarHBondContact O-CA 3.46Å; N210-L213 WeakPolarHBondContact O-CB 3.37Å; N210-L213 PolarHBondContact O-N 3.44Å; N210-W214 PolarHBondContact O-N 3.01Å
211R98Very high93.6Very high113 Ų11370.1 Ų70.143%0.42635%0.346SS..Hα-helixtrans-47.1-38.2176.2-178.5170.3172.8123.3-6.7114.9L208 C209 L213 W214 L215 E363L208-R211 HydrophobicContact CB-CB 4.47Å; L208-R211 HydrophobicContact CD2-CB 4.2Å; L208-R211 HydrophobicContact CD2-CG 4.36Å; L208-R211 HydrophobicContact CG-CB 4.39Å; L208-R211 WeakPolarHBondContact O-CB 3.38Å; C209-R211 PolarHBondContact O-N 3.34Å; C209-R211 VanDerWaalsContact O-N 3.15Å; R211-L213 VanDerWaalsContact C-N 3.29Å; R211-L213 PolarHBondContact O-N 3.23Å; R211-W214 PolarHBondContact O-N 3.18Å; R211-L215 HydrophobicContact CG-CD1 4.04Å; R211-L215 HydrophobicContact CG-CG 4.33Å; R211-L215 WeakPolarHBondContact O-CG 3.28Å; R211-L215 PolarHBondContact O-N 3.02Å; R211-E363 WeakPolarHBondContact CD-OE1 3.36Å; R211-E363 HydrophobicContact CG-CG 4.45Å; R211-E363 IonicContact CZ-OE1 2.62Å; R211-E363 IonicContact CZ-OE2 3.28Å; R211-E363 IonicContact NE-OE1 3.92Å; R211-E363 PolarHBondContact NE-OE1 3.14Å; R211-E363 VanDerWaalsContact NH1-CD 3.26Å; R211-E363 IonicContact NH1-OE1 3.9Å; R211-E363 PolarHBondContact NH1-OE1 3.31Å; R211-E363 IonicContact NH1-OE2 3.45Å; R211-E363 PolarHBondContact NH1-OE2 3.14Å; R211-E363 IonicContact NH2-OE2 3.18Å
212P98.5Very high95.7Very high101 Ų10164.2 Ų64.266%0.65631%0.308SS*.Hα-helixtrans-60.6-33.9173.9-25.936.3000114.2N210 K216N210-P212 VanDerWaalsContact C-N 3.29Å; N210-P212 VanDerWaalsContact O-N 3.13Å; P212-K216 PolarHBondContact O-N 3.29Å; P212-K216 VanDerWaalsContact O-N 3.15Å
213L98.5Very high97.2Very high33 Ų3362.2 Ų62.217%0.17329%0.287CS..Hα-helixtrans-73.3-41.8175.4-177.960000111.3N210 R211 L215 K216 F217 F234 P235 H384N210-L213 HydrophobicContact CB-CB 4.42Å; N210-L213 WeakPolarHBondContact O-CA 3.46Å; N210-L213 WeakPolarHBondContact O-CB 3.37Å; N210-L213 PolarHBondContact O-N 3.44Å; R211-L213 VanDerWaalsContact C-N 3.29Å; R211-L213 PolarHBondContact O-N 3.23Å; L213-L215 VanDerWaalsContact C-N 3.29Å; L213-L215 PolarHBondContact O-N 3.39Å; L213-K216 HydrophobicContact CD1-CD 4.32Å; L213-K216 WeakPolarHBondContact O-CB 3.09Å; L213-K216 PolarHBondContact O-N 3.49Å; L213-K216 VanDerWaalsContact O-N 3.13Å; L213-F217 HydrophobicContact CD1-CD2 4.13Å; L213-F217 HydrophobicContact CD1-CE2 3.83Å; L213-F217 HydrophobicContact CG-CD2 4.24Å; L213-F217 HydrophobicContact CG-CE2 4.13Å; L213-F217 WeakPolarHBondContact O-CD2 3.48Å; L213-F217 PolarHBondContact O-N 2.83Å; L213-F234 HydrophobicContact CD2-CZ 4.39Å; L213-P235 HydrophobicContact CD2-CB 4.32Å; L213-P235 HydrophobicContact CD2-CG 3.96Å; L213-P235 HydrophobicContact CG-CG 3.87Å; L213-H384 HydrophobicContact CD1-CB 3.99Å; L213-H384 WeakPolarHBondContact CD1-CD2 3.4Å; L213-H384 HydrophobicContact CD2-CB 4.43Å
214W98.7Very high97.9Very high0 Ų056.1 Ų56.10%026%0.261CS..Hα-helixtrans-56.5-44.2171.5-79.5105.5000111.7L208 N210 R211 K216 F217 H218 T222 M224 M233 P235 L237 E363 T364L208-W214 HydrophobicContact CD2-CB 4.2Å; L208-W214 HydrophobicContact CD2-CG 3.94Å; N210-W214 PolarHBondContact O-N 3.01Å; R211-W214 PolarHBondContact O-N 3.18Å; W214-K216 VanDerWaalsContact C-N 3.33Å; W214-K216 PolarHBondContact O-N 3.35Å; W214-F217 PolarHBondContact O-N 3.08Å; W214-H218 WeakPolarHBondContact O-CB 3.45Å; W214-H218 PolarHBondContact O-N 2.85Å; W214-T222 HydrophobicContact CZ3-CG2 4.46Å; W214-M224 HydrophobicContact CH2-CE 3.8Å; W214-M224 HydrophobicContact CZ3-CE 3.92Å; W214-M233 HydrophobicContact CH2-CE 4.36Å; W214-P235 HydrophobicContact CD2-CB 4.17Å; W214-P235 HydrophobicContact CD2-CG 4.32Å; W214-P235 HydrophobicContact CH2-CB 4.44Å; W214-P235 WeakPolarHBondContact CH2-O 3.44Å; W214-P235 HydrophobicContact CZ2-CB 3.9Å; W214-P235 WeakPolarHBondContact CZ2-O 3.44Å; W214-L237 HydrophobicContact CH2-CD2 3.94Å; W214-L237 HydrophobicContact CH2-CG 4.44Å; W214-L237 HydrophobicContact CZ2-CD2 3.65Å; W214-L237 HydrophobicContact CZ2-CG 4.16Å; W214-E363 HydrophobicContact CB-CG 4.03Å; W214-T364 HydrophobicContact CD2-CG2 3.85Å; W214-T364 HydrophobicContact CE3-CG2 3.96Å; W214-T364 HydrophobicContact CG-CG2 4.29Å; W214-T364 HydrophobicContact CH2-CG2 4.42Å; W214-T364 HydrophobicContact CZ2-CG2 4.32Å; W214-T364 HydrophobicContact CZ3-CG2 4.25Å
215L98.6Very high98.2Very high68 Ų6857.1 Ų57.136%0.35627%0.265SS..Hα-helixtrans-64.3-30.9175.8-70.7168.3000113.6R211 L213 R219 E363R211-L215 HydrophobicContact CG-CD1 4.04Å; R211-L215 HydrophobicContact CG-CG 4.33Å; R211-L215 WeakPolarHBondContact O-CG 3.28Å; R211-L215 PolarHBondContact O-N 3.02Å; L213-L215 VanDerWaalsContact C-N 3.29Å; L213-L215 PolarHBondContact O-N 3.39Å; L215-R219 WeakPolarHBondContact O-CG 3.45Å; L215-R219 PolarHBondContact O-N 3.25Å; L215-E363 HydrophobicContact CD2-CB 3.78Å; L215-E363 HydrophobicContact CD2-CG 4.29Å; L215-E363 HydrophobicContact CG-CB 4.4Å; L215-E363 HydrophobicContact CG-CG 4.49Å
216K98.4Very high98.3Very high95 Ų9553.8 Ų53.841%0.41325%0.25SC..Hα-helixtrans-61.7-53.4169.5-70-170.7-174.7-173.70110.8P212 L213 W214 H218 R219 H220 L380 H384P212-K216 PolarHBondContact O-N 3.29Å; P212-K216 VanDerWaalsContact O-N 3.15Å; L213-K216 HydrophobicContact CD1-CD 4.32Å; L213-K216 WeakPolarHBondContact O-CB 3.09Å; L213-K216 PolarHBondContact O-N 3.49Å; L213-K216 VanDerWaalsContact O-N 3.13Å; W214-K216 VanDerWaalsContact C-N 3.33Å; W214-K216 PolarHBondContact O-N 3.35Å; K216-H218 PolarHBondContact O-N 2.74Å; K216-R219 PolarHBondContact O-N 2.68Å; K216-H220 PolarHBondContact O-CD2 3.22Å; K216-L380 HydrophobicContact CB-CD2 4.5Å; K216-L380 HydrophobicContact CD-CD2 4.42Å; K216-H384 PolarHBondContact NZ-NE2 3.03Å
217F98.7Very high98.2Very high0 Ų055.3 Ų55.30%026%0.259CS..Hα-helixtrans-63.8-39.6-179.4-80.8-78.6000112.7L213 W214 R219 H220 Q221 T222 F234 P235 I377 L380 K381L213-F217 HydrophobicContact CD1-CD2 4.13Å; L213-F217 HydrophobicContact CD1-CE2 3.83Å; L213-F217 HydrophobicContact CG-CD2 4.24Å; L213-F217 HydrophobicContact CG-CE2 4.13Å; L213-F217 WeakPolarHBondContact O-CD2 3.48Å; L213-F217 PolarHBondContact O-N 2.83Å; W214-F217 PolarHBondContact O-N 3.08Å; F217-R219 VanDerWaalsContact C-N 3.29Å; F217-R219 PolarHBondContact O-N 3.15Å; F217-H220 PolarHBondContact O-N 2.78Å; F217-H220 VanDerWaalsContact O-N 3.14Å; F217-Q221 PolarHBondContact O-N 3.49Å; F217-T222 VanDerWaalsContact C-OG1 3.24Å; F217-T222 HydrophobicContact CB-CG2 4.08Å; F217-T222 PolarHBondContact O-N 3.17Å; F217-T222 VanDerWaalsContact O-N 3.14Å; F217-T222 PolarHBondContact O-OG1 2.83Å; F217-F234 HydrophobicContact CE2-CD1 4.32Å; F217-F234 AromaticContact CE2-CE1 3.9Å; F217-F234 HydrophobicContact CE2-CE1 3.9Å; F217-F234 HydrophobicContact CZ-CD1 4.02Å; F217-F234 AromaticContact CZ-CE1 3.82Å; F217-F234 HydrophobicContact CZ-CE1 3.82Å; F217-P235 VanDerWaalsContact CD2-CD 3.48Å; F217-P235 HydrophobicContact CD2-CG 3.49Å; F217-P235 VanDerWaalsContact CD2-CG 3.49Å; F217-P235 HydrophobicContact CE2-CG 3.62Å; F217-P235 HydrophobicContact CG-CG 4.43Å; F217-I377 HydrophobicContact CD1-CD1 3.95Å; F217-L380 HydrophobicContact CD1-CB 4.01Å; F217-L380 HydrophobicContact CD1-CD1 4.21Å; F217-L380 HydrophobicContact CE1-CB 3.4Å; F217-L380 HydrophobicContact CE1-CD1 4.44Å; F217-L380 HydrophobicContact CE2-CB 4.36Å; F217-L380 VanDerWaalsContact CZ-C 3.48Å; F217-L380 HydrophobicContact CZ-CB 3.62Å; F217-L380 WeakPolarHBondContact CZ-O 3.24Å; F217-K381 HydrophobicContact CE1-CD 3.68Å; F217-K381 HydrophobicContact CE1-CG 4.07Å; F217-K381 HydrophobicContact CZ-CD 3.98Å; F217-K381 HydrophobicContact CZ-CG 4.47Å
218H98.4Very high98Very high68 Ų6857.1 Ų57.132%0.31527%0.269SS..Hα-helixtrans-61.1-36.4-177.9-16879.8000112.8W214 K216 H220 Q221 T222 P362 E363W214-H218 WeakPolarHBondContact O-CB 3.45Å; W214-H218 PolarHBondContact O-N 2.85Å; K216-H218 PolarHBondContact O-N 2.74Å; H218-H220 PolarHBondContact O-N 3.24Å; H218-Q221 PolarHBondContact O-N 3.28Å; H218-T222 WeakPolarHBondContact CA-OG1 3.27Å; H218-T222 PolarHBondContact N-OG1 2.91Å; H218-P362 PolarHBondContact CE1-O 3.4Å; H218-E363 HydrophobicContact CB-CB 4.36Å; H218-E363 WeakPolarHBondContact ND1-CA 3.21Å; H218-E363 PolarHBondContact ND1-O 2.74Å
219R98.1Very high97.7Very high207 Ų20764.1 Ų64.178%0.78130%0.302SS*.Hα-helixtrans-59.1-31.7176.5-75168.3178.2-177.7-1.2113.7L215 K216 F217L215-R219 WeakPolarHBondContact O-CG 3.45Å; L215-R219 PolarHBondContact O-N 3.25Å; K216-R219 PolarHBondContact O-N 2.68Å; F217-R219 VanDerWaalsContact C-N 3.29Å; F217-R219 PolarHBondContact O-N 3.15Å
220H97.8Very high97.5Very high71 Ų7164 Ų6433%0.32930%0.303SS..THydrogen-bonded Turntrans-101.216.5178.9-59.9-99.7000112.3K216 F217 H218 N374 D376 I377K216-H220 PolarHBondContact O-CD2 3.22Å; F217-H220 PolarHBondContact O-N 2.78Å; F217-H220 VanDerWaalsContact O-N 3.14Å; H218-H220 PolarHBondContact O-N 3.24Å; H220-N374 PolarHBondContact O-ND2 2.86Å; H220-D376 HydrophobicContact CB-CB 4.24Å; H220-D376 IonicContact CE1-OD2 3.49Å; H220-D376 PolarHBondContact CE1-OD2 3.12Å; H220-D376 IonicContact CG-OD2 2.83Å; H220-D376 VanDerWaalsContact ND1-CB 3.3Å; H220-D376 WeakPolarHBondContact ND1-CB 3.47Å; H220-D376 IonicContact ND1-OD2 2.78Å; H220-D376 PolarHBondContact ND1-OD2 3.4Å; H220-I377 HydrophobicContact CB-CD1 3.66Å; H220-I377 HydrophobicContact CB-CG1 4.02Å
221Q98.1Very high97.5Very high79 Ų7966.4 Ų66.437%0.36931%0.305SS..  trans57.975-175.6-57-177.9-81.700113F217 H218 E223F217-Q221 PolarHBondContact O-N 3.49Å; H218-Q221 PolarHBondContact O-N 3.28Å; Q221-E223 PolarHBondContact O-N 2.91Å
222T98.7Very high97.4Very high1 Ų167.9 Ų67.91%0.00631%0.311CS..  trans-29.1122-179.8-47.50000114.4W214 F217 H218 M224 Q365 F366 I367W214-T222 HydrophobicContact CZ3-CG2 4.46Å; F217-T222 VanDerWaalsContact C-OG1 3.24Å; F217-T222 HydrophobicContact CB-CG2 4.08Å; F217-T222 PolarHBondContact O-N 3.17Å; F217-T222 VanDerWaalsContact O-N 3.14Å; F217-T222 PolarHBondContact O-OG1 2.83Å; H218-T222 WeakPolarHBondContact CA-OG1 3.27Å; H218-T222 PolarHBondContact N-OG1 2.91Å; T222-M224 HydrophobicContact CG2-CE 3.91Å; T222-Q365 WeakPolarHBondContact CB-O 3.44Å; T222-Q365 PolarHBondContact OG1-O 3.42Å; T222-F366 HydrophobicContact CG2-CB 3.81Å; T222-F366 CarbonylContact O-C 3.54Å; T222-F366 WeakPolarHBondContact O-CA 3.42Å; T222-F366 VanDerWaalsContact O-CB 3.27Å; T222-F366 WeakPolarHBondContact O-CB 3.4Å; T222-I367 PolarHBondContact O-N 3.49Å
223E98.9Very high97.4Very high0 Ų063.6 Ų63.60%028%0.282CS..EExtended strand (participates in β ladder)trans-107144.5172.4-55.5177.1-166.400111.1Q221 W271 I367 V369 Y372 Q373 N374 I377 K381Q221-E223 PolarHBondContact O-N 2.91Å; E223-W271 HydrophobicContact CG-CZ2 4.09Å; E223-I367 CarbonylContact C-O 3.6Å; E223-I367 WeakPolarHBondContact CA-O 3.35Å; E223-V369 HydrophobicContact CB-CG1 4.43Å; E223-V369 HydrophobicContact CB-CG2 3.96Å; E223-Y372 HydrophobicContact CB-CD1 4.03Å; E223-Y372 HydrophobicContact CB-CE1 4.38Å; E223-Y372 WeakPolarHBondContact OE2-CA 3.3Å; E223-Q373 PolarHBondContact OE1-N 2.79Å; E223-Q373 PolarHBondContact OE2-N 3.5Å; E223-N374 VanDerWaalsContact OE1-CB 3.3Å; E223-N374 WeakPolarHBondContact OE1-CB 3.37Å; E223-N374 PolarHBondContact OE1-N 3.03Å; E223-I377 HydrophobicContact CB-CG2 4.02Å; E223-I377 HydrophobicContact CG-CG1 4.32Å; E223-I377 HydrophobicContact CG-CG2 4.26Å; E223-K381 WeakPolarHBondContact O-CE 3.45Å; E223-K381 PolarHBondContact O-NZ 2.98Å
224M98.8Very high97.4Very high3 Ų363.2 Ų63.22%0.01528%0.279CS..EExtended strand (participates in β ladder)trans-125.6125.4172.6-65.6-7018000111.1W214 T222 M233 F234 L311 F366 I367 A368 V369W214-M224 HydrophobicContact CH2-CE 3.8Å; W214-M224 HydrophobicContact CZ3-CE 3.92Å; T222-M224 HydrophobicContact CG2-CE 3.91Å; M224-M233 HydrophobicContact CE-CB 4.32Å; M224-M233 HydrophobicContact CE-CE 3.96Å; M224-M233 HydrophobicContact CG-CE 4.42Å; M224-M233 HydrophobicContact SD-CB 4.1Å; M224-M233 HydrophobicContact SD-CE 4.47Å; M224-M233 HydrophobicContact SD-CG 4.46Å; M224-F234 WeakPolarHBondContact CE-O 3.46Å; M224-F234 PolarHBondContact SD-N 3.46Å; M224-L311 HydrophobicContact CB-CD1 3.79Å; M224-L311 HydrophobicContact CG-CD1 4.29Å; M224-F366 HydrophobicContact CB-CD2 3.51Å; M224-F366 HydrophobicContact CB-CE2 3.8Å; M224-F366 HydrophobicContact CB-CG 4.13Å; M224-F366 HydrophobicContact CG-CB 3.82Å; M224-F366 HydrophobicContact CG-CD1 4.1Å; M224-F366 HydrophobicContact CG-CD2 3.44Å; M224-F366 VanDerWaalsContact CG-CD2 3.44Å; M224-F366 HydrophobicContact CG-CE2 3.97Å; M224-F366 HydrophobicContact CG-CG 3.52Å; M224-F366 HydrophobicContact CG-CZ 4.5Å; M224-I367 PolarHBondContact N-O 3.29Å; M224-A368 WeakPolarHBondContact O-CA 3.2Å; M224-V369 PolarHBondContact O-N 2.88Å
225I98.6Very high97.4Very high28 Ų2863.4 Ų63.414%0.14428%0.28CS..EExtended strand (participates in β ladder)trans-67.6132.8176.8-65.4-76.1000110.1T227 R231 V369 Y372I225-T227 HydrophobicContact CG2-CG2 3.85Å; I225-R231 HydrophobicContact CB-CG 4.12Å; I225-R231 HydrophobicContact CG2-CB 4.32Å; I225-R231 HydrophobicContact CG2-CG 3.95Å; I225-R231 WeakPolarHBondContact O-CB 3.45Å; I225-V369 CarbonylContact C-O 3.55Å; I225-V369 VanDerWaalsContact CA-O 3.24Å; I225-V369 WeakPolarHBondContact CA-O 3.35Å; I225-V369 HydrophobicContact CD1-CG2 4.12Å; I225-Y372 HydrophobicContact CD1-CD1 4.03Å; I225-Y372 HydrophobicContact CD1-CD2 4.29Å; I225-Y372 HydrophobicContact CD1-CE1 3.98Å; I225-Y372 HydrophobicContact CD1-CE2 4.24Å; I225-Y372 HydrophobicContact CD1-CG 4.17Å; I225-Y372 HydrophobicContact CG1-CD1 4.12Å; I225-Y372 HydrophobicContact CG1-CE1 3.54Å; I225-Y372 HydrophobicContact CG1-CE2 3.98Å; I225-Y372 VanDerWaalsContact CG1-CZ 3.45Å
226I97.7Very high97.4Very high2 Ų263.8 Ų63.81%0.0128%0.279CS..  trans-118.8138.917268.4178.8000110.6L311 N313 L327 A368 V369 T370I226-L311 HydrophobicContact CG2-CB 3.77Å; I226-L311 HydrophobicContact CG2-CD1 4.48Å; I226-N313 HydrophobicContact CD1-CB 3.73Å; I226-N313 HydrophobicContact CG1-CB 4.04Å; I226-L327 HydrophobicContact CG2-CD1 4.38Å; I226-A368 HydrophobicContact CD1-CB 4.18Å; I226-A368 HydrophobicContact CG2-CB 3.98Å; I226-V369 PolarHBondContact N-O 2.84Å; I226-T370 HydrophobicContact CG1-CG2 4.47Å
227T96.3Very high97.4Very high48 Ų4859.4 Ų59.429%0.29426%0.26SS..  trans-141.4161.7-176.669.50000112.5I225 Q229 G230 R231 T312 N313I225-T227 HydrophobicContact CG2-CG2 3.85Å; T227-Q229 VanDerWaalsContact C-N 3.26Å; T227-Q229 PolarHBondContact O-N 3.02Å; T227-G230 PolarHBondContact O-N 2.77Å; T227-G230 PolarHBondContact OG1-N 3.32Å; T227-R231 HydrophobicContact CG2-CB 4.26Å; T227-T312 WeakPolarHBondContact O-CA 3.5Å; T227-T312 VanDerWaalsContact O-CB 3.28Å; T227-T312 WeakPolarHBondContact O-CB 3.37Å; T227-T312 PolarHBondContact O-OG1 3.12Å; T227-N313 VanDerWaalsContact C-OD1 3.26Å
228K93.4Very high97.4Very high162 Ų16259.4 Ų59.470%0.70426%0.261SS*.THydrogen-bonded Turntrans-57.5-33.7179.2-173.5178.1178.6-178.70113.9N313 N314K228-N313 PolarHBondContact N-OD1 3.04Å; K228-N314 HydrophobicContact CG-CB 4.48Å
229Q92.5Very high97.4Very high162 Ų16256.3 Ų56.376%0.75725%0.246SC*.THydrogen-bonded Turntrans-92.2-1.9178.2-62.6-179.8-0.400113.9T227 K310T227-Q229 VanDerWaalsContact C-N 3.26Å; T227-Q229 PolarHBondContact O-N 3.02Å; Q229-K310 PolarHBondContact O-NZ 3Å
230G94.3Very high97.4Very high12 Ų1249.9 Ų49.912%0.12423%0.227CC..  trans79.1137.1-174.200000114T227 L311T227-G230 PolarHBondContact O-N 2.77Å; T227-G230 PolarHBondContact OG1-N 3.32Å; G230-L311 CarbonylContact C-O 3.47Å; G230-L311 VanDerWaalsContact CA-O 3.29Å; G230-L311 WeakPolarHBondContact CA-O 3.46Å
231R96.6Very high97.4Very high141 Ų14147 Ų4753%0.53221%0.214SC..EExtended strand (participates in β ladder)trans-119.1137177.6-171.871.4173.8-177-2.2110.1I225 T227 K310 L311I225-R231 HydrophobicContact CB-CG 4.12Å; I225-R231 HydrophobicContact CG2-CB 4.32Å; I225-R231 HydrophobicContact CG2-CG 3.95Å; I225-R231 WeakPolarHBondContact O-CB 3.45Å; T227-R231 HydrophobicContact CG2-CB 4.26Å; R231-K310 CarbonylContact O-C 3.59Å; R231-K310 WeakPolarHBondContact O-CA 3.42Å; R231-L311 PolarHBondContact N-O 3.3Å; R231-L311 PolarHBondContact O-N 3.13Å
232R97.1Very high97.3Very high144 Ų14444.5 Ų44.554%0.54321%0.206SC..EExtended strand (participates in β ladder)trans-66.7143.6173.7-73.4176.9176.5176.12111G307 L309R232-G307 WeakPolarHBondContact CD-O 3.31Å; R232-G307 PolarHBondContact NE-O 3Å; R232-L309 WeakPolarHBondContact CA-O 3.44Å
233M98.2Very high97.2Very high12 Ų1245.7 Ų45.76%0.05922%0.218CC..  trans-64.8147.8173.4-63-178.374.300111.2W214 M224 P235 L237 L309 L311 P335 F366W214-M233 HydrophobicContact CH2-CE 4.36Å; M224-M233 HydrophobicContact CE-CB 4.32Å; M224-M233 HydrophobicContact CE-CE 3.96Å; M224-M233 HydrophobicContact CG-CE 4.42Å; M224-M233 HydrophobicContact SD-CB 4.1Å; M224-M233 HydrophobicContact SD-CE 4.47Å; M224-M233 HydrophobicContact SD-CG 4.46Å; M233-P235 CarbonylContact C-O 3.57Å; M233-L237 HydrophobicContact CE-CD1 4.22Å; M233-L237 HydrophobicContact CE-CG 4.33Å; M233-L237 HydrophobicContact SD-CD1 4.09Å; M233-L237 HydrophobicContact SD-CG 4.42Å; M233-L309 HydrophobicContact CG-CD2 4.33Å; M233-L309 HydrophobicContact SD-CD2 3.94Å; M233-L311 HydrophobicContact CE-CD1 4.49Å; M233-L311 HydrophobicContact CG-CD1 3.76Å; M233-L311 HydrophobicContact CG-CD2 4.26Å; M233-L311 HydrophobicContact CG-CG 3.84Å; M233-L311 HydrophobicContact SD-CD1 4.31Å; M233-L311 HydrophobicContact SD-CD2 4.24Å; M233-L311 HydrophobicContact SD-CG 4.42Å; M233-P335 HydrophobicContact CE-CG 4.48Å; M233-F366 HydrophobicContact CE-CD1 4.07Å; M233-F366 HydrophobicContact CE-CE1 3.73Å; M233-F366 HydrophobicContact CE-CZ 4.37Å
234F98.5Very high97Very high24 Ų2446.2 Ų46.211%0.10522%0.221CC..SBendtrans-145.8120.3166.8-172.3-86.3000111L213 F217 M224 K381 H384 N385L213-F234 HydrophobicContact CD2-CZ 4.39Å; F217-F234 HydrophobicContact CE2-CD1 4.32Å; F217-F234 AromaticContact CE2-CE1 3.9Å; F217-F234 HydrophobicContact CE2-CE1 3.9Å; F217-F234 HydrophobicContact CZ-CD1 4.02Å; F217-F234 AromaticContact CZ-CE1 3.82Å; F217-F234 HydrophobicContact CZ-CE1 3.82Å; M224-F234 WeakPolarHBondContact CE-O 3.46Å; M224-F234 PolarHBondContact SD-N 3.46Å; F234-K381 HydrophobicContact CD1-CD 3.95Å; F234-K381 PolarHBondContact O-NZ 2.9Å; F234-H384 HydrophobicContact CE1-CB 3.91Å; F234-H384 HydrophobicContact CZ-CB 3.86Å; F234-H384 VanDerWaalsContact CZ-O 3.29Å; F234-H384 WeakPolarHBondContact CZ-O 3.33Å; F234-N385 HydrophobicContact CD1-CB 3.96Å; F234-N385 HydrophobicContact CD2-CB 3.91Å; F234-N385 HydrophobicContact CE1-CB 3.86Å; F234-N385 HydrophobicContact CE2-CB 3.8Å; F234-N385 HydrophobicContact CG-CB 4Å; F234-N385 HydrophobicContact CZ-CB 3.8Å
235P98.3Very high96.7Very high5 Ų549.6 Ų49.63%0.03224%0.239CC..SBendcis-56.9152.4-7.7-20.734000111.2L213 W214 F217 M233L213-P235 HydrophobicContact CD2-CB 4.32Å; L213-P235 HydrophobicContact CD2-CG 3.96Å; L213-P235 HydrophobicContact CG-CG 3.87Å; W214-P235 HydrophobicContact CD2-CB 4.17Å; W214-P235 HydrophobicContact CD2-CG 4.32Å; W214-P235 HydrophobicContact CH2-CB 4.44Å; W214-P235 WeakPolarHBondContact CH2-O 3.44Å; W214-P235 HydrophobicContact CZ2-CB 3.9Å; W214-P235 WeakPolarHBondContact CZ2-O 3.44Å; F217-P235 VanDerWaalsContact CD2-CD 3.48Å; F217-P235 HydrophobicContact CD2-CG 3.49Å; F217-P235 VanDerWaalsContact CD2-CG 3.49Å; F217-P235 HydrophobicContact CE2-CG 3.62Å; F217-P235 HydrophobicContact CG-CG 4.43Å; M233-P235 CarbonylContact C-O 3.57Å
236F98Very high96.6Very high76 Ų7651.7 Ų51.733%0.33325%0.254SS..PPolyproline II helixtrans-85.2154.1171.953.4-96.1000109.9S238 S305F236-S238 WeakPolarHBondContact CE2-OG 3.26Å; F236-S305 WeakPolarHBondContact CD2-OG 3.17Å; F236-S305 VanDerWaalsContact CE2-OG 3.25Å; F236-S305 WeakPolarHBondContact CE2-OG 3.27Å
237L98.6Very high96.4Very high2 Ų256.6 Ų56.61%0.0128%0.284CS..PPolyproline II helixtrans-72.8131.9174.9-63.1164.6000108.6W214 M233 F239 V254 F306 P335 T364W214-L237 HydrophobicContact CH2-CD2 3.94Å; W214-L237 HydrophobicContact CH2-CG 4.44Å; W214-L237 HydrophobicContact CZ2-CD2 3.65Å; W214-L237 HydrophobicContact CZ2-CG 4.16Å; M233-L237 HydrophobicContact CE-CD1 4.22Å; M233-L237 HydrophobicContact CE-CG 4.33Å; M233-L237 HydrophobicContact SD-CD1 4.09Å; M233-L237 HydrophobicContact SD-CG 4.42Å; L237-F239 HydrophobicContact CB-CE2 3.86Å; L237-F239 HydrophobicContact CB-CZ 3.98Å; L237-F239 HydrophobicContact CD2-CZ 4.21Å; L237-V254 HydrophobicContact CD1-CG1 3.91Å; L237-V254 HydrophobicContact CD1-CG2 4.37Å; L237-F306 HydrophobicContact CB-CB 4.13Å; L237-F306 WeakPolarHBondContact O-CB 3.48Å; L237-F306 PolarHBondContact O-N 3.13Å; L237-P335 HydrophobicContact CD1-CB 3.61Å; L237-P335 HydrophobicContact CD1-CG 4.02Å; L237-P335 HydrophobicContact CD2-CB 4.18Å; L237-P335 HydrophobicContact CD2-CG 4.27Å; L237-T364 HydrophobicContact CD2-CG2 3.89Å
238S98.5Very high96.3Very high1 Ų155.1 Ų55.11%0.00728%0.277CS..EExtended strand (participates in β ladder)trans-155.9135.3-174.7-1260000108.4C209 F236 E303 I304 S305C209-S238 WeakPolarHBondContact CB-O 3.15Å; C209-S238 PolarHBondContact N-O 2.95Å; F236-S238 WeakPolarHBondContact CE2-OG 3.26Å; S238-E303 WeakPolarHBondContact CB-OE1 3.45Å; S238-E303 PolarHBondContact OG-OE1 2.82Å; S238-I304 CarbonylContact C-O 3.53Å; S238-I304 VanDerWaalsContact CA-O 3.31Å; S238-I304 WeakPolarHBondContact CA-O 3.42Å; S238-S305 WeakPolarHBondContact OG-CA 3.11Å; S238-S305 WeakPolarHBondContact OG-CB 3.48Å; S238-S305 PolarHBondContact OG-OG 3.49Å
239F98.6Very high96.3Very high3 Ų351.2 Ų51.21%0.01326%0.261CS..EExtended strand (participates in β ladder)trans-142.3146.4-167.7-50.9-85.4000112.7V206 Y207 L208 L237 V254 I304 F306 L337 F361V206-F239 HydrophobicContact CG1-CB 4.1Å; V206-F239 HydrophobicContact CG1-CD1 3.91Å; V206-F239 HydrophobicContact CG1-CG 4.25Å; Y207-F239 VanDerWaalsContact O-CA 3.28Å; Y207-F239 WeakPolarHBondContact O-CA 3.35Å; L208-F239 HydrophobicContact CD1-CD1 4.04Å; L208-F239 HydrophobicContact CD1-CE1 3.63Å; L208-F239 HydrophobicContact CD1-CZ 4.35Å; L237-F239 HydrophobicContact CB-CE2 3.86Å; L237-F239 HydrophobicContact CB-CZ 3.98Å; L237-F239 HydrophobicContact CD2-CZ 4.21Å; F239-V254 HydrophobicContact CE2-CG2 4.47Å; F239-I304 PolarHBondContact N-O 3.44Å; F239-I304 PolarHBondContact O-N 3.24Å; F239-F306 HydrophobicContact CD2-CD2 4.02Å; F239-F306 AromaticContact CD2-CE2 3.93Å; F239-F306 HydrophobicContact CD2-CE2 3.93Å; F239-F306 AromaticContact CE2-CD2 3.84Å; F239-F306 HydrophobicContact CE2-CD2 3.84Å; F239-F306 AromaticContact CE2-CE2 3.93Å; F239-F306 HydrophobicContact CE2-CE2 3.93Å; F239-L337 HydrophobicContact CB-CD2 4.38Å; F239-L337 HydrophobicContact CD1-CD2 4.27Å; F239-L337 HydrophobicContact CD2-CD1 3.99Å; F239-L337 HydrophobicContact CD2-CD2 3.94Å; F239-L337 HydrophobicContact CD2-CG 4.48Å; F239-L337 HydrophobicContact CE2-CB 4.35Å; F239-L337 HydrophobicContact CE2-CD1 3.81Å; F239-L337 HydrophobicContact CE2-CD2 4.25Å; F239-L337 HydrophobicContact CE2-CG 4.37Å; F239-L337 HydrophobicContact CG-CD2 3.95Å; F239-L337 HydrophobicContact CZ-CB 4.19Å; F239-L337 HydrophobicContact CZ-CD1 4.48Å; F239-F361 AromaticContact CD1-CE2 3.95Å; F239-F361 HydrophobicContact CD1-CE2 3.95Å; F239-F361 HydrophobicContact CD1-CZ 4.45Å; F239-F361 AromaticContact CE1-CD2 3.76Å; F239-F361 HydrophobicContact CE1-CD2 3.76Å; F239-F361 AromaticContact CE1-CE2 3.58Å; F239-F361 HydrophobicContact CE1-CE2 3.58Å; F239-F361 HydrophobicContact CE1-CZ 4.44Å
240N98.2Very high96.5Very high72 Ų7243.7 Ų43.739%0.38523%0.226SC..EExtended strand (participates in β ladder)trans-101.2141.2160.6-75.3-24.3000109.1Y207 E303Y207-N240 PolarHBondContact N-O 2.85Å; Y207-N240 PolarHBondContact O-N 3.01Å; N240-E303 VanDerWaalsContact OD1-CA 3.26Å; N240-E303 WeakPolarHBondContact OD1-CA 3.48Å; N240-E303 WeakPolarHBondContact OD1-CB 3.26Å; N240-E303 PolarHBondContact OD1-N 2.96Å
241I97.7Very high96.6Very high10 Ų1045 Ų455%0.05123%0.23CC..EExtended strand (participates in β ladder)trans-126.7142.6179.7-54.2-169.9000110.1A204 Q205 V206 L244 I252 M300 I304 L337 V339A204-I241 HydrophobicContact CB-CG2 4.37Å; Q205-I241 CarbonylContact O-C 3.56Å; Q205-I241 VanDerWaalsContact O-CA 3.31Å; Q205-I241 WeakPolarHBondContact O-CA 3.32Å; V206-I241 HydrophobicContact CG1-CG1 4.35Å; V206-I241 HydrophobicContact CG2-CD1 4.11Å; V206-I241 HydrophobicContact CG2-CG1 4.03Å; V206-I241 HydrophobicContact CG2-CG2 4.31Å; I241-L244 HydrophobicContact CG2-CD1 3.99Å; I241-L244 HydrophobicContact CG2-CD2 4.29Å; I241-L244 HydrophobicContact CG2-CG 3.98Å; I241-I252 HydrophobicContact CD1-CD1 3.83Å; I241-M300 WeakPolarHBondContact O-CG 3.28Å; I241-I304 HydrophobicContact CB-CD1 4.39Å; I241-I304 HydrophobicContact CD1-CD1 3.48Å; I241-I304 VanDerWaalsContact CD1-CD1 3.48Å; I241-I304 HydrophobicContact CG1-CD1 3.76Å; I241-L337 HydrophobicContact CD1-CD2 4.09Å; I241-V339 HydrophobicContact CD1-CG2 3.94Å
242S96.8Very high96.6Very high27 Ų2738.3 Ų38.319%0.18921%0.205CC..EExtended strand (participates in β ladder)trans-140.8164172.151.40000110.8A204 Q205A204-S242 WeakPolarHBondContact CA-O 3.45Å; Q205-S242 PolarHBondContact N-O 2.92Å; Q205-S242 PolarHBondContact O-N 2.55Å
243G94.9Very high96.6Very high26 Ų2633.6 Ų33.627%0.26819%0.188SC..SBendtrans83.312.2175.300000116M300G243-M300 PolarHBondContact N-SD 2.95Å; G243-M300 VanDerWaalsContact N-SD 3.42Å
244L94.7Very high96.6Very high11 Ų1133 Ų336%0.05819%0.185CC..SBendtrans-77.2158.8165.9-54.5178.9000110.4A204 I241 Y250 W299 M300 V339A204-L244 HydrophobicContact CB-CD2 3.57Å; I241-L244 HydrophobicContact CG2-CD1 3.99Å; I241-L244 HydrophobicContact CG2-CD2 4.29Å; I241-L244 HydrophobicContact CG2-CG 3.98Å; L244-Y250 HydrophobicContact CB-CD2 4.45Å; L244-Y250 HydrophobicContact CB-CE2 3.82Å; L244-Y250 HydrophobicContact CD1-CD2 4.11Å; L244-Y250 HydrophobicContact CD1-CE2 4.31Å; L244-Y250 HydrophobicContact CD1-CG 4.43Å; L244-Y250 HydrophobicContact CD2-CD1 4.33Å; L244-Y250 HydrophobicContact CD2-CE1 4.06Å; L244-Y250 HydrophobicContact CD2-CE2 4.39Å; L244-Y250 HydrophobicContact CG-CE2 4.4Å; L244-W299 HydrophobicContact CD1-CB 3.76Å; L244-W299 HydrophobicContact CD1-CG 4.41Å; L244-M300 HydrophobicContact CB-CE 4.02Å; L244-M300 HydrophobicContact CB-CG 4.35Å; L244-M300 HydrophobicContact CB-SD 3.95Å; L244-M300 HydrophobicContact CD1-CG 4.25Å; L244-M300 HydrophobicContact CG-CG 4.32Å; L244-M300 HydrophobicContact CG-SD 4.37Å; L244-M300 PolarHBondContact N-SD 3.21Å; L244-M300 VanDerWaalsContact O-CE 3.24Å; L244-M300 WeakPolarHBondContact O-CE 3.46Å; L244-V339 HydrophobicContact CD2-CG1 3.88Å
245D93.6Very high96.5Very high73 Ų7332.8 Ų32.839%0.3919%0.185SC..  trans-67128.1163.2-170.2-62.9000109T247 A248 Y250 G296D245-T247 PolarHBondContact O-N 2.86Å; D245-T247 WeakPolarHBondContact OD1-CA 3.46Å; D245-T247 WeakPolarHBondContact OD1-CB 3.28Å; D245-T247 PolarHBondContact OD1-N 3.42Å; D245-T247 PolarHBondContact OD1-OG1 3.28Å; D245-A248 HydrophobicContact CB-CB 3.86Å; D245-A248 PolarHBondContact OD1-N 2.95Å; D245-Y250 PolarHBondContact N-OH 3.1Å; D245-G296 VanDerWaalsContact O-CA 3.28Å; D245-G296 WeakPolarHBondContact O-CA 3.46Å
246P95.7Very high96.4Very high73 Ų7332.6 Ų32.647%0.47418%0.184SC..SBendtrans-59.9-28.6179.2-25.235.5000114.5A297 M300P246-A297 HydrophobicContact CB-CB 4.15Å; P246-A297 WeakPolarHBondContact O-CB 3.41Å; P246-A297 PolarHBondContact O-N 3.46Å; P246-M300 HydrophobicContact CG-CE 4.21Å
247T94.5Very high96.3Very high104 Ų10431.7 Ų31.764%0.63818%0.182SC*.SBendtrans-94.9-38.2-172.967.30000113.2D245D245-T247 PolarHBondContact O-N 2.86Å; D245-T247 WeakPolarHBondContact OD1-CA 3.46Å; D245-T247 WeakPolarHBondContact OD1-CB 3.28Å; D245-T247 PolarHBondContact OD1-N 3.42Å; D245-T247 PolarHBondContact OD1-OG1 3.28Å
248A93.1Very high96.2Very high17 Ų1733.6 Ų33.614%0.1419%0.192CC..SBendtrans-62.3151-18000000112D245 Y250 T295 G296 E341D245-A248 HydrophobicContact CB-CB 3.86Å; D245-A248 PolarHBondContact OD1-N 2.95Å; A248-Y250 HydrophobicContact CB-CE2 3.91Å; A248-Y250 WeakPolarHBondContact O-CD2 3.28Å; A248-Y250 WeakPolarHBondContact O-CE2 3.37Å; A248-T295 CarbonylContact O-C 3.58Å; A248-T295 WeakPolarHBondContact O-CA 3.4Å; A248-G296 PolarHBondContact O-N 2.88Å; A248-E341 HydrophobicContact CB-CG 4.29Å
249H94.6Very high96.1Very high81 Ų8135.3 Ų35.338%0.37521%0.207SC..EExtended strand (participates in β ladder)trans-94.4141.4179.1-7474.4000111.1N294 V342H249-N294 CarbonylContact C-O 3.58Å; H249-N294 WeakPolarHBondContact CA-O 3.22Å; H249-V342 HydrophobicContact CB-CB 4.04Å; H249-V342 HydrophobicContact CB-CG2 4.46Å; H249-V342 WeakPolarHBondContact O-CB 3.37Å; H249-V342 PolarHBondContact O-N 2.86Å
250Y95.7Very high96Very high3 Ų336.6 Ų36.61%0.01221%0.213CC..EExtended strand (participates in β ladder)trans-131.6137.4-179.4-60.6-89.7000111.2L244 D245 A248 P293 N294 W299 V339 V340 E341L244-Y250 HydrophobicContact CB-CD2 4.45Å; L244-Y250 HydrophobicContact CB-CE2 3.82Å; L244-Y250 HydrophobicContact CD1-CD2 4.11Å; L244-Y250 HydrophobicContact CD1-CE2 4.31Å; L244-Y250 HydrophobicContact CD1-CG 4.43Å; L244-Y250 HydrophobicContact CD2-CD1 4.33Å; L244-Y250 HydrophobicContact CD2-CE1 4.06Å; L244-Y250 HydrophobicContact CD2-CE2 4.39Å; L244-Y250 HydrophobicContact CG-CE2 4.4Å; D245-Y250 PolarHBondContact N-OH 3.1Å; A248-Y250 HydrophobicContact CB-CE2 3.91Å; A248-Y250 WeakPolarHBondContact O-CD2 3.28Å; A248-Y250 WeakPolarHBondContact O-CE2 3.37Å; Y250-P293 WeakPolarHBondContact O-CA 3.32Å; Y250-N294 PolarHBondContact N-O 2.95Å; Y250-N294 PolarHBondContact O-N 2.8Å; Y250-W299 PolarHBondContact O-NE1 3.21Å; Y250-V339 HydrophobicContact CD1-CG1 3.75Å; Y250-V339 HydrophobicContact CE1-CG1 4.49Å; Y250-V339 HydrophobicContact CG-CG1 4.26Å; Y250-V340 CarbonylContact C-O 3.53Å; Y250-V340 VanDerWaalsContact CA-O 3.27Å; Y250-V340 WeakPolarHBondContact CA-O 3.41Å; Y250-E341 HydrophobicContact CD1-CB 3.9Å; Y250-E341 HydrophobicContact CD1-CG 4.04Å; Y250-E341 HydrophobicContact CE1-CB 3.65Å; Y250-E341 HydrophobicContact CE1-CG 3.53Å; Y250-E341 WeakPolarHBondContact CE1-OE2 3.35Å; Y250-E341 VanDerWaalsContact CZ-OE2 3.24Å; Y250-E341 PolarHBondContact OH-OE2 3.46Å
251N96.2Very high95.8Very high40 Ų4036.9 Ų36.921%0.21422%0.219CC..EExtended strand (participates in β ladder)trans-87.6135.3159.5-76.4-48.3000109M288 P293 V340N251-M288 HydrophobicContact CB-SD 4.38Å; N251-P293 WeakPolarHBondContact OD1-CA 3.3Å; N251-P293 WeakPolarHBondContact OD1-CB 3.45Å; N251-V340 PolarHBondContact N-O 3.28Å; N251-V340 PolarHBondContact O-N 3.06Å
252I97.3Very high95.7Very high0 Ų038.2 Ų38.20%023%0.227CC..EExtended strand (participates in β ladder)trans-126.9124.5176.5-57.2-167000109.6I241 H289 S292 W299 I304 F306 L337 H338 V339I241-I252 HydrophobicContact CD1-CD1 3.83Å; I252-H289 WeakPolarHBondContact O-CB 3.13Å; I252-H289 PolarHBondContact O-N 3.42Å; I252-S292 PolarHBondContact N-OG 2.92Å; I252-S292 PolarHBondContact O-OG 2.92Å; I252-W299 HydrophobicContact CB-CH2 4.17Å; I252-W299 HydrophobicContact CB-CZ2 4.13Å; I252-W299 HydrophobicContact CB-CZ3 4.45Å; I252-W299 HydrophobicContact CD1-CB 3.91Å; I252-W299 HydrophobicContact CD1-CD2 3.43Å; I252-W299 VanDerWaalsContact CD1-CD2 3.43Å; I252-W299 HydrophobicContact CD1-CE3 3.88Å; I252-W299 HydrophobicContact CD1-CG 3.46Å; I252-W299 VanDerWaalsContact CD1-CG 3.46Å; I252-W299 HydrophobicContact CD1-CZ2 4.37Å; I252-W299 HydrophobicContact CD1-CZ3 4.5Å; I252-W299 HydrophobicContact CG1-CD2 3.99Å; I252-W299 HydrophobicContact CG1-CE3 4.46Å; I252-W299 HydrophobicContact CG1-CG 4.32Å; I252-W299 HydrophobicContact CG1-CH2 4.46Å; I252-W299 HydrophobicContact CG1-CZ2 4Å; I252-I304 HydrophobicContact CD1-CD1 3.95Å; I252-F306 HydrophobicContact CG2-CZ 4.23Å; I252-L337 HydrophobicContact CG2-CD1 3.75Å; I252-L337 HydrophobicContact CG2-CG 4.37Å; I252-H338 WeakPolarHBondContact CA-O 3.31Å; I252-V339 HydrophobicContact CD1-CG1 4.23Å; I252-V339 HydrophobicContact CD1-CG2 4.13Å; I252-V339 HydrophobicContact CG1-CG1 4.23Å; I252-V339 HydrophobicContact CG1-CG2 4.33Å
253F97.1Very high95.7Very high45 Ų4540.1 Ų40.120%0.19723%0.232CC..EExtended strand (participates in β ladder)trans-145.4162.1-175.264.5-98.7000112.6V286 Y287 M288 H338 V340F253-V286 HydrophobicContact CB-CG1 4.27Å; F253-V286 HydrophobicContact CD2-CG1 3.66Å; F253-V286 HydrophobicContact CE2-CG1 4.25Å; F253-V286 HydrophobicContact CG-CG1 4.16Å; F253-Y287 VanDerWaalsContact CA-O 3.31Å; F253-Y287 WeakPolarHBondContact CA-O 3.4Å; F253-Y287 VanDerWaalsContact CB-O 3.3Å; F253-Y287 WeakPolarHBondContact CB-O 3.49Å; F253-M288 HydrophobicContact CB-SD 4.16Å; F253-M288 HydrophobicContact CD1-SD 4.33Å; F253-H338 HydrophobicContact CD1-CB 4.23Å; F253-H338 HydrophobicContact CD2-CB 3.85Å; F253-H338 AromaticContact CD2-CD2 3.65Å; F253-H338 AromaticContact CD2-CG 3.96Å; F253-H338 HydrophobicContact CE1-CB 3.92Å; F253-H338 HydrophobicContact CE2-CB 3.5Å; F253-H338 AromaticContact CE2-CD2 3.37Å; F253-H338 WeakPolarHBondContact CE2-CD2 3.48Å; F253-H338 AromaticContact CE2-CG 3.41Å; F253-H338 VanDerWaalsContact CE2-CG 3.41Å; F253-H338 HydrophobicContact CG-CB 4.21Å; F253-H338 HydrophobicContact CZ-CB 3.54Å; F253-H338 AromaticContact CZ-CG 3.81Å; F253-H338 PolarHBondContact N-O 3.09Å; F253-H338 VanDerWaalsContact N-O 3.08Å; F253-H338 PolarHBondContact O-N 3.38Å; F253-V340 HydrophobicContact CE1-CG2 3.6Å; F253-V340 HydrophobicContact CZ-CG2 4.15Å
254V97.8Very high95.9Very high0 Ų040.7 Ų40.70%023%0.226CC..EExtended strand (participates in β ladder)trans-114.5132.9173.3166.90000109.3L237 F239 V256 V286 Y287 F306 L309 P335 R336 L337L237-V254 HydrophobicContact CD1-CG1 3.91Å; L237-V254 HydrophobicContact CD1-CG2 4.37Å; F239-V254 HydrophobicContact CE2-CG2 4.47Å; V254-V256 HydrophobicContact CG1-CG2 4.29Å; V254-V286 CarbonylContact O-C 3.6Å; V254-V286 WeakPolarHBondContact O-CA 3.38Å; V254-Y287 PolarHBondContact N-O 2.83Å; V254-Y287 PolarHBondContact O-N 2.91Å; V254-F306 HydrophobicContact CB-CD1 4.29Å; V254-F306 HydrophobicContact CB-CE1 4.18Å; V254-F306 HydrophobicContact CG2-CD1 3.82Å; V254-F306 HydrophobicContact CG2-CD2 4.13Å; V254-F306 HydrophobicContact CG2-CE1 3.66Å; V254-F306 HydrophobicContact CG2-CE2 3.98Å; V254-F306 HydrophobicContact CG2-CG 4.06Å; V254-F306 HydrophobicContact CG2-CZ 3.74Å; V254-L309 HydrophobicContact CB-CD1 4.37Å; V254-L309 HydrophobicContact CG1-CD1 4.31Å; V254-P335 HydrophobicContact CG1-CB 4.32Å; V254-R336 VanDerWaalsContact CA-O 3.28Å; V254-R336 WeakPolarHBondContact CA-O 3.25Å; V254-L337 HydrophobicContact CG2-CD1 3.8Å
255D96.4Very high96Very high20 Ų2045.5 Ų45.511%0.10724%0.244CC..EExtended strand (participates in β ladder)trans-105.1158160.985.1-32.7000111I257 R285 V286 P335 R336 H338D255-I257 VanDerWaalsContact OD2-CG2 3.28Å; D255-I257 WeakPolarHBondContact OD2-CG2 3.45Å; D255-R285 WeakPolarHBondContact CA-O 3.42Å; D255-V286 HydrophobicContact CB-CG2 4.1Å; D255-P335 WeakPolarHBondContact O-CA 3.36Å; D255-R336 PolarHBondContact N-O 3.07Å; D255-R336 VanDerWaalsContact N-O 3.07Å; D255-R336 PolarHBondContact O-N 2.84Å; D255-R336 VanDerWaalsContact OD1-CB 3.31Å; D255-R336 WeakPolarHBondContact OD1-CB 3.08Å; D255-R336 VanDerWaalsContact OD1-CD 3.3Å; D255-R336 WeakPolarHBondContact OD1-CD 3.43Å; D255-R336 IonicContact OD1-CZ 3.93Å; D255-R336 IonicContact OD1-NE 3.8Å; D255-R336 IonicContact OD1-NH1 3.46Å; D255-R336 PolarHBondContact OD1-NH1 3.46Å; D255-R336 IonicContact OD2-CZ 3.74Å; D255-R336 IonicContact OD2-NH1 3.81Å; D255-R336 PolarHBondContact OD2-NH1 2.95Å; D255-H338 VanDerWaalsContact CG-NE2 3.27Å; D255-H338 IonicContact OD1-CD2 3.58Å; D255-H338 IonicContact OD1-CE1 3.71Å; D255-H338 IonicContact OD1-NE2 3.86Å; D255-H338 PolarHBondContact OD1-NE2 3.22Å; D255-H338 IonicContact OD2-NE2 2.77Å
256V96.9Very high96.3Very high0 Ų044.2 Ų44.20%024%0.235CC..EExtended strand (participates in β ladder)trans-126103.8177.1-175.60000109.2V254 R285 V325 L327 Y333 F366V254-V256 HydrophobicContact CG1-CG2 4.29Å; V256-R285 PolarHBondContact N-O 2.8Å; V256-R285 VanDerWaalsContact N-O 3.11Å; V256-R285 PolarHBondContact O-NH1 3.32Å; V256-V325 HydrophobicContact CB-CG1 3.93Å; V256-V325 HydrophobicContact CG2-CG1 3.95Å; V256-L327 HydrophobicContact CB-CD2 4.25Å; V256-L327 HydrophobicContact CG1-CD1 4.47Å; V256-L327 HydrophobicContact CG1-CD2 3.74Å; V256-Y333 HydrophobicContact CG1-CD1 3.95Å; V256-Y333 HydrophobicContact CG1-CG 4.02Å; V256-F366 HydrophobicContact CG1-CE1 4.31Å; V256-F366 HydrophobicContact CG1-CZ 4.09Å
257I95.8Very high96.3Very high58 Ų5845.3 Ų45.330%0.29723%0.234SC..EExtended strand (participates in β ladder)trans-95.7160.9178.864.2164.3000111.2D255 Y333 Q334D255-I257 VanDerWaalsContact OD2-CG2 3.28Å; D255-I257 WeakPolarHBondContact OD2-CG2 3.45Å; I257-Y333 CarbonylContact O-C 3.42Å; I257-Y333 VanDerWaalsContact O-CA 3.22Å; I257-Y333 WeakPolarHBondContact O-CA 3.38Å; I257-Y333 WeakPolarHBondContact O-CB 3.25Å; I257-Y333 WeakPolarHBondContact O-CD1 3.41Å; I257-Q334 HydrophobicContact CG1-CB 4.07Å; I257-Q334 WeakPolarHBondContact CG1-O 3.12Å; I257-Q334 PolarHBondContact N-O 3.08Å; I257-Q334 VanDerWaalsContact N-O 3.09Å; I257-Q334 PolarHBondContact O-N 3.21Å
258L96.2Very high96.3Very high41 Ų4144.3 Ų44.322%0.21524%0.244CC..EExtended strand (participates in β ladder)trans-66.1138.1167.5-75.1167.7000109.2A277 V281 H331 Y333L258-A277 HydrophobicContact CD1-CB 4.39Å; L258-V281 HydrophobicContact CD1-CG2 4.01Å; L258-H331 HydrophobicContact CD2-CB 3.97Å; L258-Y333 HydrophobicContact CD2-CD1 4.01Å; L258-Y333 HydrophobicContact CD2-CE1 3.48Å; L258-Y333 VanDerWaalsContact CD2-CE1 3.48Å; L258-Y333 HydrophobicContact CG-CD1 4.47Å; L258-Y333 HydrophobicContact CG-CE1 4.08Å
259A96.6Very high96.4Very high38 Ų3846.1 Ų46.131%0.31426%0.264SS..EExtended strand (participates in β ladder)trans-89-26.2177.600000112.7K332 Q334A259-K332 HydrophobicContact CB-CB 4.27Å; A259-K332 HydrophobicContact CB-CD 4.1Å; A259-K332 HydrophobicContact CB-CG 4.01Å; A259-K332 PolarHBondContact N-O 3.28Å; A259-Q334 HydrophobicContact CB-CB 4.2Å
260D95.3Very high96.6Very high29 Ų2949.2 Ų49.216%0.15528%0.277CS..EExtended strand (participates in β ladder)trans-153.7160.9175.767.675.3000110.5N262 W264 K332D260-N262 VanDerWaalsContact C-N 3.27Å; D260-N262 PolarHBondContact O-N 2.86Å; D260-N262 VanDerWaalsContact OD1-CB 3.29Å; D260-N262 WeakPolarHBondContact OD1-CB 3.31Å; D260-N262 PolarHBondContact OD1-N 2.99Å; D260-N262 PolarHBondContact OD1-ND2 2.88Å; D260-W264 PolarHBondContact OD1-NE1 3.23Å; D260-W264 WeakPolarHBondContact OD2-CZ2 3.42Å; D260-W264 PolarHBondContact OD2-NE1 3.23Å; D260-K332 VanDerWaalsContact OD2-CB 3.32Å; D260-K332 WeakPolarHBondContact OD2-CB 3.22Å; D260-K332 WeakPolarHBondContact OD2-CD 3.3Å
261P95.2Very high96.7Very high79 Ų7949.8 Ų49.851%0.51328%0.279SS..EExtended strand (participates in β ladder)trans-89.124.9-174.637.4-37.6000113.3K276 A277P261-K276 WeakPolarHBondContact O-CA 3.26Å; P261-K276 WeakPolarHBondContact O-CD 3.43Å; P261-A277 PolarHBondContact O-N 3.13Å
262N96.2Very high96.7Very high38 Ų3850.1 Ų50.120%0.20328%0.282CS..EExtended strand (participates in β ladder)trans-106.4144.8-177-45.2-71.6000111.7D260 W264 P273 G275D260-N262 VanDerWaalsContact C-N 3.27Å; D260-N262 PolarHBondContact O-N 2.86Å; D260-N262 VanDerWaalsContact OD1-CB 3.29Å; D260-N262 WeakPolarHBondContact OD1-CB 3.31Å; D260-N262 PolarHBondContact OD1-N 2.99Å; D260-N262 PolarHBondContact OD1-ND2 2.88Å; N262-W264 VanDerWaalsContact O-CD1 3.25Å; N262-P273 HydrophobicContact CB-CB 4.05Å; N262-G275 WeakPolarHBondContact CA-O 3.29Å
263H96.7Very high96.8Very high67 Ų6753.7 Ų53.731%0.3131%0.306SS..EExtended strand (participates in β ladder)trans-86.1134.1160.2-174.8-150.6000107.4C274 G275 L330 H331H263-C274 PolarHBondContact O-N 3.02Å; H263-C274 PolarHBondContact O-SG 3.2Å; H263-G275 PolarHBondContact N-O 3.31Å; H263-G275 PolarHBondContact O-N 3.36Å; H263-L330 PolarHBondContact CD2-O 3.02Å; H263-H331 AromaticContact CD2-CE1 3.54Å; H263-H331 AromaticContact CD2-ND1 3.95Å
264W98Very high96.7Very high37 Ų3754.1 Ų54.114%0.1431%0.314CS..EExtended strand (participates in β ladder)trans-111.4159.3-171.2-69.783.6000112.4D260 N262 W271 V272 L330D260-W264 PolarHBondContact OD1-NE1 3.23Å; D260-W264 WeakPolarHBondContact OD2-CZ2 3.42Å; D260-W264 PolarHBondContact OD2-NE1 3.23Å; N262-W264 VanDerWaalsContact O-CD1 3.25Å; W264-W271 HydrophobicContact CB-CE3 3.87Å; W264-W271 HydrophobicContact CB-CZ3 4.05Å; W264-W271 HydrophobicContact CE3-CB 3.94Å; W264-W271 HydrophobicContact CZ3-CB 4.2Å; W264-V272 CarbonylContact C-O 3.58Å; W264-L330 WeakPolarHBondContact CB-O 3.42Å; W264-L330 PolarHBondContact N-O 2.95Å; W264-L330 WeakPolarHBondContact O-CB 3.41Å
265R97.9Very high96.5Very high112 Ų11255.8 Ų55.842%0.42333%0.33SS..EExtended strand (participates in β ladder)trans-143.9150.9167.166.3-174.5-174.5-1629.2110.5Q267 V272 C274R265-Q267 HydrophobicContact CG-CG 4.17Å; R265-V272 HydrophobicContact CG-CG2 3.61Å; R265-V272 PolarHBondContact N-O 2.77Å; R265-V272 PolarHBondContact O-N 3.26Å; R265-C274 HydrophobicContact CB-CB 4.37Å; R265-C274 HydrophobicContact CG-CB 3.82Å
266F98.2Very high96.4Very high46 Ų4662.2 Ų62.220%0.20236%0.357CS..EExtended strand (participates in β ladder)trans-95.6121.2174-165-111.4000109.7G269 K270 W271 Q373 N374F266-G269 VanDerWaalsContact CE2-C 3.46Å; F266-G269 WeakPolarHBondContact CZ-O 3.24Å; F266-K270 WeakPolarHBondContact CA-O 3.31Å; F266-K270 VanDerWaalsContact CD2-C 3.49Å; F266-W271 HydrophobicContact CB-CD2 4.22Å; F266-W271 HydrophobicContact CB-CE3 4.18Å; F266-W271 HydrophobicContact CB-CH2 4.36Å; F266-W271 HydrophobicContact CB-CZ2 4.35Å; F266-W271 HydrophobicContact CB-CZ3 4.26Å; F266-W271 AromaticContact CD2-CD1 3.64Å; F266-W271 AromaticContact CD2-CD2 3.87Å; F266-W271 HydrophobicContact CD2-CD2 3.87Å; F266-W271 AromaticContact CD2-CE2 3.81Å; F266-W271 AromaticContact CD2-CG 3.81Å; F266-W271 HydrophobicContact CD2-CG 3.81Å; F266-W271 AromaticContact CD2-NE1 3.61Å; F266-W271 AromaticContact CE2-CD1 3.93Å; F266-W271 HydrophobicContact CE2-CG 4.47Å; F266-W271 AromaticContact CE2-NE1 4Å; F266-Q373 HydrophobicContact CB-CB 3.59Å; F266-Q373 HydrophobicContact CB-CG 4.07Å; F266-Q373 HydrophobicContact CD1-CB 3.75Å; F266-Q373 HydrophobicContact CD2-CB 4.37Å; F266-Q373 HydrophobicContact CE1-CB 4.49Å; F266-Q373 VanDerWaalsContact CE1-O 3.27Å; F266-Q373 WeakPolarHBondContact CE1-O 3.44Å; F266-Q373 HydrophobicContact CG-CB 3.67Å; F266-N374 HydrophobicContact CE1-CB 4.47Å; F266-N374 HydrophobicContact CE2-CB 4.13Å; F266-N374 HydrophobicContact CZ-CB 3.83Å
267Q96.7Very high95.9Very high97 Ų9762.8 Ų62.845%0.45336%0.362SS..EExtended strand (participates in β ladder)trans-147.5138.5-179.3-71.3-172.1-30.500110.2R265 G269 K270R265-Q267 HydrophobicContact CG-CG 4.17Å; Q267-G269 PolarHBondContact O-N 2.88Å; Q267-K270 PolarHBondContact N-O 2.98Å; Q267-K270 PolarHBondContact O-N 2.82Å
268G95.3Very high95.2Very high83 Ų8363.1 Ų63.186%0.85637%0.365SS*.THydrogen-bonded Turntrans57.635178.900000113.9K270G268-K270 VanDerWaalsContact C-N 3.28Å; G268-K270 PolarHBondContact O-N 2.8Å
269G95.3Very high94.3Very high55 Ų5567.3 Ų67.357%0.56739%0.392SS*.THydrogen-bonded Turntrans72.911.3-176.500000115.2F266 Q267F266-G269 VanDerWaalsContact CE2-C 3.46Å; F266-G269 WeakPolarHBondContact CZ-O 3.24Å; Q267-G269 PolarHBondContact O-N 2.88Å
270K96.9Very high93.2Very high146 Ų14670.3 Ų70.364%0.63540%0.403SS*.EExtended strand (participates in β ladder)trans-134145.8-174.6-63.1178.9-176.4177.10112F266 Q267 G268F266-K270 WeakPolarHBondContact CA-O 3.31Å; F266-K270 VanDerWaalsContact CD2-C 3.49Å; Q267-K270 PolarHBondContact N-O 2.98Å; Q267-K270 PolarHBondContact O-N 2.82Å; G268-K270 VanDerWaalsContact C-N 3.28Å; G268-K270 PolarHBondContact O-N 2.8Å
271W98.2Very high91.9Very high14 Ų1470.2 Ų70.25%0.05340%0.403CS..EExtended strand (participates in β ladder)trans-78.6125.3168.1-76.2102.1000110.3E223 W264 F266 L330 I367 V369 Q373E223-W271 HydrophobicContact CG-CZ2 4.09Å; W264-W271 HydrophobicContact CB-CE3 3.87Å; W264-W271 HydrophobicContact CB-CZ3 4.05Å; W264-W271 HydrophobicContact CE3-CB 3.94Å; W264-W271 HydrophobicContact CZ3-CB 4.2Å; F266-W271 HydrophobicContact CB-CD2 4.22Å; F266-W271 HydrophobicContact CB-CE3 4.18Å; F266-W271 HydrophobicContact CB-CH2 4.36Å; F266-W271 HydrophobicContact CB-CZ2 4.35Å; F266-W271 HydrophobicContact CB-CZ3 4.26Å; F266-W271 AromaticContact CD2-CD1 3.64Å; F266-W271 AromaticContact CD2-CD2 3.87Å; F266-W271 HydrophobicContact CD2-CD2 3.87Å; F266-W271 AromaticContact CD2-CE2 3.81Å; F266-W271 AromaticContact CD2-CG 3.81Å; F266-W271 HydrophobicContact CD2-CG 3.81Å; F266-W271 AromaticContact CD2-NE1 3.61Å; F266-W271 AromaticContact CE2-CD1 3.93Å; F266-W271 HydrophobicContact CE2-CG 4.47Å; F266-W271 AromaticContact CE2-NE1 4Å; W271-L330 HydrophobicContact CH2-CD2 3.98Å; W271-L330 HydrophobicContact CZ3-CD2 4.06Å; W271-I367 HydrophobicContact CB-CD1 4.27Å; W271-I367 HydrophobicContact CD2-CD1 3.44Å; W271-I367 VanDerWaalsContact CD2-CD1 3.44Å; W271-I367 HydrophobicContact CE3-CD1 3.8Å; W271-I367 HydrophobicContact CG-CD1 3.67Å; W271-I367 HydrophobicContact CH2-CB 4.48Å; W271-I367 HydrophobicContact CH2-CD1 4.47Å; W271-I367 HydrophobicContact CH2-CG2 3.68Å; W271-I367 HydrophobicContact CZ2-CB 4.36Å; W271-I367 HydrophobicContact CZ2-CD1 4.2Å; W271-I367 HydrophobicContact CZ2-CG2 4.04Å; W271-I367 HydrophobicContact CZ3-CD1 4.29Å; W271-I367 HydrophobicContact CZ3-CG2 3.95Å; W271-V369 HydrophobicContact CH2-CG1 3.8Å; W271-V369 HydrophobicContact CZ2-CG1 4.04Å; W271-Q373 HydrophobicContact CH2-CB 4.24Å; W271-Q373 HydrophobicContact CH2-CG 3.62Å; W271-Q373 HydrophobicContact CZ2-CB 3.84Å; W271-Q373 HydrophobicContact CZ2-CG 3.67Å
272V97.7Very high91.1Very high47 Ų4771 Ų7129%0.28540%0.4SS..EExtended strand (participates in β ladder)trans-128.7144.1177.7-59.10000111W264 R265W264-V272 CarbonylContact C-O 3.58Å; R265-V272 HydrophobicContact CG-CG2 3.61Å; R265-V272 PolarHBondContact N-O 2.77Å; R265-V272 PolarHBondContact O-N 3.26Å
273P97.4Very high90.4Very high76 Ų7671.1 Ų71.149%0.49441%0.41SS..EExtended strand (participates in β ladder)trans-68.9143.3172.729.8-34.7000110.5N262N262-P273 HydrophobicContact CB-CB 4.05Å
274C95.8Very high90.1Very high54 Ų5470.3 Ų70.337%0.36541%0.408SS..EExtended strand (participates in β ladder)trans-133.2-4.9-177.467.70000114.4H263 R265H263-C274 PolarHBondContact O-N 3.02Å; H263-C274 PolarHBondContact O-SG 3.2Å; R265-C274 HydrophobicContact CB-CB 4.37Å; R265-C274 HydrophobicContact CG-CB 3.82Å
275G94.6Very high89.8Confident34 Ų3471.5 Ų71.535%0.35141%0.412SS..EExtended strand (participates in β ladder)trans-178.8-170.4178.400000111.4N262 H263N262-G275 WeakPolarHBondContact CA-O 3.29Å; H263-G275 PolarHBondContact N-O 3.31Å; H263-G275 PolarHBondContact O-N 3.36Å
276K92.7Very high89.6Confident155 Ų15568.9 Ų68.967%0.67441%0.409SS*.EExtended strand (participates in β ladder)trans-94.9150.3171.2-67.5-59.3-177.5-173.20111.4P261P261-K276 WeakPolarHBondContact O-CA 3.26Å; P261-K276 WeakPolarHBondContact O-CD 3.43Å
277A88.3Confident89.4Confident12 Ų1267.1 Ų67.110%0.09940%0.401CS..  trans-69.4143.4173.900000111.4L258 P261 T279 H331L258-A277 HydrophobicContact CD1-CB 4.39Å; P261-A277 PolarHBondContact O-N 3.13Å; A277-T279 PolarHBondContact O-N 3.17Å; A277-H331 VanDerWaalsContact CA-NE2 3.31Å; A277-H331 WeakPolarHBondContact CA-NE2 3.44Å; A277-H331 VanDerWaalsContact CB-CD2 3.42Å; A277-H331 WeakPolarHBondContact CB-CD2 3.5Å; A277-H331 WeakPolarHBondContact CB-NE2 3.45Å
278D80.9Confident89.4Confident66 Ų6667.2 Ų67.235%0.35340%0.403SS..  trans-69.1111.7166.6170.523.4000108.9N280 V281 K315 Q328D278-N280 PolarHBondContact O-N 2.94Å; D278-N280 VanDerWaalsContact OD1-CB 3.29Å; D278-N280 WeakPolarHBondContact OD1-CB 3.31Å; D278-N280 PolarHBondContact OD1-N 3.18Å; D278-V281 VanDerWaalsContact O-CG2 3.26Å; D278-V281 WeakPolarHBondContact O-CG2 3.42Å; D278-K315 IonicContact OD2-NZ 3.92Å; D278-Q328 PolarHBondContact OD2-NE2 2.89Å
279T75.5Confident89.4Confident129 Ų12963.8 Ų63.879%0.79136%0.364SS*.SBendtrans-74.1-17.3-178.4-53.20000111.7A277 V281A277-T279 PolarHBondContact O-N 3.17Å; T279-V281 PolarHBondContact O-N 2.92Å
280N75.3Confident89.5Confident101 Ų10164.6 Ų64.654%0.5436%0.36SS..  trans-80.762.2176.9-165.4-12.9000111.2D278 Q282D278-N280 PolarHBondContact O-N 2.94Å; D278-N280 VanDerWaalsContact OD1-CB 3.29Å; D278-N280 WeakPolarHBondContact OD1-CB 3.31Å; D278-N280 PolarHBondContact OD1-N 3.18Å; N280-Q282 PolarHBondContact O-N 2.9Å
281V68.2Low89.5Confident26 Ų2660.7 Ų60.716%0.15835%0.346CS..  trans-77.888.1-176.3-172.30000111L258 D278 T279 R285L258-V281 HydrophobicContact CD1-CG2 4.01Å; D278-V281 VanDerWaalsContact O-CG2 3.26Å; D278-V281 WeakPolarHBondContact O-CG2 3.42Å; T279-V281 PolarHBondContact O-N 2.92Å; V281-R285 VanDerWaalsContact CG2-NH2 3.33Å
282Q77Confident89.3Confident97 Ų9761.2 Ų61.245%0.45335%0.351SS..  trans-74.3137.3174-64.4156.7-14.300111.9N280 K315N280-Q282 PolarHBondContact O-N 2.9Å; Q282-K315 VanDerWaalsContact OE1-NZ 3.14Å
283G82.9Confident89.3Confident40 Ų4062.4 Ų62.441%0.41236%0.36SS..SBendtrans119.8170.8174.100000113.3R285G283-R285 PolarHBondContact O-N 3.47Å
284N88.5Confident89.3Confident49 Ų4960.8 Ų60.826%0.26235%0.347SS..  trans-69128.9179.6177.934.8000111.4V286 M324 V325 V326N284-V286 PolarHBondContact ND2-O 3.18Å; N284-V286 PolarHBondContact OD1-N 3.47Å; N284-V286 PolarHBondContact OD1-O 2.78Å; N284-M324 PolarHBondContact ND2-O 2.9Å; N284-V325 CarbonylContact O-C 3.47Å; N284-V325 WeakPolarHBondContact O-CA 3.37Å; N284-V326 PolarHBondContact O-N 3.01Å
285R91.8Very high89.3Confident62 Ų6259.9 Ų59.923%0.23434%0.34CS..  trans-104.3-10.3174.5-74-174.3177.3-97.419.4114.5D255 V256 V281 G283D255-R285 WeakPolarHBondContact CA-O 3.42Å; V256-R285 PolarHBondContact N-O 2.8Å; V256-R285 VanDerWaalsContact N-O 3.11Å; V256-R285 PolarHBondContact O-NH1 3.32Å; V281-R285 VanDerWaalsContact CG2-NH2 3.33Å; G283-R285 PolarHBondContact O-N 3.47Å
286V93.9Very high89.4Confident58 Ų5858.2 Ų58.235%0.35232%0.323SS..EExtended strand (participates in β ladder)trans-112.7139.1-167.9-179.20000110.8F253 V254 D255 N284F253-V286 HydrophobicContact CB-CG1 4.27Å; F253-V286 HydrophobicContact CD2-CG1 3.66Å; F253-V286 HydrophobicContact CE2-CG1 4.25Å; F253-V286 HydrophobicContact CG-CG1 4.16Å; V254-V286 CarbonylContact O-C 3.6Å; V254-V286 WeakPolarHBondContact O-CA 3.38Å; D255-V286 HydrophobicContact CB-CG2 4.1Å; N284-V286 PolarHBondContact ND2-O 3.18Å; N284-V286 PolarHBondContact OD1-N 3.47Å; N284-V286 PolarHBondContact OD1-O 2.78Å
287Y95.5Very high89.6Confident9 Ų952.4 Ų52.44%0.03530%0.304CS..EExtended strand (participates in β ladder)trans-124.8112.4171.3-179.8-83.4000109.5F253 V254 F306 K308 L309 Q323F253-Y287 VanDerWaalsContact CA-O 3.31Å; F253-Y287 WeakPolarHBondContact CA-O 3.4Å; F253-Y287 VanDerWaalsContact CB-O 3.3Å; F253-Y287 WeakPolarHBondContact CB-O 3.49Å; V254-Y287 PolarHBondContact N-O 2.83Å; V254-Y287 PolarHBondContact O-N 2.91Å; Y287-F306 AromaticContact CD1-CD1 3.54Å; Y287-F306 HydrophobicContact CD1-CD1 3.54Å; Y287-F306 AromaticContact CD1-CE1 3.9Å; Y287-F306 HydrophobicContact CD1-CE1 3.9Å; Y287-F306 AromaticContact CE1-CD1 3.78Å; Y287-F306 HydrophobicContact CE1-CD1 3.78Å; Y287-F306 HydrophobicContact CE1-CE1 4.28Å; Y287-K308 WeakPolarHBondContact OH-CB 3.47Å; Y287-L309 HydrophobicContact CD1-CB 4.16Å; Y287-L309 HydrophobicContact CD1-CD1 3.95Å; Y287-L309 HydrophobicContact CD1-CG 4.12Å; Y287-L309 HydrophobicContact CD2-CB 3.99Å; Y287-L309 HydrophobicContact CD2-CD1 4.37Å; Y287-L309 HydrophobicContact CD2-CG 3.76Å; Y287-L309 HydrophobicContact CE1-CB 4.21Å; Y287-L309 HydrophobicContact CE2-CB 4.05Å; Y287-L309 HydrophobicContact CE2-CG 4.34Å; Y287-L309 HydrophobicContact CG-CB 4.04Å; Y287-L309 HydrophobicContact CG-CD1 3.73Å; Y287-L309 HydrophobicContact CG-CG 3.64Å; Y287-Q323 WeakPolarHBondContact CD2-O 3.46Å; Y287-Q323 HydrophobicContact CE2-CB 4.26Å; Y287-Q323 WeakPolarHBondContact CE2-O 3.43Å
288M95.4Very high90.1Very high99 Ų9953.8 Ų53.849%0.48831%0.308SS..EExtended strand (participates in β ladder)trans-70.7134.1171.9-162.782.885.300109.8N251 F253N251-M288 HydrophobicContact CB-SD 4.38Å; F253-M288 HydrophobicContact CB-SD 4.16Å; F253-M288 HydrophobicContact CD1-SD 4.33Å
289H96.7Very high90.9Very high11 Ų1150.8 Ų50.85%0.05129%0.292CS..  trans-65.1131168.8-168.7-88.9000108.8I252 D291 S292 W299 S305 F306I252-H289 WeakPolarHBondContact O-CB 3.13Å; I252-H289 PolarHBondContact O-N 3.42Å; H289-D291 VanDerWaalsContact CE1-CG 3.44Å; H289-D291 IonicContact CE1-OD1 3.94Å; H289-D291 IonicContact CE1-OD2 4Å; H289-D291 PolarHBondContact ND1-N 3.06Å; H289-D291 IonicContact ND1-OD1 3.27Å; H289-D291 PolarHBondContact O-N 2.79Å; H289-S292 VanDerWaalsContact O-CB 3.25Å; H289-S292 WeakPolarHBondContact O-CB 3.29Å; H289-S292 PolarHBondContact O-N 2.94Å; H289-S292 PolarHBondContact O-OG 3.07Å; H289-W299 HydrophobicContact CB-CH2 4.04Å; H289-W299 HydrophobicContact CB-CZ3 4.38Å; H289-W299 AromaticContact CE1-CZ3 3.93Å; H289-W299 AromaticContact CG-CH2 3.97Å; H289-W299 AromaticContact CG-CZ3 3.92Å; H289-W299 AromaticContact ND1-CH2 3.48Å; H289-W299 WeakPolarHBondContact ND1-CH2 3.42Å; H289-W299 AromaticContact ND1-CZ3 3.38Å; H289-W299 WeakPolarHBondContact ND1-CZ3 3.43Å; H289-S305 PolarHBondContact NE2-O 3.11Å; H289-F306 HydrophobicContact CB-CE1 3.94Å; H289-F306 HydrophobicContact CB-CZ 3.94Å
290P95.6Very high92Very high72 Ų7247.6 Ų47.647%0.46827%0.269SS..THydrogen-bonded Turntrans-62.2-20.6-17023.7-35.4000114.5S292P290-S292 VanDerWaalsContact C-N 3.26Å; P290-S292 PolarHBondContact O-N 2.83Å
291D96.8Very high93.1Very high64 Ų6450.5 Ų50.534%0.34227%0.272SS..THydrogen-bonded Turntrans-84.12.7178.7-52.211.5000112.8H289 P293 N294 H298 W299H289-D291 VanDerWaalsContact CE1-CG 3.44Å; H289-D291 IonicContact CE1-OD1 3.94Å; H289-D291 IonicContact CE1-OD2 4Å; H289-D291 PolarHBondContact ND1-N 3.06Å; H289-D291 IonicContact ND1-OD1 3.27Å; H289-D291 PolarHBondContact O-N 2.79Å; D291-P293 CarbonylContact O-C 3.58Å; D291-N294 WeakPolarHBondContact O-CB 3.47Å; D291-N294 PolarHBondContact O-ND2 3.43Å; D291-H298 IonicContact OD2-CE1 3.73Å; D291-H298 IonicContact OD2-NE2 3.52Å; D291-H298 PolarHBondContact OD2-NE2 3.27Å; D291-W299 HydrophobicContact CB-CH2 3.91Å; D291-W299 HydrophobicContact CB-CZ3 4.2Å
292S95.5Very high94.4Very high24 Ų2455.8 Ų55.817%0.16830%0.295CS..  trans-85144-179.1-51.20000112.8I252 H289 P290 W299I252-S292 PolarHBondContact N-OG 2.92Å; I252-S292 PolarHBondContact O-OG 2.92Å; H289-S292 VanDerWaalsContact O-CB 3.25Å; H289-S292 WeakPolarHBondContact O-CB 3.29Å; H289-S292 PolarHBondContact O-N 2.94Å; H289-S292 PolarHBondContact O-OG 3.07Å; P290-S292 VanDerWaalsContact C-N 3.26Å; P290-S292 PolarHBondContact O-N 2.83Å; S292-W299 WeakPolarHBondContact OG-CH2 3.28Å
293P96Very high95.4Very high73 Ų7354.5 Ų54.547%0.47429%0.289SS..SBendcis-74.4152.5-8.131.2-35.5000111.9Y250 N251 D291 V342Y250-P293 WeakPolarHBondContact O-CA 3.32Å; N251-P293 WeakPolarHBondContact OD1-CA 3.3Å; N251-P293 WeakPolarHBondContact OD1-CB 3.45Å; D291-P293 CarbonylContact O-C 3.58Å; P293-V342 HydrophobicContact CB-CG2 4.21Å
294N97.6Very high96.1Very high42 Ų4253 Ų5323%0.22527%0.271CS..EExtended strand (participates in β ladder)trans-147.5159173.3-131.4-65000113.2H249 Y250 D291 H298 W299H249-N294 CarbonylContact C-O 3.58Å; H249-N294 WeakPolarHBondContact CA-O 3.22Å; Y250-N294 PolarHBondContact N-O 2.95Å; Y250-N294 PolarHBondContact O-N 2.8Å; D291-N294 WeakPolarHBondContact O-CB 3.47Å; D291-N294 PolarHBondContact O-ND2 3.43Å; N294-H298 HydrophobicContact CB-CB 3.93Å; N294-H298 VanDerWaalsContact CG-CG 3.43Å; N294-H298 WeakPolarHBondContact OD1-CB 3.38Å; N294-W299 HydrophobicContact CB-CD2 4.43Å; N294-W299 HydrophobicContact CB-CZ2 3.84Å; N294-W299 PolarHBondContact O-NE1 3.31Å
295T96.6Very high96.6Very high34 Ų3452.8 Ų52.821%0.20927%0.274CS..EExtended strand (participates in β ladder)trans-54.7147.517454.60000112.3A248 A297 H298 W299A248-T295 CarbonylContact O-C 3.58Å; A248-T295 WeakPolarHBondContact O-CA 3.4Å; T295-A297 PolarHBondContact O-N 3.27Å; T295-H298 WeakPolarHBondContact O-CA 3.49Å; T295-H298 VanDerWaalsContact O-CB 3.31Å; T295-H298 WeakPolarHBondContact O-CB 3.13Å; T295-H298 PolarHBondContact O-N 2.89Å; T295-H298 PolarHBondContact OG1-N 2.82Å; T295-W299 PolarHBondContact O-N 2.8Å
296G96.5Very high96.9Very high0 Ų050 Ų500%026%0.264CS..Hα-helixtrans-59.1-31.1171.500000112.3D245 A248 H298 W299 M300D245-G296 VanDerWaalsContact O-CA 3.28Å; D245-G296 WeakPolarHBondContact O-CA 3.46Å; A248-G296 PolarHBondContact O-N 2.88Å; G296-H298 PolarHBondContact O-N 3.14Å; G296-W299 PolarHBondContact O-N 2.68Å; G296-M300 WeakPolarHBondContact O-CB 3.31Å; G296-M300 WeakPolarHBondContact O-CG 3.46Å; G296-M300 PolarHBondContact O-N 2.9Å
297A97.8Very high97Very high32 Ų3248.2 Ų48.226%0.26426%0.257SS..Hα-helixtrans-61.3-26.9169.800000113.7P246 T295 R301P246-A297 HydrophobicContact CB-CB 4.15Å; P246-A297 WeakPolarHBondContact O-CB 3.41Å; P246-A297 PolarHBondContact O-N 3.46Å; T295-A297 PolarHBondContact O-N 3.27Å; A297-R301 VanDerWaalsContact O-CG 3.24Å; A297-R301 WeakPolarHBondContact O-CG 3.28Å; A297-R301 PolarHBondContact O-NH1 3.18Å; A297-R301 VanDerWaalsContact O-NH1 3.13Å
298H98.3Very high97Very high41 Ų4153.8 Ų53.819%0.1928%0.281CS..Hα-helixtrans-73.8-48.4171.6-17892.8000111.8D291 N294 T295 G296 M300 R301D291-H298 IonicContact OD2-CE1 3.73Å; D291-H298 IonicContact OD2-NE2 3.52Å; D291-H298 PolarHBondContact OD2-NE2 3.27Å; N294-H298 HydrophobicContact CB-CB 3.93Å; N294-H298 VanDerWaalsContact CG-CG 3.43Å; N294-H298 WeakPolarHBondContact OD1-CB 3.38Å; T295-H298 WeakPolarHBondContact O-CA 3.49Å; T295-H298 VanDerWaalsContact O-CB 3.31Å; T295-H298 WeakPolarHBondContact O-CB 3.13Å; T295-H298 PolarHBondContact O-N 2.89Å; T295-H298 PolarHBondContact OG1-N 2.82Å; G296-H298 PolarHBondContact O-N 3.14Å; H298-M300 VanDerWaalsContact C-N 3.29Å; H298-M300 PolarHBondContact O-N 3.41Å; H298-R301 VanDerWaalsContact CA-CZ 3.45Å; H298-R301 VanDerWaalsContact CA-NH2 3.33Å; H298-R301 VanDerWaalsContact CB-NH2 3.33Å; H298-R301 PolarHBondContact ND1-NH2 3.11Å; H298-R301 PolarHBondContact O-N 2.99Å
299W98.3Very high97Very high3 Ų349.1 Ų49.11%0.01126%0.258CS..Hα-helixtrans-67.2-28.3-177.6-59.9122.2000113.7L244 Y250 I252 H289 D291 S292 N294 T295 G296 I304L244-W299 HydrophobicContact CD1-CB 3.76Å; L244-W299 HydrophobicContact CD1-CG 4.41Å; Y250-W299 PolarHBondContact O-NE1 3.21Å; I252-W299 HydrophobicContact CB-CH2 4.17Å; I252-W299 HydrophobicContact CB-CZ2 4.13Å; I252-W299 HydrophobicContact CB-CZ3 4.45Å; I252-W299 HydrophobicContact CD1-CB 3.91Å; I252-W299 HydrophobicContact CD1-CD2 3.43Å; I252-W299 VanDerWaalsContact CD1-CD2 3.43Å; I252-W299 HydrophobicContact CD1-CE3 3.88Å; I252-W299 HydrophobicContact CD1-CG 3.46Å; I252-W299 VanDerWaalsContact CD1-CG 3.46Å; I252-W299 HydrophobicContact CD1-CZ2 4.37Å; I252-W299 HydrophobicContact CD1-CZ3 4.5Å; I252-W299 HydrophobicContact CG1-CD2 3.99Å; I252-W299 HydrophobicContact CG1-CE3 4.46Å; I252-W299 HydrophobicContact CG1-CG 4.32Å; I252-W299 HydrophobicContact CG1-CH2 4.46Å; I252-W299 HydrophobicContact CG1-CZ2 4Å; H289-W299 HydrophobicContact CB-CH2 4.04Å; H289-W299 HydrophobicContact CB-CZ3 4.38Å; H289-W299 AromaticContact CE1-CZ3 3.93Å; H289-W299 AromaticContact CG-CH2 3.97Å; H289-W299 AromaticContact CG-CZ3 3.92Å; H289-W299 AromaticContact ND1-CH2 3.48Å; H289-W299 WeakPolarHBondContact ND1-CH2 3.42Å; H289-W299 AromaticContact ND1-CZ3 3.38Å; H289-W299 WeakPolarHBondContact ND1-CZ3 3.43Å; D291-W299 HydrophobicContact CB-CH2 3.91Å; D291-W299 HydrophobicContact CB-CZ3 4.2Å; S292-W299 WeakPolarHBondContact OG-CH2 3.28Å; N294-W299 HydrophobicContact CB-CD2 4.43Å; N294-W299 HydrophobicContact CB-CZ2 3.84Å; N294-W299 PolarHBondContact O-NE1 3.31Å; T295-W299 PolarHBondContact O-N 2.8Å; G296-W299 PolarHBondContact O-N 2.68Å; W299-I304 HydrophobicContact CB-CD1 4.03Å; W299-I304 HydrophobicContact CD2-CD1 4.3Å; W299-I304 HydrophobicContact CE3-CD1 3.64Å; W299-I304 HydrophobicContact CE3-CG1 3.97Å; W299-I304 HydrophobicContact CE3-CG2 4.23Å; W299-I304 HydrophobicContact CZ3-CD1 4.43Å; W299-I304 HydrophobicContact CZ3-CG2 4Å
300M97.8Very high97Very high63 Ų6352.1 Ų52.131%0.3127%0.271SS..THydrogen-bonded Turntrans-87.8-5.3176-61.8-171.2-69.700114.2I241 G243 L244 P246 G296 H298I241-M300 WeakPolarHBondContact O-CG 3.28Å; G243-M300 PolarHBondContact N-SD 2.95Å; G243-M300 VanDerWaalsContact N-SD 3.42Å; L244-M300 HydrophobicContact CB-CE 4.02Å; L244-M300 HydrophobicContact CB-CG 4.35Å; L244-M300 HydrophobicContact CB-SD 3.95Å; L244-M300 HydrophobicContact CD1-CG 4.25Å; L244-M300 HydrophobicContact CG-CG 4.32Å; L244-M300 HydrophobicContact CG-SD 4.37Å; L244-M300 PolarHBondContact N-SD 3.21Å; L244-M300 VanDerWaalsContact O-CE 3.24Å; L244-M300 WeakPolarHBondContact O-CE 3.46Å; P246-M300 HydrophobicContact CG-CE 4.21Å; G296-M300 WeakPolarHBondContact O-CB 3.31Å; G296-M300 WeakPolarHBondContact O-CG 3.46Å; G296-M300 PolarHBondContact O-N 2.9Å; H298-M300 VanDerWaalsContact C-N 3.29Å; H298-M300 PolarHBondContact O-N 3.41Å
301R97.6Very high97Very high161 Ų16148.7 Ų48.761%0.60825%0.249SC*.SBendtrans-75.2-29.6-177.8-99.5-174.8-49-104.314.6114.2A297 H298A297-R301 VanDerWaalsContact O-CG 3.24Å; A297-R301 WeakPolarHBondContact O-CG 3.28Å; A297-R301 PolarHBondContact O-NH1 3.18Å; A297-R301 VanDerWaalsContact O-NH1 3.13Å; H298-R301 VanDerWaalsContact CA-CZ 3.45Å; H298-R301 VanDerWaalsContact CA-NH2 3.33Å; H298-R301 VanDerWaalsContact CB-NH2 3.33Å; H298-R301 PolarHBondContact ND1-NH2 3.11Å; H298-R301 PolarHBondContact O-N 2.99Å
302Q96.7Very high97Very high137 Ų13745.7 Ų45.764%0.6423%0.233SC*.SBendtrans-162.3174-17258.81677000112.4I304Q302-I304 PolarHBondContact O-N 2.93Å
303E97.9Very high96.9Very high71 Ų7148 Ų4833%0.33224%0.243SC..  trans-62.4129.2174.2-173.2176.9124.300111.9C209 S238 N240C209-E303 HydrophobicContact CB-CG 4.24Å; C209-E303 WeakPolarHBondContact CB-OE2 3.29Å; C209-E303 PolarHBondContact SG-OE2 3.49Å; S238-E303 WeakPolarHBondContact CB-OE1 3.45Å; S238-E303 PolarHBondContact OG-OE1 2.82Å; N240-E303 VanDerWaalsContact OD1-CA 3.26Å; N240-E303 WeakPolarHBondContact OD1-CA 3.48Å; N240-E303 WeakPolarHBondContact OD1-CB 3.26Å; N240-E303 PolarHBondContact OD1-N 2.96Å
304I98.4Very high96.6Very high7 Ų747.1 Ų47.14%0.03623%0.234CC..EExtended strand (participates in β ladder)trans-92.1114.7178.2-53.3174.1000108.3S238 F239 I241 I252 W299 Q302 F306S238-I304 CarbonylContact C-O 3.53Å; S238-I304 VanDerWaalsContact CA-O 3.31Å; S238-I304 WeakPolarHBondContact CA-O 3.42Å; F239-I304 PolarHBondContact N-O 3.44Å; F239-I304 PolarHBondContact O-N 3.24Å; I241-I304 HydrophobicContact CB-CD1 4.39Å; I241-I304 HydrophobicContact CD1-CD1 3.48Å; I241-I304 VanDerWaalsContact CD1-CD1 3.48Å; I241-I304 HydrophobicContact CG1-CD1 3.76Å; I252-I304 HydrophobicContact CD1-CD1 3.95Å; W299-I304 HydrophobicContact CB-CD1 4.03Å; W299-I304 HydrophobicContact CD2-CD1 4.3Å; W299-I304 HydrophobicContact CE3-CD1 3.64Å; W299-I304 HydrophobicContact CE3-CG1 3.97Å; W299-I304 HydrophobicContact CE3-CG2 4.23Å; W299-I304 HydrophobicContact CZ3-CD1 4.43Å; W299-I304 HydrophobicContact CZ3-CG2 4Å; Q302-I304 PolarHBondContact O-N 2.93Å; I304-F306 HydrophobicContact CG2-CE2 4.01Å
305S97.8Very high95.8Very high45 Ų4549.7 Ų49.732%0.31524%0.244SC..EExtended strand (participates in β ladder)trans-116.7118.5-168.5-165.60000114.5F236 S238 H289 G307F236-S305 WeakPolarHBondContact CD2-OG 3.17Å; F236-S305 VanDerWaalsContact CE2-OG 3.25Å; F236-S305 WeakPolarHBondContact CE2-OG 3.27Å; S238-S305 WeakPolarHBondContact OG-CA 3.11Å; S238-S305 WeakPolarHBondContact OG-CB 3.48Å; S238-S305 PolarHBondContact OG-OG 3.49Å; H289-S305 PolarHBondContact NE2-O 3.11Å; S305-G307 PolarHBondContact O-N 3.19Å; S305-G307 PolarHBondContact OG-N 3.28Å
306F97.7Very high94.7Very high4 Ų450.4 Ų50.42%0.01826%0.257CS..  trans-84.521.1174.2-67-95000112.7L237 F239 I252 V254 Y287 H289 I304 K308 L309 L337L237-F306 HydrophobicContact CB-CB 4.13Å; L237-F306 WeakPolarHBondContact O-CB 3.48Å; L237-F306 PolarHBondContact O-N 3.13Å; F239-F306 HydrophobicContact CD2-CD2 4.02Å; F239-F306 AromaticContact CD2-CE2 3.93Å; F239-F306 HydrophobicContact CD2-CE2 3.93Å; F239-F306 AromaticContact CE2-CD2 3.84Å; F239-F306 HydrophobicContact CE2-CD2 3.84Å; F239-F306 AromaticContact CE2-CE2 3.93Å; F239-F306 HydrophobicContact CE2-CE2 3.93Å; I252-F306 HydrophobicContact CG2-CZ 4.23Å; V254-F306 HydrophobicContact CB-CD1 4.29Å; V254-F306 HydrophobicContact CB-CE1 4.18Å; V254-F306 HydrophobicContact CG2-CD1 3.82Å; V254-F306 HydrophobicContact CG2-CD2 4.13Å; V254-F306 HydrophobicContact CG2-CE1 3.66Å; V254-F306 HydrophobicContact CG2-CE2 3.98Å; V254-F306 HydrophobicContact CG2-CG 4.06Å; V254-F306 HydrophobicContact CG2-CZ 3.74Å; Y287-F306 AromaticContact CD1-CD1 3.54Å; Y287-F306 HydrophobicContact CD1-CD1 3.54Å; Y287-F306 AromaticContact CD1-CE1 3.9Å; Y287-F306 HydrophobicContact CD1-CE1 3.9Å; Y287-F306 AromaticContact CE1-CD1 3.78Å; Y287-F306 HydrophobicContact CE1-CD1 3.78Å; Y287-F306 HydrophobicContact CE1-CE1 4.28Å; H289-F306 HydrophobicContact CB-CE1 3.94Å; H289-F306 HydrophobicContact CB-CZ 3.94Å; I304-F306 HydrophobicContact CG2-CE2 4.01Å; F306-K308 PolarHBondContact O-N 3.45Å; F306-L309 HydrophobicContact CB-CB 4.39Å; F306-L309 HydrophobicContact CB-CD1 4.39Å; F306-L309 HydrophobicContact CD1-CD1 4.32Å; F306-L309 WeakPolarHBondContact O-CB 3.43Å; F306-L309 PolarHBondContact O-N 2.62Å; F306-L337 HydrophobicContact CE2-CD1 3.61Å; F306-L337 HydrophobicContact CZ-CD1 3.69Å
307G96.2Very high93.3Very high20 Ų2050.6 Ų50.621%0.20626%0.259CS..THydrogen-bonded Turntrans-59.7-9.3-18000000116.1R232 S305R232-G307 WeakPolarHBondContact CD-O 3.31Å; R232-G307 PolarHBondContact NE-O 3Å; S305-G307 PolarHBondContact O-N 3.19Å; S305-G307 PolarHBondContact OG-N 3.28Å
308K95.3Very high91.6Very high126 Ų12653.8 Ų53.855%0.54828%0.28SS..THydrogen-bonded Turntrans-89.9-19.6172.1-69.7173.7-175.4167.80113.7Y287 F306 K310Y287-K308 WeakPolarHBondContact OH-CB 3.47Å; F306-K308 PolarHBondContact O-N 3.45Å; K308-K310 PolarHBondContact O-N 3.01Å
309L95.9Very high89.6Confident2 Ų257.6 Ų57.61%0.0130%0.302CS..  trans-59.5129.6-176.7-170.8166000111.4R232 M233 V254 Y287 F306 L311 V325R232-L309 WeakPolarHBondContact CA-O 3.44Å; M233-L309 HydrophobicContact CG-CD2 4.33Å; M233-L309 HydrophobicContact SD-CD2 3.94Å; V254-L309 HydrophobicContact CB-CD1 4.37Å; V254-L309 HydrophobicContact CG1-CD1 4.31Å; Y287-L309 HydrophobicContact CD1-CB 4.16Å; Y287-L309 HydrophobicContact CD1-CD1 3.95Å; Y287-L309 HydrophobicContact CD1-CG 4.12Å; Y287-L309 HydrophobicContact CD2-CB 3.99Å; Y287-L309 HydrophobicContact CD2-CD1 4.37Å; Y287-L309 HydrophobicContact CD2-CG 3.76Å; Y287-L309 HydrophobicContact CE1-CB 4.21Å; Y287-L309 HydrophobicContact CE2-CB 4.05Å; Y287-L309 HydrophobicContact CE2-CG 4.34Å; Y287-L309 HydrophobicContact CG-CB 4.04Å; Y287-L309 HydrophobicContact CG-CD1 3.73Å; Y287-L309 HydrophobicContact CG-CG 3.64Å; F306-L309 HydrophobicContact CB-CB 4.39Å; F306-L309 HydrophobicContact CB-CD1 4.39Å; F306-L309 HydrophobicContact CD1-CD1 4.32Å; F306-L309 WeakPolarHBondContact O-CB 3.43Å; F306-L309 PolarHBondContact O-N 2.62Å; L309-L311 HydrophobicContact CD2-CD2 3.57Å; L309-L311 HydrophobicContact CD2-CG 4.38Å; L309-V325 HydrophobicContact CD2-CG2 4.04Å; L309-V325 HydrophobicContact CG-CG2 4.36Å
310K96.1Very high87.9Confident73 Ų7360.7 Ų60.732%0.31732%0.318SS..EExtended strand (participates in β ladder)trans-111.6138.5178.3-75.1178.8171.8-169.10112.4Q229 R231 K308 Q323 M324 V325Q229-K310 PolarHBondContact O-NZ 3Å; R231-K310 CarbonylContact O-C 3.59Å; R231-K310 WeakPolarHBondContact O-CA 3.42Å; K308-K310 PolarHBondContact O-N 3.01Å; K310-Q323 PolarHBondContact N-O 3.27Å; K310-M324 HydrophobicContact CB-CG 4Å; K310-M324 HydrophobicContact CD-CG 4.19Å; K310-M324 HydrophobicContact CD-SD 4.47Å; K310-M324 WeakPolarHBondContact O-CA 3.21Å; K310-V325 PolarHBondContact O-N 3.47Å
311L96.9Very high86.3Confident1 Ų163.5 Ų63.51%0.00534%0.335CS..EExtended strand (participates in β ladder)trans-102134.9171.1-52.7-176.1000111M224 I226 G230 R231 M233 L309 V325 L327 F366M224-L311 HydrophobicContact CB-CD1 3.79Å; M224-L311 HydrophobicContact CG-CD1 4.29Å; I226-L311 HydrophobicContact CG2-CB 3.77Å; I226-L311 HydrophobicContact CG2-CD1 4.48Å; G230-L311 CarbonylContact C-O 3.47Å; G230-L311 VanDerWaalsContact CA-O 3.29Å; G230-L311 WeakPolarHBondContact CA-O 3.46Å; R231-L311 PolarHBondContact N-O 3.3Å; R231-L311 PolarHBondContact O-N 3.13Å; M233-L311 HydrophobicContact CE-CD1 4.49Å; M233-L311 HydrophobicContact CG-CD1 3.76Å; M233-L311 HydrophobicContact CG-CD2 4.26Å; M233-L311 HydrophobicContact CG-CG 3.84Å; M233-L311 HydrophobicContact SD-CD1 4.31Å; M233-L311 HydrophobicContact SD-CD2 4.24Å; M233-L311 HydrophobicContact SD-CG 4.42Å; L309-L311 HydrophobicContact CD2-CD2 3.57Å; L309-L311 HydrophobicContact CD2-CG 4.38Å; L311-V325 WeakPolarHBondContact CA-O 3.19Å; L311-V325 HydrophobicContact CD2-CB 3.92Å; L311-V325 HydrophobicContact CD2-CG1 4.23Å; L311-L327 HydrophobicContact CB-CD1 4.26Å; L311-L327 HydrophobicContact CD1-CD1 3.92Å; L311-L327 HydrophobicContact CD2-CD1 3.95Å; L311-L327 HydrophobicContact CG-CD1 4.27Å; L311-F366 HydrophobicContact CD1-CE2 3.87Å; L311-F366 HydrophobicContact CD1-CZ 3.76Å
312T95.5Very high85Confident0 Ų057.9 Ų57.90%033%0.326CS..EExtended strand (participates in β ladder)trans-135.4155.9-179-170.80000113.1T227 N314 A317 M324 V325 V326 L327T227-T312 WeakPolarHBondContact O-CA 3.5Å; T227-T312 VanDerWaalsContact O-CB 3.28Å; T227-T312 WeakPolarHBondContact O-CB 3.37Å; T227-T312 PolarHBondContact O-OG1 3.12Å; T312-N314 PolarHBondContact OG1-N 3.36Å; T312-N314 VanDerWaalsContact OG1-N 3.11Å; T312-A317 HydrophobicContact CG2-CB 4.16Å; T312-M324 HydrophobicContact CG2-CB 4.39Å; T312-M324 HydrophobicContact CG2-CE 3.77Å; T312-V325 PolarHBondContact N-O 2.86Å; T312-V326 HydrophobicContact CG2-CB 4.34Å; T312-V326 HydrophobicContact CG2-CG2 3.85Å; T312-V326 WeakPolarHBondContact O-CA 3.36Å; T312-L327 PolarHBondContact O-N 2.87Å
313N93.9Very high84.2Confident72 Ų7256.3 Ų56.339%0.38532%0.319SS..  trans-97-0.7167.563.4-20000113.7I226 T227 K228 K315 L327I226-N313 HydrophobicContact CD1-CB 3.73Å; I226-N313 HydrophobicContact CG1-CB 4.04Å; T227-N313 VanDerWaalsContact C-OD1 3.26Å; K228-N313 PolarHBondContact N-OD1 3.04Å; N313-K315 PolarHBondContact O-N 3.05Å; N313-L327 WeakPolarHBondContact CA-O 3.48Å
314N90.2Very high83.9Confident55 Ų5553.5 Ų53.529%0.29431%0.306SS..  trans-81.399.8-177179.412.2000111.2K228 T312 G316 A317K228-N314 HydrophobicContact CG-CB 4.48Å; T312-N314 PolarHBondContact OG1-N 3.36Å; T312-N314 VanDerWaalsContact OG1-N 3.11Å; N314-G316 PolarHBondContact O-N 3.11Å; N314-G316 VanDerWaalsContact O-N 3.11Å; N314-G316 PolarHBondContact OD1-N 3.13Å; N314-G316 VanDerWaalsContact OD1-N 3.13Å; N314-A317 HydrophobicContact CB-CB 4.02Å; N314-A317 VanDerWaalsContact O-CB 3.27Å; N314-A317 WeakPolarHBondContact O-CB 3.49Å; N314-A317 PolarHBondContact O-N 3.26Å
315K81.1Confident83.8Confident97 Ų9753.2 Ų53.242%0.42231%0.305SS..THydrogen-bonded Turntrans-52.9-29.6177-70.9-169.6170.7-161.90113.9D278 Q282 N313D278-K315 IonicContact OD2-NZ 3.92Å; Q282-K315 VanDerWaalsContact OE1-NZ 3.14Å; N313-K315 PolarHBondContact O-N 3.05Å
316G73.3Confident83.6Confident48 Ų4851.3 Ų51.350%0.49529%0.291SS..THydrogen-bonded Turntrans-90.37.9179.600000115.7N314 S318N314-G316 PolarHBondContact O-N 3.11Å; N314-G316 VanDerWaalsContact O-N 3.11Å; N314-G316 PolarHBondContact OD1-N 3.13Å; N314-G316 VanDerWaalsContact OD1-N 3.13Å; G316-S318 PolarHBondContact O-N 3.21Å
317A66.4Low83.5Confident5 Ų551.2 Ų51.24%0.04129%0.291CS..G310 helixtrans-75.115.9-174.400000115.5T312 N314 N319 N320 M324T312-A317 HydrophobicContact CG2-CB 4.16Å; N314-A317 HydrophobicContact CB-CB 4.02Å; N314-A317 VanDerWaalsContact O-CB 3.27Å; N314-A317 WeakPolarHBondContact O-CB 3.49Å; N314-A317 PolarHBondContact O-N 3.26Å; A317-N319 PolarHBondContact O-N 3.07Å; A317-N319 VanDerWaalsContact O-N 3.12Å; A317-N320 PolarHBondContact O-N 2.89Å; A317-N320 PolarHBondContact O-ND2 3.23Å; A317-M324 HydrophobicContact CB-CE 4.28Å
318S61.7Low83.4Confident99 Ų9952 Ų5269%0.69229%0.289SS*.G310 helixtrans-60.5-21.1-176.749.30000114.2G316 N320G316-S318 PolarHBondContact O-N 3.21Å; S318-N320 PolarHBondContact O-N 2.94Å
319N58Low83.5Confident121 Ų12147.6 Ų47.665%0.64727%0.274SS*.G310 helixtrans-73.7-0.1177.766.1-24.1000115.4A317 N321A317-N319 PolarHBondContact O-N 3.07Å; A317-N319 VanDerWaalsContact O-N 3.12Å; N319-N321 PolarHBondContact O-N 2.83Å
320N61.5Low83.6Confident67 Ų6749.7 Ų49.736%0.35829%0.285SS..SBendtrans-97.755.4-174.1-62.3-85.9000113.6A317 S318 G322 Q323 M324A317-N320 PolarHBondContact O-N 2.89Å; A317-N320 PolarHBondContact O-ND2 3.23Å; S318-N320 PolarHBondContact O-N 2.94Å; N320-G322 PolarHBondContact O-N 3.43Å; N320-Q323 PolarHBondContact O-N 2.89Å; N320-M324 HydrophobicContact CB-CG 4.18Å; N320-M324 HydrophobicContact CB-SD 3.58Å; N320-M324 VanDerWaalsContact CB-SD 3.58Å
321N63.8Low83.6Confident123 Ų12346.6 Ų46.666%0.65827%0.272SS*.THydrogen-bonded Turntrans45.734.8167-59.88000115.9N319 Q323N319-N321 PolarHBondContact O-N 2.83Å; N321-Q323 HydrophobicContact CB-CG 4.44Å; N321-Q323 PolarHBondContact O-N 2.88Å
322G70.1Confident83.7Confident42 Ų4248.9 Ų48.943%0.43328%0.282SS..THydrogen-bonded Turntrans66.21.8-176.400000116.2N320 M324N320-G322 PolarHBondContact O-N 3.43Å; G322-M324 VanDerWaalsContact C-N 3.28Å; G322-M324 PolarHBondContact O-N 2.78Å
323Q81.4Confident83.8Confident104 Ų10448.9 Ų48.949%0.48628%0.282SS..  trans-80.6-5.2-172-60.8-171.36.500114.5Y287 K310 N320 N321Y287-Q323 WeakPolarHBondContact CD2-O 3.46Å; Y287-Q323 HydrophobicContact CE2-CB 4.26Å; Y287-Q323 WeakPolarHBondContact CE2-O 3.43Å; K310-Q323 PolarHBondContact N-O 3.27Å; N320-Q323 PolarHBondContact O-N 2.89Å; N321-Q323 HydrophobicContact CB-CG 4.44Å; N321-Q323 PolarHBondContact O-N 2.88Å
324M91.6Very high84Confident13 Ų1346 Ų466%0.06427%0.266CS..EExtended strand (participates in β ladder)trans-126.1126.4-170.2-66.4179.557.800111N284 K310 T312 A317 N320 G322N284-M324 PolarHBondContact ND2-O 2.9Å; K310-M324 HydrophobicContact CB-CG 4Å; K310-M324 HydrophobicContact CD-CG 4.19Å; K310-M324 HydrophobicContact CD-SD 4.47Å; K310-M324 WeakPolarHBondContact O-CA 3.21Å; T312-M324 HydrophobicContact CG2-CB 4.39Å; T312-M324 HydrophobicContact CG2-CE 3.77Å; A317-M324 HydrophobicContact CB-CE 4.28Å; N320-M324 HydrophobicContact CB-CG 4.18Å; N320-M324 HydrophobicContact CB-SD 3.58Å; N320-M324 VanDerWaalsContact CB-SD 3.58Å; G322-M324 VanDerWaalsContact C-N 3.28Å; G322-M324 PolarHBondContact O-N 2.78Å
325V94.5Very high84.4Confident0 Ų043.6 Ų43.60%025%0.253CS..EExtended strand (participates in β ladder)trans-94.9124.6173.21770000108.7V256 N284 L309 K310 L311 T312 L327V256-V325 HydrophobicContact CB-CG1 3.93Å; V256-V325 HydrophobicContact CG2-CG1 3.95Å; N284-V325 CarbonylContact O-C 3.47Å; N284-V325 WeakPolarHBondContact O-CA 3.37Å; L309-V325 HydrophobicContact CD2-CG2 4.04Å; L309-V325 HydrophobicContact CG-CG2 4.36Å; K310-V325 PolarHBondContact O-N 3.47Å; L311-V325 WeakPolarHBondContact CA-O 3.19Å; L311-V325 HydrophobicContact CD2-CB 3.92Å; L311-V325 HydrophobicContact CD2-CG1 4.23Å; T312-V325 PolarHBondContact N-O 2.86Å; V325-L327 HydrophobicContact CG1-CD2 3.82Å; V325-L327 HydrophobicContact CG1-CG 4.16Å
326V94.5Very high85.2Confident5 Ų542.1 Ų42.13%0.0325%0.245CC..EExtended strand (participates in β ladder)trans-92122.5-178.2-176.70000109.5N284 T312N284-V326 PolarHBondContact O-N 3.01Å; T312-V326 HydrophobicContact CG2-CB 4.34Å; T312-V326 HydrophobicContact CG2-CG2 3.85Å; T312-V326 WeakPolarHBondContact O-CA 3.36Å
327L95.4Very high86.4Confident3 Ų339.9 Ų39.92%0.01622%0.222CC..  trans-130.2147-178.7-56179.6000110.8I226 V256 L311 T312 N313 V325 Y333 F366 A368I226-L327 HydrophobicContact CG2-CD1 4.38Å; V256-L327 HydrophobicContact CB-CD2 4.25Å; V256-L327 HydrophobicContact CG1-CD1 4.47Å; V256-L327 HydrophobicContact CG1-CD2 3.74Å; L311-L327 HydrophobicContact CB-CD1 4.26Å; L311-L327 HydrophobicContact CD1-CD1 3.92Å; L311-L327 HydrophobicContact CD2-CD1 3.95Å; L311-L327 HydrophobicContact CG-CD1 4.27Å; T312-L327 PolarHBondContact O-N 2.87Å; N313-L327 WeakPolarHBondContact CA-O 3.48Å; V325-L327 HydrophobicContact CG1-CD2 3.82Å; V325-L327 HydrophobicContact CG1-CG 4.16Å; L327-Y333 HydrophobicContact CB-CE1 4.45Å; L327-Y333 HydrophobicContact CB-CE2 4.07Å; L327-Y333 HydrophobicContact CD1-CD2 4.25Å; L327-Y333 HydrophobicContact CD1-CE2 4.34Å; L327-Y333 HydrophobicContact CD2-CD1 3.74Å; L327-Y333 HydrophobicContact CD2-CD2 4.46Å; L327-Y333 HydrophobicContact CD2-CE1 3.59Å; L327-Y333 HydrophobicContact CD2-CE2 4.34Å; L327-Y333 HydrophobicContact CD2-CG 4.19Å; L327-Y333 HydrophobicContact CG-CE2 4.49Å; L327-F366 HydrophobicContact CD1-CE2 3.77Å; L327-F366 HydrophobicContact CD1-CZ 3.71Å; L327-A368 HydrophobicContact CB-CB 4.33Å; L327-A368 HydrophobicContact CD1-CB 4.18Å
328Q95.2Very high87.9Confident36 Ų3640.1 Ų40.117%0.16822%0.222CC..  trans-80.3138.8164.6-53.4-162.75.100110.1D278 Y333D278-Q328 PolarHBondContact OD2-NE2 2.89Å; Q328-Y333 WeakPolarHBondContact CA-OH 3.07Å; Q328-Y333 PolarHBondContact N-OH 2.98Å; Q328-Y333 WeakPolarHBondContact O-CE2 3.44Å; Q328-Y333 PolarHBondContact O-OH 3.48Å
329S96.6Very high89.5Confident33 Ų3335.5 Ų35.523%0.23119%0.189CC..THydrogen-bonded Turntrans-66.8158.1174.2-163.30000111.3H331 A368S329-H331 PolarHBondContact O-N 3.49Å; S329-H331 PolarHBondContact O-ND1 3.44Å; S329-A368 CarbonylContact C-O 3.6Å
330L97.3Very high91.3Very high47 Ų4730.7 Ų30.725%0.24617%0.165CC..THydrogen-bonded Turntrans58.827.6178.4-56-178.1000114.7H263 W264 W271 A368 V369H263-L330 PolarHBondContact CD2-O 3.02Å; W264-L330 WeakPolarHBondContact CB-O 3.42Å; W264-L330 PolarHBondContact N-O 2.95Å; W264-L330 WeakPolarHBondContact O-CB 3.41Å; W271-L330 HydrophobicContact CH2-CD2 3.98Å; W271-L330 HydrophobicContact CZ3-CD2 4.06Å; L330-A368 PolarHBondContact N-O 2.92Å; L330-V369 HydrophobicContact CD2-CG1 4.46Å
331H97Very high92.8Very high8 Ų831 Ų314%0.03716%0.164CC..EExtended strand (participates in β ladder)trans-121.4148.4175.8-72.180.6000110.3L258 H263 A277 S329 Y333 I367 A368L258-H331 HydrophobicContact CD2-CB 3.97Å; H263-H331 AromaticContact CD2-CE1 3.54Å; H263-H331 AromaticContact CD2-ND1 3.95Å; A277-H331 VanDerWaalsContact CA-NE2 3.31Å; A277-H331 WeakPolarHBondContact CA-NE2 3.44Å; A277-H331 VanDerWaalsContact CB-CD2 3.42Å; A277-H331 WeakPolarHBondContact CB-CD2 3.5Å; A277-H331 WeakPolarHBondContact CB-NE2 3.45Å; S329-H331 PolarHBondContact O-N 3.49Å; S329-H331 PolarHBondContact O-ND1 3.44Å; H331-Y333 HydrophobicContact CB-CE2 3.59Å; H331-Y333 WeakPolarHBondContact O-CD2 3.33Å; H331-Y333 WeakPolarHBondContact O-CE2 3.27Å; H331-I367 WeakPolarHBondContact O-CA 3.41Å; H331-A368 PolarHBondContact O-N 2.89Å
332K98Very high94Very high48 Ų4827.2 Ų27.221%0.20915%0.145CC..EExtended strand (participates in β ladder)trans-93.1135.4179.1-159.5-171.4-172.1-159.50110.7A259 D260 F366 I367A259-K332 HydrophobicContact CB-CB 4.27Å; A259-K332 HydrophobicContact CB-CD 4.1Å; A259-K332 HydrophobicContact CB-CG 4.01Å; A259-K332 PolarHBondContact N-O 3.28Å; D260-K332 VanDerWaalsContact OD2-CB 3.32Å; D260-K332 WeakPolarHBondContact OD2-CB 3.22Å; D260-K332 WeakPolarHBondContact OD2-CD 3.3Å; K332-F366 CarbonylContact C-O 3.55Å; K332-F366 WeakPolarHBondContact CA-O 3.45Å; K332-I367 HydrophobicContact CB-CG1 4.16Å; K332-I367 HydrophobicContact CG-CG1 3.97Å
333Y98.3Very high94.6Very high1 Ų127.2 Ų27.20%0.00414%0.135CC..EExtended strand (participates in β ladder)trans-128.8153.6-175.5-63.2-86.1000112.6V256 I257 L258 L327 Q328 H331 Q365 F366 A368V256-Y333 HydrophobicContact CG1-CD1 3.95Å; V256-Y333 HydrophobicContact CG1-CG 4.02Å; I257-Y333 CarbonylContact O-C 3.42Å; I257-Y333 VanDerWaalsContact O-CA 3.22Å; I257-Y333 WeakPolarHBondContact O-CA 3.38Å; I257-Y333 WeakPolarHBondContact O-CB 3.25Å; I257-Y333 WeakPolarHBondContact O-CD1 3.41Å; L258-Y333 HydrophobicContact CD2-CD1 4.01Å; L258-Y333 HydrophobicContact CD2-CE1 3.48Å; L258-Y333 VanDerWaalsContact CD2-CE1 3.48Å; L258-Y333 HydrophobicContact CG-CD1 4.47Å; L258-Y333 HydrophobicContact CG-CE1 4.08Å; L327-Y333 HydrophobicContact CB-CE1 4.45Å; L327-Y333 HydrophobicContact CB-CE2 4.07Å; L327-Y333 HydrophobicContact CD1-CD2 4.25Å; L327-Y333 HydrophobicContact CD1-CE2 4.34Å; L327-Y333 HydrophobicContact CD2-CD1 3.74Å; L327-Y333 HydrophobicContact CD2-CD2 4.46Å; L327-Y333 HydrophobicContact CD2-CE1 3.59Å; L327-Y333 HydrophobicContact CD2-CE2 4.34Å; L327-Y333 HydrophobicContact CD2-CG 4.19Å; L327-Y333 HydrophobicContact CG-CE2 4.49Å; Q328-Y333 WeakPolarHBondContact CA-OH 3.07Å; Q328-Y333 PolarHBondContact N-OH 2.98Å; Q328-Y333 WeakPolarHBondContact O-CE2 3.44Å; Q328-Y333 PolarHBondContact O-OH 3.48Å; H331-Y333 HydrophobicContact CB-CE2 3.59Å; H331-Y333 WeakPolarHBondContact O-CD2 3.33Å; H331-Y333 WeakPolarHBondContact O-CE2 3.27Å; Y333-Q365 VanDerWaalsContact O-CA 3.28Å; Y333-Q365 WeakPolarHBondContact O-CA 3.48Å; Y333-F366 HydrophobicContact CD2-CE2 4.08Å; Y333-F366 HydrophobicContact CD2-CZ 4.45Å; Y333-F366 HydrophobicContact CG-CE2 4.48Å; Y333-F366 HydrophobicContact CG-CZ 4.42Å; Y333-F366 PolarHBondContact N-O 2.83Å; Y333-F366 PolarHBondContact O-N 2.9Å; Y333-F366 VanDerWaalsContact O-N 3.11Å; Y333-A368 HydrophobicContact CD2-CB 3.9Å; Y333-A368 HydrophobicContact CE2-CB 3.59Å
334Q98.3Very high94Very high12 Ų1231.4 Ų31.46%0.05616%0.155CC..EExtended strand (participates in β ladder)trans-121.7115173.4174.468.376.300108.4I257 A259 R336 T360 F361 T364 Q365I257-Q334 HydrophobicContact CG1-CB 4.07Å; I257-Q334 WeakPolarHBondContact CG1-O 3.12Å; I257-Q334 PolarHBondContact N-O 3.08Å; I257-Q334 VanDerWaalsContact N-O 3.09Å; I257-Q334 PolarHBondContact O-N 3.21Å; A259-Q334 HydrophobicContact CB-CB 4.2Å; Q334-R336 HydrophobicContact CG-CG 4.4Å; Q334-T360 VanDerWaalsContact CD-CG2 3.45Å; Q334-T360 HydrophobicContact CG-CG2 3.6Å; Q334-F361 PolarHBondContact NE2-O 2.89Å; Q334-T364 PolarHBondContact NE2-OG1 3.02Å; Q334-Q365 HydrophobicContact CB-CG 4.24Å
335P98.5Very high92.8Very high4 Ų436.1 Ų36.13%0.02618%0.18CC..EExtended strand (participates in β ladder)trans-66.8143.5162.9-17.430.7000111.1M233 L237 V254 D255 T364 F366M233-P335 HydrophobicContact CE-CG 4.48Å; L237-P335 HydrophobicContact CD1-CB 3.61Å; L237-P335 HydrophobicContact CD1-CG 4.02Å; L237-P335 HydrophobicContact CD2-CB 4.18Å; L237-P335 HydrophobicContact CD2-CG 4.27Å; V254-P335 HydrophobicContact CG1-CB 4.32Å; D255-P335 WeakPolarHBondContact O-CA 3.36Å; P335-T364 WeakPolarHBondContact CD-O 3.36Å; P335-F366 HydrophobicContact CG-CD1 4.24Å; P335-F366 HydrophobicContact CG-CE1 3.94Å
336R98.3Very high91.1Very high65 Ų6539.4 Ų39.425%0.24521%0.214CC..EExtended strand (participates in β ladder)trans-130.6139.2165.8-47.1147.658.9-153.79.7108.5V254 D255 Q334 T358 F359 T360V254-R336 VanDerWaalsContact CA-O 3.28Å; V254-R336 WeakPolarHBondContact CA-O 3.25Å; D255-R336 PolarHBondContact N-O 3.07Å; D255-R336 VanDerWaalsContact N-O 3.07Å; D255-R336 PolarHBondContact O-N 2.84Å; D255-R336 VanDerWaalsContact OD1-CB 3.31Å; D255-R336 WeakPolarHBondContact OD1-CB 3.08Å; D255-R336 VanDerWaalsContact OD1-CD 3.3Å; D255-R336 WeakPolarHBondContact OD1-CD 3.43Å; D255-R336 IonicContact OD1-CZ 3.93Å; D255-R336 IonicContact OD1-NE 3.8Å; D255-R336 IonicContact OD1-NH1 3.46Å; D255-R336 PolarHBondContact OD1-NH1 3.46Å; D255-R336 IonicContact OD2-CZ 3.74Å; D255-R336 IonicContact OD2-NH1 3.81Å; D255-R336 PolarHBondContact OD2-NH1 2.95Å; Q334-R336 HydrophobicContact CG-CG 4.4Å; R336-T358 HydrophobicContact CB-CG2 3.94Å; R336-T358 HydrophobicContact CG-CG2 4.42Å; R336-F359 WeakPolarHBondContact CA-O 3.34Å; R336-T360 HydrophobicContact CG-CG2 4.12Å
337L98.4Very high89.4Confident1 Ų141.7 Ų41.71%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-88.6142.8169.7-174.873.4000108.7V206 F239 I241 I252 V254 F306 T358 F359V206-L337 HydrophobicContact CG1-CD2 3.61Å; V206-L337 HydrophobicContact CG2-CD2 4.32Å; F239-L337 HydrophobicContact CB-CD2 4.38Å; F239-L337 HydrophobicContact CD1-CD2 4.27Å; F239-L337 HydrophobicContact CD2-CD1 3.99Å; F239-L337 HydrophobicContact CD2-CD2 3.94Å; F239-L337 HydrophobicContact CD2-CG 4.48Å; F239-L337 HydrophobicContact CE2-CB 4.35Å; F239-L337 HydrophobicContact CE2-CD1 3.81Å; F239-L337 HydrophobicContact CE2-CD2 4.25Å; F239-L337 HydrophobicContact CE2-CG 4.37Å; F239-L337 HydrophobicContact CG-CD2 3.95Å; F239-L337 HydrophobicContact CZ-CB 4.19Å; F239-L337 HydrophobicContact CZ-CD1 4.48Å; I241-L337 HydrophobicContact CD1-CD2 4.09Å; I252-L337 HydrophobicContact CG2-CD1 3.75Å; I252-L337 HydrophobicContact CG2-CG 4.37Å; V254-L337 HydrophobicContact CG2-CD1 3.8Å; F306-L337 HydrophobicContact CE2-CD1 3.61Å; F306-L337 HydrophobicContact CZ-CD1 3.69Å; L337-T358 CarbonylContact O-C 3.57Å; L337-T358 WeakPolarHBondContact O-CA 3.4Å; L337-F359 HydrophobicContact CB-CB 4.4Å; L337-F359 PolarHBondContact N-O 2.56Å; L337-F359 PolarHBondContact O-N 3.27Å
338H97.3Very high87.4Confident11 Ų1148.9 Ų48.95%0.05126%0.261CS..EExtended strand (participates in β ladder)trans-125.5132.9172.9-55.5-96000109.1I252 F253 D255 V340 Q357 T358I252-H338 WeakPolarHBondContact CA-O 3.31Å; F253-H338 HydrophobicContact CD1-CB 4.23Å; F253-H338 HydrophobicContact CD2-CB 3.85Å; F253-H338 AromaticContact CD2-CD2 3.65Å; F253-H338 AromaticContact CD2-CG 3.96Å; F253-H338 HydrophobicContact CE1-CB 3.92Å; F253-H338 HydrophobicContact CE2-CB 3.5Å; F253-H338 AromaticContact CE2-CD2 3.37Å; F253-H338 WeakPolarHBondContact CE2-CD2 3.48Å; F253-H338 AromaticContact CE2-CG 3.41Å; F253-H338 VanDerWaalsContact CE2-CG 3.41Å; F253-H338 HydrophobicContact CG-CB 4.21Å; F253-H338 HydrophobicContact CZ-CB 3.54Å; F253-H338 AromaticContact CZ-CG 3.81Å; F253-H338 PolarHBondContact N-O 3.09Å; F253-H338 VanDerWaalsContact N-O 3.08Å; F253-H338 PolarHBondContact O-N 3.38Å; D255-H338 VanDerWaalsContact CG-NE2 3.27Å; D255-H338 IonicContact OD1-CD2 3.58Å; D255-H338 IonicContact OD1-CE1 3.71Å; D255-H338 IonicContact OD1-NE2 3.86Å; D255-H338 PolarHBondContact OD1-NE2 3.22Å; D255-H338 IonicContact OD2-NE2 2.77Å; H338-V340 HydrophobicContact CB-CG2 4.46Å; H338-Q357 WeakPolarHBondContact CA-O 3.28Å; H338-T358 PolarHBondContact CE1-OG1 3.34Å; H338-T358 PolarHBondContact ND1-OG1 2.87Å
339V96.7Very high85.4Confident1 Ų150.8 Ų50.81%0.00627%0.273CS..EExtended strand (participates in β ladder)trans-113.1123.9168.8-176.70000106.8I241 L244 Y250 I252 Q357 F359I241-V339 HydrophobicContact CD1-CG2 3.94Å; L244-V339 HydrophobicContact CD2-CG1 3.88Å; Y250-V339 HydrophobicContact CD1-CG1 3.75Å; Y250-V339 HydrophobicContact CE1-CG1 4.49Å; Y250-V339 HydrophobicContact CG-CG1 4.26Å; I252-V339 HydrophobicContact CD1-CG1 4.23Å; I252-V339 HydrophobicContact CD1-CG2 4.13Å; I252-V339 HydrophobicContact CG1-CG1 4.23Å; I252-V339 HydrophobicContact CG1-CG2 4.33Å; V339-Q357 PolarHBondContact N-O 2.92Å; V339-Q357 PolarHBondContact O-N 2.89Å; V339-F359 HydrophobicContact CG2-CD2 4.45Å; V339-F359 HydrophobicContact CG2-CE2 4.14Å
340V94.9Very high83.5Confident21 Ų2154.9 Ų54.913%0.12730%0.297CS..EExtended strand (participates in β ladder)trans-130.2120.9-174.8-175.50000110.1Y250 N251 F253 H338 R355 V356Y250-V340 CarbonylContact C-O 3.53Å; Y250-V340 VanDerWaalsContact CA-O 3.27Å; Y250-V340 WeakPolarHBondContact CA-O 3.41Å; N251-V340 PolarHBondContact N-O 3.28Å; N251-V340 PolarHBondContact O-N 3.06Å; F253-V340 HydrophobicContact CE1-CG2 3.6Å; F253-V340 HydrophobicContact CZ-CG2 4.15Å; H338-V340 HydrophobicContact CB-CG2 4.46Å; V340-R355 WeakPolarHBondContact CA-O 3.33Å; V340-R355 HydrophobicContact CG1-CG 4.44Å; V340-V356 HydrophobicContact CG1-CG2 3.99Å; V340-V356 HydrophobicContact CG2-CB 4.27Å; V340-V356 HydrophobicContact CG2-CG1 4.02Å; V340-V356 HydrophobicContact CG2-CG2 3.9Å
341E92.8Very high81.4Confident72 Ų7256.6 Ų56.634%0.33631%0.313SS..EExtended strand (participates in β ladder)trans-73.2145.3178.9-157.3162.8127.900111.4A248 Y250 R355A248-E341 HydrophobicContact CB-CG 4.29Å; Y250-E341 HydrophobicContact CD1-CB 3.9Å; Y250-E341 HydrophobicContact CD1-CG 4.04Å; Y250-E341 HydrophobicContact CE1-CB 3.65Å; Y250-E341 HydrophobicContact CE1-CG 3.53Å; Y250-E341 WeakPolarHBondContact CE1-OE2 3.35Å; Y250-E341 VanDerWaalsContact CZ-OE2 3.24Å; Y250-E341 PolarHBondContact OH-OE2 3.46Å; E341-R355 HydrophobicContact CB-CG 4.33Å; E341-R355 PolarHBondContact N-O 2.73Å; E341-R355 VanDerWaalsContact N-O 3.15Å; E341-R355 PolarHBondContact O-NE 2.84Å; E341-R355 PolarHBondContact O-NH2 2.86Å
342V89.7Confident79.4Confident44 Ų4461.8 Ų61.827%0.26734%0.337SS..EExtended strand (participates in β ladder)trans-109.4108.1-175.4-176.10000108.9H249 P293 E344H249-V342 HydrophobicContact CB-CB 4.04Å; H249-V342 HydrophobicContact CB-CG2 4.46Å; H249-V342 WeakPolarHBondContact O-CB 3.37Å; H249-V342 PolarHBondContact O-N 2.86Å; P293-V342 HydrophobicContact CB-CG2 4.21Å; V342-E344 PolarHBondContact O-N 3.26Å
343N80.9Confident77.3Confident42 Ų4265.7 Ų65.723%0.22537%0.367CS..  trans-52130.2172-71.620.5000111.1D345 G346 T347 R355N343-D345 WeakPolarHBondContact CB-OD1 3.48Å; N343-D345 PolarHBondContact O-N 3.18Å; N343-G346 PolarHBondContact O-N 3.15Å; N343-T347 PolarHBondContact ND2-O 3.46Å; N343-T347 PolarHBondContact ND2-OG1 2.9Å; N343-R355 VanDerWaalsContact CG-NH1 3.31Å; N343-R355 PolarHBondContact ND2-NH1 2.94Å; N343-R355 PolarHBondContact OD1-NE 3.22Å; N343-R355 PolarHBondContact OD1-NH1 2.83Å; N343-R355 PolarHBondContact OD1-NH2 3.4Å
344E69.7Low75.6Confident193 Ų19368.2 Ų68.290%0.90239%0.393SS*.THydrogen-bonded Turntrans-66.4-29.2178.3-58.9-165.7126.700112.3V342 G346V342-E344 PolarHBondContact O-N 3.26Å; E344-G346 PolarHBondContact O-N 2.87Å
345D66.3Low74.7Confident112 Ų11270 Ų7060%0.59940%0.4SS*.THydrogen-bonded Turntrans-782.7177.554.6-70.9000114.1N343 T347N343-D345 WeakPolarHBondContact CB-OD1 3.48Å; N343-D345 PolarHBondContact O-N 3.18Å; D345-T347 PolarHBondContact O-N 3.4Å; D345-T347 WeakPolarHBondContact OD2-CB 3.33Å; D345-T347 WeakPolarHBondContact OD2-CG2 3.34Å; D345-T347 PolarHBondContact OD2-OG1 3.35Å
346G58.4Low74.2Confident68 Ų6873.6 Ų73.670%0.70142%0.421SS*.  trans72.25.2172.500000115.5N343 E344N343-G346 PolarHBondContact O-N 3.15Å; E344-G346 PolarHBondContact O-N 2.87Å
347T58.4Low74Confident53 Ų5372.2 Ų72.233%0.32542%0.418SS..  trans-75.5128.8179.258.80000112.1N343 D345 D349 R355N343-T347 PolarHBondContact ND2-O 3.46Å; N343-T347 PolarHBondContact ND2-OG1 2.9Å; D345-T347 PolarHBondContact O-N 3.4Å; D345-T347 WeakPolarHBondContact OD2-CB 3.33Å; D345-T347 WeakPolarHBondContact OD2-CG2 3.34Å; D345-T347 PolarHBondContact OD2-OG1 3.35Å; T347-D349 PolarHBondContact O-N 3.11Å; T347-R355 PolarHBondContact O-NH1 3.34Å; T347-R355 PolarHBondContact O-NH2 3.15Å
348E55Low74Confident155 Ų15574.9 Ų74.972%0.72443%0.434SS*.  trans-79.448.5163.6-78-153.2133.300111.4T350E348-T350 PolarHBondContact O-N 3.36Å; E348-T350 PolarHBondContact O-OG1 3.04Å
349D52Low74Confident75 Ų7576.3 Ų76.340%0.40144%0.44SS..  trans-6681.2168.2-103.230.8000109.6T347 S351 R355T347-D349 PolarHBondContact O-N 3.11Å; D349-S351 PolarHBondContact O-N 3.23Å; D349-R355 PolarHBondContact O-NH1 3.24Å
350T56.7Low74Confident120 Ų12079.5 Ų79.574%0.73646%0.46SS*.THydrogen-bonded Turntrans-77.3-7.9176.1-50.60000110.8E348 Q352E348-T350 PolarHBondContact O-N 3.36Å; E348-T350 PolarHBondContact O-OG1 3.04Å; T350-Q352 VanDerWaalsContact C-N 3.32Å; T350-Q352 PolarHBondContact O-N 2.65Å
351S53.4Low74.2Confident83 Ų8379.7 Ų79.758%0.5846%0.459SS*.THydrogen-bonded Turntrans-67.8-22.4176.746.20000114.1D349 P353D349-S351 PolarHBondContact O-N 3.23Å; S351-P353 VanDerWaalsContact O-CD 3.29Å; S351-P353 WeakPolarHBondContact O-CD 3.45Å
352Q54.7Low74.5Confident116 Ų11679.8 Ų79.854%0.54247%0.466SS..SBendtrans-82.1111.3-171-64-65-6.600112.8T350 G354 R355T350-Q352 VanDerWaalsContact C-N 3.32Å; T350-Q352 PolarHBondContact O-N 2.65Å; Q352-G354 PolarHBondContact O-N 3Å; Q352-R355 PolarHBondContact O-N 3.24Å
353P54.4Low74.9Confident131 Ų13178.1 Ų78.185%0.85146%0.455SS*.THydrogen-bonded Turntrans-75.896.2-175.431.5-34.6000111.5S351S351-P353 VanDerWaalsContact O-CD 3.29Å; S351-P353 WeakPolarHBondContact O-CD 3.45Å
354G62.6Low75.8Confident54 Ų5476.2 Ų76.256%0.55745%0.445SS*.THydrogen-bonded Turntrans149.5-22177.500000113.9Q352 V356Q352-G354 PolarHBondContact O-N 3Å; G354-V356 PolarHBondContact O-N 3.18Å
355R79.2Confident77.1Confident49 Ų4968.9 Ų68.919%0.18541%0.41CS..SBendtrans-60.9-24-178.7-172.4176173.4-179.14.6114.3V340 E341 N343 T347 D349 Q352V340-R355 WeakPolarHBondContact CA-O 3.33Å; V340-R355 HydrophobicContact CG1-CG 4.44Å; E341-R355 HydrophobicContact CB-CG 4.33Å; E341-R355 PolarHBondContact N-O 2.73Å; E341-R355 VanDerWaalsContact N-O 3.15Å; E341-R355 PolarHBondContact O-NE 2.84Å; E341-R355 PolarHBondContact O-NH2 2.86Å; N343-R355 VanDerWaalsContact CG-NH1 3.31Å; N343-R355 PolarHBondContact ND2-NH1 2.94Å; N343-R355 PolarHBondContact OD1-NE 3.22Å; N343-R355 PolarHBondContact OD1-NH1 2.83Å; N343-R355 PolarHBondContact OD1-NH2 3.4Å; T347-R355 PolarHBondContact O-NH1 3.34Å; T347-R355 PolarHBondContact O-NH2 3.15Å; D349-R355 PolarHBondContact O-NH1 3.24Å; Q352-R355 PolarHBondContact O-N 3.24Å
356V88.9Confident78.7Confident79 Ų7963.6 Ų63.648%0.47938%0.382SS..EExtended strand (participates in β ladder)trans-112.3118.6178.2178.80000109.9V340 G354V340-V356 HydrophobicContact CG1-CG2 3.99Å; V340-V356 HydrophobicContact CG2-CB 4.27Å; V340-V356 HydrophobicContact CG2-CG1 4.02Å; V340-V356 HydrophobicContact CG2-CG2 3.9Å; G354-V356 PolarHBondContact O-N 3.18Å
357Q94.4Very high80.6Confident37 Ų3760.5 Ų60.517%0.17335%0.35CS..EExtended strand (participates in β ladder)trans-112.5107.9177.6-56.4-172.843.300109.7G202 H338 V339 F359G202-Q357 PolarHBondContact O-NE2 3.48Å; H338-Q357 WeakPolarHBondContact CA-O 3.28Å; V339-Q357 PolarHBondContact N-O 2.92Å; V339-Q357 PolarHBondContact O-N 2.89Å; Q357-F359 HydrophobicContact CB-CE2 3.64Å; Q357-F359 HydrophobicContact CB-CZ 3.92Å; Q357-F359 WeakPolarHBondContact O-CD2 3.29Å; Q357-F359 WeakPolarHBondContact O-CE2 3.24Å
358T96.6Very high82.5Confident56 Ų5658 Ų5834%0.34433%0.334SS..EExtended strand (participates in β ladder)trans-92.4130.9178.2-61.40000111.5R336 L337 H338R336-T358 HydrophobicContact CB-CG2 3.94Å; R336-T358 HydrophobicContact CG-CG2 4.42Å; L337-T358 CarbonylContact O-C 3.57Å; L337-T358 WeakPolarHBondContact O-CA 3.4Å; H338-T358 PolarHBondContact CE1-OG1 3.34Å; H338-T358 PolarHBondContact ND1-OG1 2.87Å
359F97.9Very high84.6Confident41 Ų4150.6 Ų50.618%0.1830%0.3CS..EExtended strand (participates in β ladder)trans-118.8129.4174.4-57-89.1000110.5A204 V206 R336 L337 V339 Q357 F361A204-F359 HydrophobicContact CB-CE2 4.26Å; A204-F359 HydrophobicContact CB-CZ 3.88Å; A204-F359 WeakPolarHBondContact O-CE1 3.35Å; A204-F359 VanDerWaalsContact O-CZ 3.26Å; A204-F359 WeakPolarHBondContact O-CZ 3.43Å; V206-F359 HydrophobicContact CB-CB 4.25Å; V206-F359 HydrophobicContact CB-CD1 3.8Å; V206-F359 HydrophobicContact CB-CD2 4.2Å; V206-F359 HydrophobicContact CB-CE1 4.24Å; V206-F359 HydrophobicContact CB-CG 3.79Å; V206-F359 HydrophobicContact CG1-CB 4.41Å; V206-F359 HydrophobicContact CG1-CG 4.4Å; V206-F359 HydrophobicContact CG2-CB 4.42Å; V206-F359 HydrophobicContact CG2-CD1 3.74Å; V206-F359 HydrophobicContact CG2-CD2 3.47Å; V206-F359 VanDerWaalsContact CG2-CD2 3.47Å; V206-F359 HydrophobicContact CG2-CE1 3.82Å; V206-F359 HydrophobicContact CG2-CE2 3.56Å; V206-F359 HydrophobicContact CG2-CG 3.58Å; V206-F359 HydrophobicContact CG2-CZ 3.75Å; R336-F359 WeakPolarHBondContact CA-O 3.34Å; L337-F359 HydrophobicContact CB-CB 4.4Å; L337-F359 PolarHBondContact N-O 2.56Å; L337-F359 PolarHBondContact O-N 3.27Å; V339-F359 HydrophobicContact CG2-CD2 4.45Å; V339-F359 HydrophobicContact CG2-CE2 4.14Å; Q357-F359 HydrophobicContact CB-CE2 3.64Å; Q357-F359 HydrophobicContact CB-CZ 3.92Å; Q357-F359 WeakPolarHBondContact O-CD2 3.29Å; Q357-F359 WeakPolarHBondContact O-CE2 3.24Å; F359-F361 HydrophobicContact CB-CE2 4.03Å
360T98.1Very high86.8Confident69 Ų6951.1 Ų51.142%0.42331%0.306SS..EExtended strand (participates in β ladder)trans-126.4129.4-175-51.50000110.2Q334 R336Q334-T360 VanDerWaalsContact CD-CG2 3.45Å; Q334-T360 HydrophobicContact CG-CG2 3.6Å; R336-T360 HydrophobicContact CG-CG2 4.12Å
361F98.5Very high88.8Confident25 Ų2548 Ų4811%0.1129%0.292CS..  trans-118.2101.8-177-64.6-85.4000109.5V206 L208 F239 Q334 F359 E363 T364V206-F361 HydrophobicContact CB-CZ 4.39Å; V206-F361 HydrophobicContact CG1-CE2 4.07Å; V206-F361 HydrophobicContact CG1-CZ 3.92Å; L208-F361 HydrophobicContact CB-CD1 3.75Å; L208-F361 HydrophobicContact CB-CE1 3.82Å; L208-F361 HydrophobicContact CB-CG 4.17Å; L208-F361 HydrophobicContact CB-CZ 4.28Å; L208-F361 HydrophobicContact CD2-CB 4.29Å; L208-F361 HydrophobicContact CD2-CD1 4.43Å; L208-F361 HydrophobicContact CD2-CG 4.42Å; F239-F361 AromaticContact CD1-CE2 3.95Å; F239-F361 HydrophobicContact CD1-CE2 3.95Å; F239-F361 HydrophobicContact CD1-CZ 4.45Å; F239-F361 AromaticContact CE1-CD2 3.76Å; F239-F361 HydrophobicContact CE1-CD2 3.76Å; F239-F361 AromaticContact CE1-CE2 3.58Å; F239-F361 HydrophobicContact CE1-CE2 3.58Å; F239-F361 HydrophobicContact CE1-CZ 4.44Å; Q334-F361 PolarHBondContact NE2-O 2.89Å; F359-F361 HydrophobicContact CB-CE2 4.03Å; F361-E363 PolarHBondContact O-N 2.69Å; F361-T364 HydrophobicContact CB-CG2 3.82Å; F361-T364 PolarHBondContact O-N 2.68Å; F361-T364 PolarHBondContact O-OG1 3.18Å
362P98.4Very high90.9Very high74 Ų7447.4 Ų47.448%0.48128%0.278SS..G310 helixtrans-57.5-31.6-174.8-27.636.3000114H218 T364 Q365H218-P362 PolarHBondContact CE1-O 3.4Å; P362-T364 PolarHBondContact O-N 3.29Å; P362-Q365 WeakPolarHBondContact O-CB 3.34Å; P362-Q365 VanDerWaalsContact O-CG 3.28Å; P362-Q365 WeakPolarHBondContact O-CG 3.46Å; P362-Q365 PolarHBondContact O-N 3.13Å; P362-Q365 VanDerWaalsContact O-N 3.14Å
363E98.4Very high93Very high9 Ų945.5 Ų45.54%0.04227%0.269CS..G310 helixtrans-66.3-16.3176.870.8-83-16500113.9L208 R211 W214 L215 H218 F361 Q365L208-E363 HydrophobicContact CD2-CG 3.91Å; L208-E363 WeakPolarHBondContact CD2-OE1 3.45Å; R211-E363 WeakPolarHBondContact CD-OE1 3.36Å; R211-E363 HydrophobicContact CG-CG 4.45Å; R211-E363 IonicContact CZ-OE1 2.62Å; R211-E363 IonicContact CZ-OE2 3.28Å; R211-E363 IonicContact NE-OE1 3.92Å; R211-E363 PolarHBondContact NE-OE1 3.14Å; R211-E363 VanDerWaalsContact NH1-CD 3.26Å; R211-E363 IonicContact NH1-OE1 3.9Å; R211-E363 PolarHBondContact NH1-OE1 3.31Å; R211-E363 IonicContact NH1-OE2 3.45Å; R211-E363 PolarHBondContact NH1-OE2 3.14Å; R211-E363 IonicContact NH2-OE2 3.18Å; W214-E363 HydrophobicContact CB-CG 4.03Å; L215-E363 HydrophobicContact CD2-CB 3.78Å; L215-E363 HydrophobicContact CD2-CG 4.29Å; L215-E363 HydrophobicContact CG-CB 4.4Å; L215-E363 HydrophobicContact CG-CG 4.49Å; H218-E363 HydrophobicContact CB-CB 4.36Å; H218-E363 WeakPolarHBondContact ND1-CA 3.21Å; H218-E363 PolarHBondContact ND1-O 2.74Å; F361-E363 PolarHBondContact O-N 2.69Å; E363-Q365 VanDerWaalsContact C-N 3.33Å
364T98.8Very high95.1Very high1 Ų140 Ų401%0.00623%0.232CC..G310 helixtrans-86.80.717668.70000113.8L208 W214 L237 Q334 P335 F361 P362L208-T364 HydrophobicContact CD1-CG2 3.95Å; L208-T364 HydrophobicContact CD2-CG2 3.53Å; L208-T364 HydrophobicContact CG-CG2 4.43Å; W214-T364 HydrophobicContact CD2-CG2 3.85Å; W214-T364 HydrophobicContact CE3-CG2 3.96Å; W214-T364 HydrophobicContact CG-CG2 4.29Å; W214-T364 HydrophobicContact CH2-CG2 4.42Å; W214-T364 HydrophobicContact CZ2-CG2 4.32Å; W214-T364 HydrophobicContact CZ3-CG2 4.25Å; L237-T364 HydrophobicContact CD2-CG2 3.89Å; Q334-T364 PolarHBondContact NE2-OG1 3.02Å; P335-T364 WeakPolarHBondContact CD-O 3.36Å; F361-T364 HydrophobicContact CB-CG2 3.82Å; F361-T364 PolarHBondContact O-N 2.68Å; F361-T364 PolarHBondContact O-OG1 3.18Å; P362-T364 PolarHBondContact O-N 3.29Å
365Q98.7Very high96.7Very high39 Ų3941.3 Ų41.318%0.18223%0.229CC..  trans-58.2141.5171.1-72-179.214.100111.6T222 Y333 Q334 P362 E363T222-Q365 WeakPolarHBondContact CB-O 3.44Å; T222-Q365 PolarHBondContact OG1-O 3.42Å; Y333-Q365 VanDerWaalsContact O-CA 3.28Å; Y333-Q365 WeakPolarHBondContact O-CA 3.48Å; Q334-Q365 HydrophobicContact CB-CG 4.24Å; P362-Q365 WeakPolarHBondContact O-CB 3.34Å; P362-Q365 VanDerWaalsContact O-CG 3.28Å; P362-Q365 WeakPolarHBondContact O-CG 3.46Å; P362-Q365 PolarHBondContact O-N 3.13Å; P362-Q365 VanDerWaalsContact O-N 3.14Å; E363-Q365 VanDerWaalsContact C-N 3.33Å
366F98.8Very high97.5Very high2 Ų242.3 Ų42.31%0.00924%0.238CC..EExtended strand (participates in β ladder)trans-146159.2178.468.7-91.3000112.6T222 M224 M233 V256 L311 L327 K332 Y333 P335 A368T222-F366 HydrophobicContact CG2-CB 3.81Å; T222-F366 CarbonylContact O-C 3.54Å; T222-F366 WeakPolarHBondContact O-CA 3.42Å; T222-F366 VanDerWaalsContact O-CB 3.27Å; T222-F366 WeakPolarHBondContact O-CB 3.4Å; M224-F366 HydrophobicContact CB-CD2 3.51Å; M224-F366 HydrophobicContact CB-CE2 3.8Å; M224-F366 HydrophobicContact CB-CG 4.13Å; M224-F366 HydrophobicContact CG-CB 3.82Å; M224-F366 HydrophobicContact CG-CD1 4.1Å; M224-F366 HydrophobicContact CG-CD2 3.44Å; M224-F366 VanDerWaalsContact CG-CD2 3.44Å; M224-F366 HydrophobicContact CG-CE2 3.97Å; M224-F366 HydrophobicContact CG-CG 3.52Å; M224-F366 HydrophobicContact CG-CZ 4.5Å; M233-F366 HydrophobicContact CE-CD1 4.07Å; M233-F366 HydrophobicContact CE-CE1 3.73Å; M233-F366 HydrophobicContact CE-CZ 4.37Å; V256-F366 HydrophobicContact CG1-CE1 4.31Å; V256-F366 HydrophobicContact CG1-CZ 4.09Å; L311-F366 HydrophobicContact CD1-CE2 3.87Å; L311-F366 HydrophobicContact CD1-CZ 3.76Å; L327-F366 HydrophobicContact CD1-CE2 3.77Å; L327-F366 HydrophobicContact CD1-CZ 3.71Å; K332-F366 CarbonylContact C-O 3.55Å; K332-F366 WeakPolarHBondContact CA-O 3.45Å; Y333-F366 HydrophobicContact CD2-CE2 4.08Å; Y333-F366 HydrophobicContact CD2-CZ 4.45Å; Y333-F366 HydrophobicContact CG-CE2 4.48Å; Y333-F366 HydrophobicContact CG-CZ 4.42Å; Y333-F366 PolarHBondContact N-O 2.83Å; Y333-F366 PolarHBondContact O-N 2.9Å; Y333-F366 VanDerWaalsContact O-N 3.11Å; P335-F366 HydrophobicContact CG-CD1 4.24Å; P335-F366 HydrophobicContact CG-CE1 3.94Å; F366-A368 HydrophobicContact CE2-CB 4.13Å
367I98.6Very high98Very high3 Ų338.5 Ų38.52%0.01522%0.215CC..EExtended strand (participates in β ladder)trans-98.2128.1166.9-60.3173.5000108.4T222 E223 M224 W271 H331 K332 V369T222-I367 PolarHBondContact O-N 3.49Å; E223-I367 CarbonylContact C-O 3.6Å; E223-I367 WeakPolarHBondContact CA-O 3.35Å; M224-I367 PolarHBondContact N-O 3.29Å; W271-I367 HydrophobicContact CB-CD1 4.27Å; W271-I367 HydrophobicContact CD2-CD1 3.44Å; W271-I367 VanDerWaalsContact CD2-CD1 3.44Å; W271-I367 HydrophobicContact CE3-CD1 3.8Å; W271-I367 HydrophobicContact CG-CD1 3.67Å; W271-I367 HydrophobicContact CH2-CB 4.48Å; W271-I367 HydrophobicContact CH2-CD1 4.47Å; W271-I367 HydrophobicContact CH2-CG2 3.68Å; W271-I367 HydrophobicContact CZ2-CB 4.36Å; W271-I367 HydrophobicContact CZ2-CD1 4.2Å; W271-I367 HydrophobicContact CZ2-CG2 4.04Å; W271-I367 HydrophobicContact CZ3-CD1 4.29Å; W271-I367 HydrophobicContact CZ3-CG2 3.95Å; H331-I367 WeakPolarHBondContact O-CA 3.41Å; K332-I367 HydrophobicContact CB-CG1 4.16Å; K332-I367 HydrophobicContact CG-CG1 3.97Å; I367-V369 HydrophobicContact CG2-CG1 4.1Å
368A98.5Very high98.1Very high0 Ų038 Ų380%021%0.214CC..EExtended strand (participates in β ladder)trans-78.7131.8176.600000109.7M224 I226 L327 S329 L330 H331 Y333 F366M224-A368 WeakPolarHBondContact O-CA 3.2Å; I226-A368 HydrophobicContact CD1-CB 4.18Å; I226-A368 HydrophobicContact CG2-CB 3.98Å; L327-A368 HydrophobicContact CB-CB 4.33Å; L327-A368 HydrophobicContact CD1-CB 4.18Å; S329-A368 CarbonylContact C-O 3.6Å; L330-A368 PolarHBondContact N-O 2.92Å; H331-A368 PolarHBondContact O-N 2.89Å; Y333-A368 HydrophobicContact CD2-CB 3.9Å; Y333-A368 HydrophobicContact CE2-CB 3.59Å; F366-A368 HydrophobicContact CE2-CB 4.13Å
369V98.7Very high98.1Very high0 Ų037.9 Ų37.90%021%0.21CC..EExtended strand (participates in β ladder)trans-139.8153.1-174.8-60.40000111.6E223 M224 I225 I226 W271 L330 I367 A371 Y372 Q373E223-V369 HydrophobicContact CB-CG1 4.43Å; E223-V369 HydrophobicContact CB-CG2 3.96Å; M224-V369 PolarHBondContact O-N 2.88Å; I225-V369 CarbonylContact C-O 3.55Å; I225-V369 VanDerWaalsContact CA-O 3.24Å; I225-V369 WeakPolarHBondContact CA-O 3.35Å; I225-V369 HydrophobicContact CD1-CG2 4.12Å; I226-V369 PolarHBondContact N-O 2.84Å; W271-V369 HydrophobicContact CH2-CG1 3.8Å; W271-V369 HydrophobicContact CZ2-CG1 4.04Å; L330-V369 HydrophobicContact CD2-CG1 4.46Å; I367-V369 HydrophobicContact CG2-CG1 4.1Å; V369-A371 WeakPolarHBondContact CB-O 3.36Å; V369-A371 WeakPolarHBondContact CG2-O 3.27Å; V369-Y372 HydrophobicContact CG2-CD1 4.34Å; V369-Q373 HydrophobicContact CG1-CG 4.28Å
370T98.4Very high98.1Very high85 Ų8537.1 Ų37.152%0.52121%0.208SC..SBendtrans-85.1-28.617444.60000112.9I226I226-T370 HydrophobicContact CG1-CG2 4.47Å
371A98.4Very high98.1Very high54 Ų5434.1 Ų34.145%0.44619%0.189SC..SBendtrans-142.1153.2169.900000108.3V369 Q373V369-A371 WeakPolarHBondContact CB-O 3.36Å; V369-A371 WeakPolarHBondContact CG2-O 3.27Å; A371-Q373 PolarHBondContact O-NE2 2.91Å
372Y98.6Very high98Very high72 Ų7233.6 Ų33.628%0.28219%0.187SC..  trans-63.4145.6178.9-63.9-57.1000111.4E223 I225 V369 I377 T378 K381E223-Y372 HydrophobicContact CB-CD1 4.03Å; E223-Y372 HydrophobicContact CB-CE1 4.38Å; E223-Y372 WeakPolarHBondContact OE2-CA 3.3Å; I225-Y372 HydrophobicContact CD1-CD1 4.03Å; I225-Y372 HydrophobicContact CD1-CD2 4.29Å; I225-Y372 HydrophobicContact CD1-CE1 3.98Å; I225-Y372 HydrophobicContact CD1-CE2 4.24Å; I225-Y372 HydrophobicContact CD1-CG 4.17Å; I225-Y372 HydrophobicContact CG1-CD1 4.12Å; I225-Y372 HydrophobicContact CG1-CE1 3.54Å; I225-Y372 HydrophobicContact CG1-CE2 3.98Å; I225-Y372 VanDerWaalsContact CG1-CZ 3.45Å; V369-Y372 HydrophobicContact CG2-CD1 4.34Å; Y372-I377 HydrophobicContact CD1-CG2 4.12Å; Y372-I377 HydrophobicContact CE1-CG2 4.3Å; Y372-T378 VanDerWaalsContact CB-OG1 3.24Å; Y372-T378 WeakPolarHBondContact CB-OG1 3.24Å; Y372-T378 HydrophobicContact CD2-CG2 4.28Å; Y372-K381 HydrophobicContact CE1-CD 4.3Å; Y372-K381 HydrophobicContact CE1-CG 4.21Å; Y372-K381 HydrophobicContact CE2-CG 4.06Å; Y372-K381 WeakPolarHBondContact OH-CD 3.4Å; Y372-K381 WeakPolarHBondContact OH-CE 3.3Å; Y372-K381 WeakPolarHBondContact OH-CG 3.45Å
373Q98.4Very high97.9Very high76 Ų7633.6 Ų33.636%0.35518%0.183SC..  trans-107.1-45.3179.4-52.1-62.3-74.200110.9E223 F266 W271 V369 A371E223-Q373 PolarHBondContact OE1-N 2.79Å; E223-Q373 PolarHBondContact OE2-N 3.5Å; F266-Q373 HydrophobicContact CB-CB 3.59Å; F266-Q373 HydrophobicContact CB-CG 4.07Å; F266-Q373 HydrophobicContact CD1-CB 3.75Å; F266-Q373 HydrophobicContact CD2-CB 4.37Å; F266-Q373 HydrophobicContact CE1-CB 4.49Å; F266-Q373 VanDerWaalsContact CE1-O 3.27Å; F266-Q373 WeakPolarHBondContact CE1-O 3.44Å; F266-Q373 HydrophobicContact CG-CB 3.67Å; W271-Q373 HydrophobicContact CH2-CB 4.24Å; W271-Q373 HydrophobicContact CH2-CG 3.62Å; W271-Q373 HydrophobicContact CZ2-CB 3.84Å; W271-Q373 HydrophobicContact CZ2-CG 3.67Å; V369-Q373 HydrophobicContact CG1-CG 4.28Å; A371-Q373 PolarHBondContact O-NE2 2.91Å
374N97.6Very high97.8Very high15 Ų1535.8 Ų35.88%0.0819%0.193CC..  trans-85.6126.3174.8-170.8-4.6000111.8H220 E223 F266 D376 I377 T378H220-N374 PolarHBondContact O-ND2 2.86Å; E223-N374 VanDerWaalsContact OE1-CB 3.3Å; E223-N374 WeakPolarHBondContact OE1-CB 3.37Å; E223-N374 PolarHBondContact OE1-N 3.03Å; F266-N374 HydrophobicContact CE1-CB 4.47Å; F266-N374 HydrophobicContact CE2-CB 4.13Å; F266-N374 HydrophobicContact CZ-CB 3.83Å; N374-D376 VanDerWaalsContact C-N 3.34Å; N374-D376 WeakPolarHBondContact OD1-CB 3.34Å; N374-D376 PolarHBondContact OD1-N 3.02Å; N374-I377 HydrophobicContact CB-CB 4.2Å; N374-I377 HydrophobicContact CB-CG1 3.93Å; N374-I377 PolarHBondContact O-N 3.25Å; N374-T378 PolarHBondContact O-N 3.39Å; N374-T378 VanDerWaalsContact O-N 3.16Å; N374-T378 PolarHBondContact O-OG1 2.89Å; N374-T378 VanDerWaalsContact O-OG1 3.11Å
375T96.4Very high97.8Very high81 Ų8136.9 Ų36.950%0.49720%0.199SC..Hα-helixtrans-63.9-35.4173.442.10000112.6I377 T378 Q379T375-I377 VanDerWaalsContact C-N 3.32Å; T375-I377 PolarHBondContact O-N 3.35Å; T375-T378 WeakPolarHBondContact O-CA 2.99Å; T375-T378 WeakPolarHBondContact O-CB 3.5Å; T375-T378 PolarHBondContact O-N 3.38Å; T375-T378 VanDerWaalsContact O-N 3.12Å; T375-Q379 PolarHBondContact O-N 3.1Å
376D97.1Very high97.6Very high70 Ų7039.6 Ų39.637%0.37422%0.22SC..Hα-helixtrans-62.5-42.4177.8-52.3-16000111H220 N374 T378 Q379 L380H220-D376 HydrophobicContact CB-CB 4.24Å; H220-D376 IonicContact CE1-OD2 3.49Å; H220-D376 PolarHBondContact CE1-OD2 3.12Å; H220-D376 IonicContact CG-OD2 2.83Å; H220-D376 VanDerWaalsContact ND1-CB 3.3Å; H220-D376 WeakPolarHBondContact ND1-CB 3.47Å; H220-D376 IonicContact ND1-OD2 2.78Å; H220-D376 PolarHBondContact ND1-OD2 3.4Å; N374-D376 VanDerWaalsContact C-N 3.34Å; N374-D376 WeakPolarHBondContact OD1-CB 3.34Å; N374-D376 PolarHBondContact OD1-N 3.02Å; D376-T378 VanDerWaalsContact C-N 3.33Å; D376-Q379 PolarHBondContact O-N 2.93Å; D376-L380 WeakPolarHBondContact O-CG 3.24Å; D376-L380 PolarHBondContact O-N 3.16Å
377I98.2Very high97.4Very high0 Ų048 Ų480%026%0.257CS..Hα-helixtrans-61.8-47174.8-67.6-69.6000108.8F217 H220 E223 Y372 N374 T375 Q379 L380 K381F217-I377 HydrophobicContact CD1-CD1 3.95Å; H220-I377 HydrophobicContact CB-CD1 3.66Å; H220-I377 HydrophobicContact CB-CG1 4.02Å; E223-I377 HydrophobicContact CB-CG2 4.02Å; E223-I377 HydrophobicContact CG-CG1 4.32Å; E223-I377 HydrophobicContact CG-CG2 4.26Å; Y372-I377 HydrophobicContact CD1-CG2 4.12Å; Y372-I377 HydrophobicContact CE1-CG2 4.3Å; N374-I377 HydrophobicContact CB-CB 4.2Å; N374-I377 HydrophobicContact CB-CG1 3.93Å; N374-I377 PolarHBondContact O-N 3.25Å; T375-I377 VanDerWaalsContact C-N 3.32Å; T375-I377 PolarHBondContact O-N 3.35Å; I377-Q379 VanDerWaalsContact C-N 3.31Å; I377-Q379 PolarHBondContact O-N 2.94Å; I377-L380 PolarHBondContact O-N 3.19Å; I377-K381 HydrophobicContact CG2-CG 4.38Å; I377-K381 VanDerWaalsContact O-CG 3.24Å; I377-K381 WeakPolarHBondContact O-CG 3.36Å; I377-K381 PolarHBondContact O-N 3.43Å
378T97.1Very high97.2Very high25 Ų2548.6 Ų48.615%0.15326%0.262CS..Hα-helixtrans-56.3-43.9178.5-56.10000112Y372 N374 T375 D376 K381 I382 Y395Y372-T378 VanDerWaalsContact CB-OG1 3.24Å; Y372-T378 WeakPolarHBondContact CB-OG1 3.24Å; Y372-T378 HydrophobicContact CD2-CG2 4.28Å; N374-T378 PolarHBondContact O-N 3.39Å; N374-T378 VanDerWaalsContact O-N 3.16Å; N374-T378 PolarHBondContact O-OG1 2.89Å; N374-T378 VanDerWaalsContact O-OG1 3.11Å; T375-T378 WeakPolarHBondContact O-CA 2.99Å; T375-T378 WeakPolarHBondContact O-CB 3.5Å; T375-T378 PolarHBondContact O-N 3.38Å; T375-T378 VanDerWaalsContact O-N 3.12Å; D376-T378 VanDerWaalsContact C-N 3.33Å; T378-K381 WeakPolarHBondContact O-CB 3.29Å; T378-K381 PolarHBondContact O-N 3.24Å; T378-I382 HydrophobicContact CG2-CD1 4.16Å; T378-I382 WeakPolarHBondContact O-CG1 3.37Å; T378-I382 PolarHBondContact O-N 2.92Å; T378-I382 VanDerWaalsContact O-N 3.11Å; T378-Y395 HydrophobicContact CG2-CE2 3.86Å
379Q96.2Very high96.8Very high55 Ų5555 Ų5526%0.25729%0.29SS..Hα-helixtrans-61.2-52173.1-81.5-69.9-77.800112.6T375 D376 I377 K381 I382 D383 Y395T375-Q379 PolarHBondContact O-N 3.1Å; D376-Q379 PolarHBondContact O-N 2.93Å; I377-Q379 VanDerWaalsContact C-N 3.31Å; I377-Q379 PolarHBondContact O-N 2.94Å; Q379-K381 PolarHBondContact O-N 3.49Å; Q379-K381 VanDerWaalsContact O-N 3.1Å; Q379-I382 WeakPolarHBondContact O-CA 3.49Å; Q379-I382 PolarHBondContact O-N 3.35Å; Q379-D383 PolarHBondContact O-N 3.11Å; Q379-Y395 HydrophobicContact CG-CD1 4.21Å; Q379-Y395 HydrophobicContact CG-CE1 3.78Å; Q379-Y395 VanDerWaalsContact NE2-CE1 3.34Å
380L97.7Very high96.5Very high24 Ų2458.2 Ų58.213%0.12632%0.323CS..Hα-helixtrans-55.7-33.6176.6-71.8172.9000112.5K216 F217 D376 I377 H384K216-L380 HydrophobicContact CB-CD2 4.5Å; K216-L380 HydrophobicContact CD-CD2 4.42Å; F217-L380 HydrophobicContact CD1-CB 4.01Å; F217-L380 HydrophobicContact CD1-CD1 4.21Å; F217-L380 HydrophobicContact CE1-CB 3.4Å; F217-L380 HydrophobicContact CE1-CD1 4.44Å; F217-L380 HydrophobicContact CE2-CB 4.36Å; F217-L380 VanDerWaalsContact CZ-C 3.48Å; F217-L380 HydrophobicContact CZ-CB 3.62Å; F217-L380 WeakPolarHBondContact CZ-O 3.24Å; D376-L380 WeakPolarHBondContact O-CG 3.24Å; D376-L380 PolarHBondContact O-N 3.16Å; I377-L380 PolarHBondContact O-N 3.19Å; L380-H384 WeakPolarHBondContact O-CB 3.44Å; L380-H384 PolarHBondContact O-N 3.32Å; L380-H384 PolarHBondContact O-ND1 3.29Å
381K98Very high96.1Very high7 Ų760 Ų603%0.0332%0.324CS..Hα-helixtrans-66.3-47.1172.4-57.1-73.3176.6167.20111.3F217 E223 F234 Y372 I377 T378 Q379 N385F217-K381 HydrophobicContact CE1-CD 3.68Å; F217-K381 HydrophobicContact CE1-CG 4.07Å; F217-K381 HydrophobicContact CZ-CD 3.98Å; F217-K381 HydrophobicContact CZ-CG 4.47Å; E223-K381 WeakPolarHBondContact O-CE 3.45Å; E223-K381 PolarHBondContact O-NZ 2.98Å; F234-K381 HydrophobicContact CD1-CD 3.95Å; F234-K381 PolarHBondContact O-NZ 2.9Å; Y372-K381 HydrophobicContact CE1-CD 4.3Å; Y372-K381 HydrophobicContact CE1-CG 4.21Å; Y372-K381 HydrophobicContact CE2-CG 4.06Å; Y372-K381 WeakPolarHBondContact OH-CD 3.4Å; Y372-K381 WeakPolarHBondContact OH-CE 3.3Å; Y372-K381 WeakPolarHBondContact OH-CG 3.45Å; I377-K381 HydrophobicContact CG2-CG 4.38Å; I377-K381 VanDerWaalsContact O-CG 3.24Å; I377-K381 WeakPolarHBondContact O-CG 3.36Å; I377-K381 PolarHBondContact O-N 3.43Å; T378-K381 WeakPolarHBondContact O-CB 3.29Å; T378-K381 PolarHBondContact O-N 3.24Å; Q379-K381 PolarHBondContact O-N 3.49Å; Q379-K381 VanDerWaalsContact O-N 3.1Å; K381-N385 WeakPolarHBondContact O-CA 3.44Å; K381-N385 WeakPolarHBondContact O-CB 3.48Å; K381-N385 PolarHBondContact O-N 2.78Å
382I96.8Very high95.8Very high13 Ų1361.8 Ų61.87%0.06732%0.319CS..Hα-helixtrans-62.8-45.2-177.8-71.5167.4000111T378 Q379 A388 F391 R392 Y395T378-I382 HydrophobicContact CG2-CD1 4.16Å; T378-I382 WeakPolarHBondContact O-CG1 3.37Å; T378-I382 PolarHBondContact O-N 2.92Å; T378-I382 VanDerWaalsContact O-N 3.11Å; Q379-I382 WeakPolarHBondContact O-CA 3.49Å; Q379-I382 PolarHBondContact O-N 3.35Å; I382-A388 HydrophobicContact CG1-CB 4.42Å; I382-F391 HydrophobicContact CD1-CB 3.91Å; I382-F391 HydrophobicContact CG1-CB 4.03Å; I382-F391 HydrophobicContact CG2-CB 4.03Å; I382-R392 HydrophobicContact CG2-CB 4.29Å; I382-R392 HydrophobicContact CG2-CG 3.52Å; I382-R392 VanDerWaalsContact O-CZ 3.26Å; I382-R392 PolarHBondContact O-NE 3.14Å; I382-R392 PolarHBondContact O-NH2 3.07Å; I382-Y395 HydrophobicContact CD1-CD2 3.35Å; I382-Y395 HydrophobicContact CD1-CE2 3.71Å; I382-Y395 HydrophobicContact CD1-CG 4.25Å
383D96.6Very high94.9Very high75 Ų7565 Ų6540%0.40134%0.341SS..Hα-helixtrans-66.2-39.2-179.5-68.9-19.2000114.3Q379 R392Q379-D383 PolarHBondContact O-N 3.11Å; D383-R392 PolarHBondContact O-NH1 3.12Å; D383-R392 PolarHBondContact O-NH2 3.1Å
384H97Very high93.7Very high55 Ų5565.4 Ų65.426%0.25535%0.346SS..Hα-helixtrans-105.3-22-169.7-58.583.9000113.3L213 K216 F234 L380 P386L213-H384 HydrophobicContact CD1-CB 3.99Å; L213-H384 WeakPolarHBondContact CD1-CD2 3.4Å; L213-H384 HydrophobicContact CD2-CB 4.43Å; K216-H384 PolarHBondContact NZ-NE2 3.03Å; F234-H384 HydrophobicContact CE1-CB 3.91Å; F234-H384 HydrophobicContact CZ-CB 3.86Å; F234-H384 VanDerWaalsContact CZ-O 3.29Å; F234-H384 WeakPolarHBondContact CZ-O 3.33Å; L380-H384 WeakPolarHBondContact O-CB 3.44Å; L380-H384 PolarHBondContact O-N 3.32Å; L380-H384 PolarHBondContact O-ND1 3.29Å; H384-P386 WeakPolarHBondContact O-CD 3.41Å
385N97Very high92.3Very high23 Ų2365.7 Ų65.712%0.12335%0.346CS..  trans-88.1119.5179.4-170-14.9000111.2F234 K381 F387 A388 R392F234-N385 HydrophobicContact CD1-CB 3.96Å; F234-N385 HydrophobicContact CD2-CB 3.91Å; F234-N385 HydrophobicContact CE1-CB 3.86Å; F234-N385 HydrophobicContact CE2-CB 3.8Å; F234-N385 HydrophobicContact CG-CB 4Å; F234-N385 HydrophobicContact CZ-CB 3.8Å; K381-N385 WeakPolarHBondContact O-CA 3.44Å; K381-N385 WeakPolarHBondContact O-CB 3.48Å; K381-N385 PolarHBondContact O-N 2.78Å; N385-F387 PolarHBondContact O-N 3.2Å; N385-F387 WeakPolarHBondContact OD1-CB 3.5Å; N385-F387 WeakPolarHBondContact OD1-CD2 3.5Å; N385-F387 PolarHBondContact OD1-N 3.24Å; N385-A388 HydrophobicContact CB-CB 4.1Å; N385-A388 PolarHBondContact O-N 2.91Å; N385-R392 PolarHBondContact O-NH2 3.41Å
386P95.8Very high91Very high97 Ų9766.5 Ų66.563%0.6335%0.347SS*.G310 helixtrans-57.6-34.9176.6-25.435.6000113.2H384 A388 K389H384-P386 WeakPolarHBondContact O-CD 3.41Å; P386-A388 PolarHBondContact O-N 3.11Å; P386-K389 WeakPolarHBondContact O-CB 3.5Å; P386-K389 PolarHBondContact O-N 2.94Å
387F94.3Very high89.8Confident179 Ų17968 Ų6879%0.78536%0.359SS*.G310 helixtrans-73.8-2.6179.3-57.2-72.4000114N385N385-F387 PolarHBondContact O-N 3.2Å; N385-F387 WeakPolarHBondContact OD1-CB 3.5Å; N385-F387 WeakPolarHBondContact OD1-CD2 3.5Å; N385-F387 PolarHBondContact OD1-N 3.24Å
388A94.1Very high88.4Confident15 Ų1573 Ų7312%0.12438%0.384CS..G310 helixtrans-112.96.817600000113.1I382 N385 P386 G390 F391I382-A388 HydrophobicContact CG1-CB 4.42Å; N385-A388 HydrophobicContact CB-CB 4.1Å; N385-A388 PolarHBondContact O-N 2.91Å; P386-A388 PolarHBondContact O-N 3.11Å; A388-G390 VanDerWaalsContact C-N 3.25Å; A388-G390 PolarHBondContact O-N 2.91Å; A388-G390 VanDerWaalsContact O-N 3.14Å; A388-F391 PolarHBondContact O-N 2.73Å; A388-F391 VanDerWaalsContact O-N 3.1Å
389K91.4Very high86.9Confident134 Ų13479 Ų7958%0.58341%0.405SS*.G310 helixtrans-52.5-39.9-174.4-172.2-173.6174.3-171.80113.5P386 F391 R392P386-K389 WeakPolarHBondContact O-CB 3.5Å; P386-K389 PolarHBondContact O-N 2.94Å; K389-F391 PolarHBondContact O-N 2.96Å; K389-R392 WeakPolarHBondContact O-CB 3.47Å; K389-R392 WeakPolarHBondContact O-CG 3.39Å; K389-R392 PolarHBondContact O-N 3.1Å; K389-R392 VanDerWaalsContact O-N 3.07Å
390G92.2Very high85.4Confident67 Ų6780.6 Ų80.669%0.69142%0.419SS*.G310 helixtrans-65.6-2.3-178.300000116.2A388A388-G390 VanDerWaalsContact C-N 3.25Å; A388-G390 PolarHBondContact O-N 2.91Å; A388-G390 VanDerWaalsContact O-N 3.14Å
391F90.2Very high83.4Confident124 Ų12481.5 Ų81.554%0.54443%0.434SS..G310 helixtrans-101.2-8.1173-63.1-75000113.7I382 A388 K389 N394 Y395I382-F391 HydrophobicContact CD1-CB 3.91Å; I382-F391 HydrophobicContact CG1-CB 4.03Å; I382-F391 HydrophobicContact CG2-CB 4.03Å; A388-F391 PolarHBondContact O-N 2.73Å; A388-F391 VanDerWaalsContact O-N 3.1Å; K389-F391 PolarHBondContact O-N 2.96Å; F391-N394 PolarHBondContact O-N 3.2Å; F391-Y395 WeakPolarHBondContact O-CB 3.43Å; F391-Y395 PolarHBondContact O-N 2.84Å; F391-Y395 VanDerWaalsContact O-N 3.1Å
392R90.5Very high81.3Confident90 Ų9086.3 Ų86.334%0.3447%0.467SS..G310 helixtrans-63.7-51.5-174.8-70172.7-167.3-157.92112I382 D383 N385 K389 N394I382-R392 HydrophobicContact CG2-CB 4.29Å; I382-R392 HydrophobicContact CG2-CG 3.52Å; I382-R392 VanDerWaalsContact O-CZ 3.26Å; I382-R392 PolarHBondContact O-NE 3.14Å; I382-R392 PolarHBondContact O-NH2 3.07Å; D383-R392 PolarHBondContact O-NH1 3.12Å; D383-R392 PolarHBondContact O-NH2 3.1Å; N385-R392 PolarHBondContact O-NH2 3.41Å; K389-R392 WeakPolarHBondContact O-CB 3.47Å; K389-R392 WeakPolarHBondContact O-CG 3.39Å; K389-R392 PolarHBondContact O-N 3.1Å; K389-R392 VanDerWaalsContact O-N 3.07Å; R392-N394 PolarHBondContact O-N 3.02Å; R392-N394 VanDerWaalsContact O-N 3.12Å
393D80.4Confident79.2Confident139 Ų13992 Ų9274%0.74350%0.498SS*.G310 helixtrans-75.5-1.6-172.5-44-53.8000112.9
394N72.3Confident77.2Confident85 Ų8594.8 Ų94.846%0.45551%0.51SS..G310 helixtrans-132-8-170.8-98.8114.2000115.2F391 R392 D396 T397 I398F391-N394 PolarHBondContact O-N 3.2Å; R392-N394 PolarHBondContact O-N 3.02Å; R392-N394 VanDerWaalsContact O-N 3.12Å; N394-D396 PolarHBondContact O-N 3.5Å; N394-T397 PolarHBondContact O-N 3.49Å; N394-I398 HydrophobicContact CB-CD1 4.13Å; N394-I398 WeakPolarHBondContact O-CD1 3.31Å; N394-I398 VanDerWaalsContact O-CG1 3.31Å; N394-I398 WeakPolarHBondContact O-CG1 3.5Å; N394-I398 PolarHBondContact O-N 3.16Å
395Y69.8Low75.1Confident22 Ų2299.5 Ų99.59%0.08654%0.537CS..Hα-helixtrans-62.8-47.3-170.4-175.1-91.5000112.8T378 Q379 I382 F391 T397 I398 Y399T378-Y395 HydrophobicContact CG2-CE2 3.86Å; Q379-Y395 HydrophobicContact CG-CD1 4.21Å; Q379-Y395 HydrophobicContact CG-CE1 3.78Å; Q379-Y395 VanDerWaalsContact NE2-CE1 3.34Å; I382-Y395 HydrophobicContact CD1-CD2 3.35Å; I382-Y395 HydrophobicContact CD1-CE2 3.71Å; I382-Y395 HydrophobicContact CD1-CG 4.25Å; F391-Y395 WeakPolarHBondContact O-CB 3.43Å; F391-Y395 PolarHBondContact O-N 2.84Å; F391-Y395 VanDerWaalsContact O-N 3.1Å; Y395-T397 PolarHBondContact O-N 2.79Å; Y395-I398 PolarHBondContact O-N 2.98Å; Y395-I398 VanDerWaalsContact O-N 3.07Å; Y395-Y399 HydrophobicContact CD1-CD2 4.24Å; Y395-Y399 AromaticContact CD2-CD2 3.65Å; Y395-Y399 HydrophobicContact CD2-CD2 3.65Å; Y395-Y399 AromaticContact CD2-CE2 3.91Å; Y395-Y399 HydrophobicContact CD2-CE2 3.91Å; Y395-Y399 HydrophobicContact CE1-CD2 4.05Å; Y395-Y399 HydrophobicContact CE1-CG 4.3Å; Y395-Y399 AromaticContact CE2-CD2 3.44Å; Y395-Y399 HydrophobicContact CE2-CD2 3.44Å; Y395-Y399 VanDerWaalsContact CE2-CD2 3.44Å; Y395-Y399 AromaticContact CE2-CE2 3.6Å; Y395-Y399 HydrophobicContact CE2-CE2 3.6Å; Y395-Y399 HydrophobicContact CE2-CG 4.28Å; Y395-Y399 HydrophobicContact CG-CD2 4.08Å; Y395-Y399 AromaticContact CZ-CD2 3.67Å; Y395-Y399 PolarHBondContact O-N 3.07Å
396D68.7Low72.7Confident97 Ų97108.3 Ų108.352%0.51957%0.569SS.*Hα-helixtrans-60.5-46.7-179.9-61.9-35000110.6N394 I398 Y399 T400 G401N394-D396 PolarHBondContact O-N 3.5Å; D396-I398 PolarHBondContact O-N 3.07Å; D396-I398 VanDerWaalsContact O-N 3.07Å; D396-Y399 PolarHBondContact O-N 3.21Å; D396-Y399 VanDerWaalsContact O-N 3.16Å; D396-T400 PolarHBondContact O-N 3.45Å; D396-T400 PolarHBondContact O-OG1 2.83Å; D396-G401 PolarHBondContact O-N 3.4Å
397T72.2Confident70.6Confident102 Ų102110.1 Ų110.163%0.62657%0.572SS**Hα-helixtrans-54.8-31.9175.6-38.90000113.2N394 Y395N394-T397 PolarHBondContact O-N 3.49Å; Y395-T397 PolarHBondContact O-N 2.79Å
398I67.6Low68.4Low104 Ų104106.9 Ų106.953%0.53357%0.568SS.*Hα-helixtrans-86.6-32.3-178-65.6167.4000112.4N394 Y395 D396N394-I398 HydrophobicContact CB-CD1 4.13Å; N394-I398 WeakPolarHBondContact O-CD1 3.31Å; N394-I398 VanDerWaalsContact O-CG1 3.31Å; N394-I398 WeakPolarHBondContact O-CG1 3.5Å; N394-I398 PolarHBondContact O-N 3.16Å; Y395-I398 PolarHBondContact O-N 2.98Å; Y395-I398 VanDerWaalsContact O-N 3.07Å; D396-I398 PolarHBondContact O-N 3.07Å; D396-I398 VanDerWaalsContact O-N 3.07Å
399Y65.3Low66.2Low151 Ų151111.8 Ų111.859%0.59260%0.598SS**Hα-helixtrans-115.8-20.4-170.9-73.5-79.3000116Y395 D396Y395-Y399 HydrophobicContact CD1-CD2 4.24Å; Y395-Y399 AromaticContact CD2-CD2 3.65Å; Y395-Y399 HydrophobicContact CD2-CD2 3.65Å; Y395-Y399 AromaticContact CD2-CE2 3.91Å; Y395-Y399 HydrophobicContact CD2-CE2 3.91Å; Y395-Y399 HydrophobicContact CE1-CD2 4.05Å; Y395-Y399 HydrophobicContact CE1-CG 4.3Å; Y395-Y399 AromaticContact CE2-CD2 3.44Å; Y395-Y399 HydrophobicContact CE2-CD2 3.44Å; Y395-Y399 VanDerWaalsContact CE2-CD2 3.44Å; Y395-Y399 AromaticContact CE2-CE2 3.6Å; Y395-Y399 HydrophobicContact CE2-CE2 3.6Å; Y395-Y399 HydrophobicContact CE2-CG 4.28Å; Y395-Y399 HydrophobicContact CG-CD2 4.08Å; Y395-Y399 AromaticContact CZ-CD2 3.67Å; Y395-Y399 PolarHBondContact O-N 3.07Å; D396-Y399 PolarHBondContact O-N 3.21Å; D396-Y399 VanDerWaalsContact O-N 3.16Å
400T66.2Low64.1Low90 Ų90110.3 Ų110.355%0.55261%0.605SS**THydrogen-bonded Turntrans-108.6-5.6175.667.70000113.1D396 C402D396-T400 PolarHBondContact O-N 3.45Å; D396-T400 PolarHBondContact O-OG1 2.83Å; T400-C402 PolarHBondContact O-N 2.88Å
401G55.1Low62.1Low42 Ų42113.1 Ų113.143%0.43361%0.611SS.*THydrogen-bonded Turntrans-66.221.4-178.500000117.4D396D396-G401 PolarHBondContact O-N 3.4Å
402C54.7Low59.9Low108 Ų108114.2 Ų114.273%0.7362%0.622SS**THydrogen-bonded Turntrans-101.6-12.3176.2-70.70000114.4T400T400-C402 PolarHBondContact O-N 2.88Å
403D51.9Low57.4Low133 Ų133117.9 Ų117.971%0.71165%0.649SS**SBendtrans-115.8-2.1-172-79.1-67.3000115.6
404M55Low55.8Low134 Ų134116.6 Ų116.666%0.6665%0.651SS**SBendtrans-86.4-47177.4-109-69.6118.200113.5R406 L407M404-R406 PolarHBondContact O-N 2.94Å; M404-L407 HydrophobicContact CE-CD1 4.13Å; M404-L407 PolarHBondContact O-N 3.47Å
405D53.3Low54.4Low154 Ų154118.5 Ų118.582%0.82467%0.667SS**THydrogen-bonded Turntrans-75.214.8-173.8-65.2-57.2000115
406R46.2Very low52.8Low207 Ų207128.9 Ų128.978%0.78171%0.706SS**THydrogen-bonded Turntrans-100.7-1.2173-97.4-178.8172.4161.2-0.5114.9M404 T408M404-R406 PolarHBondContact O-N 2.94Å; R406-T408 PolarHBondContact O-N 3.38Å
407L52.1Low51.8Low135 Ų135130.1 Ų130.171%0.70772%0.723SS**  trans-75.971.6163.3-64.5-178.6000110.2M404 P409M404-L407 HydrophobicContact CE-CD1 4.13Å; M404-L407 PolarHBondContact O-N 3.47Å; L407-P409 VanDerWaalsContact O-CD 3.3Å; L407-P409 WeakPolarHBondContact O-CD 3.3Å
408T48.3Very low50.5Low112 Ų112133.9 Ų133.969%0.68773%0.733SS**  trans-57.6118166.849.20000108.7R406 S410R406-T408 PolarHBondContact O-N 3.38Å; T408-S410 PolarHBondContact O-N 3.46Å
409P47.8Very low49.4Very low118 Ų118136.1 Ų136.177%0.76675%0.745SS**  trans-69.9106.4177.427.9-32.5000108.4L407 P411L407-P409 VanDerWaalsContact O-CD 3.3Å; L407-P409 WeakPolarHBondContact O-CD 3.3Å; P409-P411 WeakPolarHBondContact O-CD 3.21Å
410S45.6Very low48.7Very low103 Ų103135.7 Ų135.772%0.7276%0.758SS**  trans-52.8111.5-178.1-64.90000111T408 N412T408-S410 PolarHBondContact O-N 3.46Å; S410-N412 PolarHBondContact O-N 2.93Å
411P50Low47.5Very low125 Ų125137 Ų13781%0.81277%0.767SS**SBendtrans-85.459.8-172.635.1-35000110.8P409P409-P411 WeakPolarHBondContact O-CD 3.21Å
412N44.9Very low46.9Very low148 Ų148138.5 Ų138.579%0.79178%0.783SS**  trans-164.779.4173.6-112.2-13.5000112.3S410S410-N412 PolarHBondContact O-N 2.93Å
413D39Very low46.4Very low167 Ų167137.7 Ų137.789%0.89378%0.784SS**  trans-149.764.1160.1-115.1-37.2000110.4
414S45.1Very low46.1Very low112 Ų112140.5 Ų140.578%0.78379%0.785SS**  trans-84.5122173.7-73.40000110.2R416S414-R416 PolarHBondContact O-N 3.01Å
415P43.3Very low45.5Very low124 Ų124143.4 Ų143.481%0.80579%0.79SS**  trans-75125-173.428.4-34.4000112.9
416R36.1Very low45Very low240 Ų240140.2 Ų140.291%0.90679%0.785SS**  trans57.673.6138.9-167.5-167.917891.4-3116.5S414S414-R416 PolarHBondContact O-N 3.01Å
417S48Very low44.8Very low124 Ų124139 Ų13987%0.86779%0.79SS**  trans-105.4157.215360.90000110.9
418Q45.3Very low44.3Very low180 Ų180137 Ų13784%0.84179%0.793SS**  trans-99.8129.8-157.1-66.6161.9-76.500114.9
419I44.2Very low43.9Very low151 Ų151135.4 Ų135.477%0.77480%0.799SS**  trans26.4104.5133.7-47.9167.7000117.1
420V50.9Low43.5Very low143 Ų143135.1 Ų135.187%0.86780%0.8SS**  -152.3124.1123.1-173.40000109.1
421P40.8Very low43.1Very low116 Ų116139.8 Ų139.875%0.75381%0.808SS**  trans-103.1147.7172.736.4-30.6000113
422G43.5Very low42.8Very low75 Ų75141 Ų14177%0.77381%0.807SS**  trans-173.998175.300000118.6
423A43.5Very low42.5Very low91 Ų91142.5 Ų142.575%0.75281%0.809SS**  trans65.2150.6146.300000120.6
424R45.9Very low42.4Very low192 Ų192139.9 Ų139.973%0.72580%0.795SS**  cis-165158.4-19.1-113.7-167.2-78.6-177.1-10.1109.8
425Y42.4Very low42.1Very low195 Ų195143 Ų14377%0.76580%0.797SS**  trans67.1149.5168.8-55-65.7000117.2
426A42.7Very low41.9Very low86 Ų86145.2 Ų145.271%0.71179%0.794SS**  cis-162.9163.5-23.200000112.2
427M42.1Very low42.1Very low181 Ų181139.9 Ų139.989%0.89279%0.788SS**  trans-21.2156.9156.9-59.8-59.2-160.600118.2
428A41Very low41.5Very low94 Ų94138.4 Ų138.478%0.77778%0.778SS**  cis-177.9172.4-15.400000109.2
429G39.9Very low41.1Very low79 Ų79135.5 Ų135.581%0.81477%0.768SS**  trans127.6114.7149.400000116.3
430S38.3Very low40.8Very low111 Ų111138.3 Ų138.378%0.77677%0.77SS**  trans-75.1158.3167.5-45.10000111.4
431F38.5Very low40.2Very low201 Ų201135.6 Ų135.688%0.88276%0.763SS**  -167.9165.9107.5-117.2-89.3000112.3
432L43.4Very low40.1Very low151 Ų151140.2 Ų140.279%0.79177%0.771SS**  trans-81.5150.3-179.5-65.5156.4000112.1
433Q38.3Very low39.8Very low180 Ų180140.2 Ų140.284%0.84176%0.764SS**  -162141.8124-163.755.14500111.1
434D36.6Very low39.4Very low111 Ų111146.4 Ų146.459%0.59477%0.768SS**  trans-91.3136.5172.8162.235.5000111
435Q39.3Very low39.1Very low177 Ų177146.5 Ų146.583%0.82777%0.774SS**  trans-167.3112141.1-109.7170.76.700116.4
436F39Very low38.9Very low172 Ų172145.5 Ų145.575%0.75478%0.776SS**  57.4145.9122.4-84.2-103.8000125
437V40.4Very low39.1Very low128 Ų128147.4 Ų147.478%0.77678%0.781SS**  trans75.887.6161.1-159.80000121.5
438S36.2Very low38.9Very low93 Ų93142.2 Ų142.265%0.6577%0.773SS**  52.6129.1109.3-146.10000124.3
439N35.8Very low38.9Very low119 Ų119143 Ų14364%0.63678%0.781SS**  trans82.1153.7144-73.2-14.9000123.6
440Y38.5Very low38.8Very low210 Ų210142.7 Ų142.782%0.82478%0.777SS**  trans68.3108.4169.5-44.2-66.7000116.2
441A37.8Very low39Very low86 Ų86142.8 Ų142.871%0.71179%0.785SS**  cis97.2119.925.300000115.9
442K38.2Very low39.1Very low212 Ų212136.7 Ų136.792%0.92278%0.778SS**  trans67.7146.7171.6-57.1176177.8172.90114.6
443A38.9Very low39.1Very low75 Ų75136.1 Ų136.162%0.6278%0.784SS**  cis-164.3162.96.400000111.7
444R35.2Very low39Very low222 Ų222131 Ų13184%0.83878%0.78SS**  trans61.1143.6152.5-61170.4-167.7168.13.6116.4
445F39.1Very low39.5Very low194 Ų194132.5 Ų132.585%0.85180%0.795SS**  -144.8170.351.3-93-93.8000114.6
446H37.3Very low39.5Very low174 Ų174126.8 Ų126.881%0.80678%0.784SS**  trans-125.3-178.6179.3-81.3-69.8000108.5
447P47.8Very low39.7Very low125 Ų125124.9 Ų124.981%0.81279%0.786SS**  cis-138.3-173.8-47.140-24.2000112.6
448G37.6Very low39.5Very low72 Ų72125.6 Ų125.674%0.74279%0.786SS**  trans151.4167.8148.400000114.5
449A41Very low39.6Very low112 Ų112131.7 Ų131.793%0.92679%0.794SS**  cis-174.6140-27.800000108.4
450G38.4Very low39.7Very low72 Ų72131.1 Ų131.174%0.74280%0.8SS**  trans128.7111.4-17900000110.9
451A41.4Very low39.7Very low113 Ų113127.7 Ų127.793%0.93480%0.8SS**  70.6128.167.800000112.1
452G41.4Very low40Very low73 Ų73128.3 Ų128.375%0.75380%0.797SS**  cis-145.3-162.915.100000115.4
453P43.9Very low39.9Very low139 Ų139126.2 Ų126.290%0.90379%0.79SS**  trans-122.5175.2-151.943.1-33.5000116.3
454G35.9Very low39.6Very low73 Ų73127.8 Ų127.875%0.75379%0.793SS**  trans157.6130.1155.200000116.1
455P45.9Very low39.6Very low142 Ų142124.8 Ų124.892%0.92279%0.793SS**  trans-124.5170.8-178.141.9-30000115.9
456G39.7Very low39.6Very low57 Ų57118.9 Ų118.959%0.58879%0.787SS**  trans177.9125.3165.300000111
457T43.1Very low39.8Very low132 Ų132118 Ų11881%0.8179%0.787SS**  64.1126.774.262.90000113.5
458D37.3Very low39.6Very low142 Ų142119.1 Ų119.176%0.75979%0.786SS**  cis-169.5180-3.4-137.8-57.2000112.2
459R37.1Very low39.6Very low221 Ų221120.4 Ų120.483%0.83478%0.783SS**  trans75.3128.1146.4-103.7178.9173.2134.4-1.9124.9
460S37.4Very low40.1Very low107 Ų107119.6 Ų119.675%0.74877%0.768SS**  trans75.5109.6134.453.30000124.3
461V39.1Very low40.1Very low138 Ų138124 Ų12484%0.83677%0.77SS**  trans-66.5178.6140.6-107.70000112.1
462P45.2Very low40.1Very low99 Ų99125.7 Ų125.764%0.64376%0.758SS**  cis-139.9-172.52.537.1-15.3000117.4
463H34.5Very low40.5Very low168 Ų168125.6 Ų125.678%0.77875%0.751SS**  trans90.5129.9134.9-82.8-15.7000125.2
464T33.3Very low40.6Very low109 Ų109127.1 Ų127.167%0.66975%0.746SS**  trans79.5123134.9530000124.8
465N35.1Very low40.9Very low158 Ų158130.6 Ų130.685%0.84575%0.747SS**  trans75.7122.3130.4-64-2.4000123.4
466G38.5Very low41Very low70 Ų70129.1 Ų129.172%0.72274%0.737SS**  trans120.8156.8139.100000116.7
467L42.6Very low41.1Very low155 Ų155129.9 Ų129.981%0.81275%0.745SS**  cis-168.6149.2-12.5-107.9179.2000108.9
468L42.9Very low41.1Very low150 Ų150128.5 Ų128.579%0.78575%0.747SS**  trans66.1161.1154.2-64.7166.3000118.2
469S37.7Very low41.3Very low99 Ų99127.5 Ų127.569%0.69275%0.748SS**  cis171.5-172.2-29.4-123.40000107.6
470P51Low41.4Very low94 Ų94122.1 Ų122.161%0.6175%0.745SS**  cis-138.3178.9-24.437.7-19000116.2
471Q38.7Very low41.7Very low164 Ų164122.3 Ų122.377%0.76674%0.743SS**  trans64.1153.1149.7-79.2170-80.200120.7
472Q41.3Very low41.7Very low150 Ų150123.2 Ų123.270%0.70174%0.739SS**  cis-150.8-178.74.7-136.7173.9-87.400108.9
473A49.3Very low41.1Very low71 Ų71128.3 Ų128.359%0.58775%0.745SS**  cis-157.6167.1400000113.6
474E46.8Very low41.3Very low171 Ų171130.6 Ų130.680%0.79975%0.747SS**  trans18.9148.4139.6-66168.4133.400123.4
475D41.9Very low41.4Very low145 Ų145133.1 Ų133.178%0.77575%0.749SS**  cis-161-155.4-22.3-153.120000111.1
476P48.2Very low41.8Very low111 Ų111131.7 Ų131.772%0.72175%0.746SS**  -129.3-176.2-125.343.2-22.7000117.6
477G41.3Very low41.8Very low74 Ų74134.1 Ų134.176%0.76375%0.747SS**  trans175.873.2169.500000122
478A43.8Very low41.6Very low103 Ų103133 Ų13385%0.85175%0.749SS**  trans66.9156.7152.400000121.9
479P42.6Very low41.4Very low120 Ų120130.4 Ų130.478%0.77975%0.749SS**  trans-142.7-178.6-151.542.9-22.9000120.1
480S38.9Very low41.2Very low109 Ų109133.4 Ų133.476%0.76276%0.757SS**  trans85.6164154.587.60000118.7
481P43.1Very low40.5Very low110 Ų110137 Ų13771%0.71477%0.771SS**  cis-133.6163.5-0.826.1-2.6000118.1
482Q39.7Very low40.1Very low158 Ų158138.7 Ų138.774%0.73877%0.77SS**  trans64.4105.2146.8-68.8-76.2-26.200121.3
483R32.2Very low40Very low205 Ų205139.6 Ų139.677%0.77478%0.779SS**  trans-129.2128.3150.7175.1-176.1172.8-157.8-1.5108.5F485R483-F485 PolarHBondContact O-N 2.9Å
484W38.4Very low39.3Very low216 Ų216141.9 Ų141.982%0.81878%0.782SS**  trans-71127.1-178.9-70.389.3000112.7
485F34.4Very low38.6Very low163 Ų163144.1 Ų144.172%0.71579%0.789SS**  trans-128.8142.5156.8-92-82.9000107.5R483R483-F485 PolarHBondContact O-N 2.9Å
486V43.7Very low38.4Very low128 Ų128141.8 Ų141.878%0.77679%0.79SS**  trans-125.2117.5169.5178.40000107.4
487T39.1Very low37.6Very low121 Ų121141.6 Ų141.674%0.74280%0.798SS**  trans-84.1146.7172.435.40000110.5
488P37.7Very low37.4Very low131 Ų131142.8 Ų142.885%0.85179%0.794SS**  trans-74.5133.5172.531.2-33000110.2
489A39.9Very low36.9Very low96 Ų96141.7 Ų141.779%0.79379%0.786SS**  trans-128.9147.2170.600000109.7
490N32.5Very low36.6Very low162 Ų162145.7 Ų145.787%0.86679%0.786SS**  trans-44.9135.1-172.9-68.2-36.8000114.4
491N36.7Very low36.5Very low168 Ų168147.1 Ų147.190%0.89879%0.785SS**  trans-141.3127.1135.8-114.7-21.9000110.5
492R30.4Very low36Very low200 Ų200147.8 Ų147.876%0.75579%0.788SS**  trans-107.9123.5-176.5167.9-170.6176.3174.32.1107.6D494R492-D494 IonicContact NE-OD1 3.51Å; R492-D494 IonicContact NH2-OD1 3.79Å
493L38.7Very low35.7Very low170 Ų170144.5 Ų144.589%0.8979%0.787SS**  trans-142.6128.9168.6-96.9165.8000108.9
494D35.2Very low35.9Very low119 Ų119141 Ų14164%0.63679%0.789SS**  trans-90.9149.4-162.2-49.7-101000112.5R492R492-D494 IonicContact NE-OD1 3.51Å; R492-D494 IonicContact NH2-OD1 3.79Å
495F31.5Very low35.9Very low218 Ų218137.5 Ų137.596%0.95679%0.786SS**  trans-87110.2-179.8-129.1-87.8000110.3
496A38.5Very low35.9Very low95 Ų95139.1 Ų139.179%0.78579%0.793SS**  trans-92.9128.3171.600000110.4
497A31.5Very low35.5Very low108 Ų108137.6 Ų137.689%0.89379%0.794SS**  trans-87.7142.9178.900000112.1
498S36.2Very low35.2Very low98 Ų98134.9 Ų134.969%0.68579%0.79SS**  trans-134135.5152.2-171.80000108.6
499A33.9Very low35.2Very low81 Ų81136.8 Ų136.867%0.66979%0.793SS**  trans-93.7-160.8168.900000110
500Y35.6Very low34.9Very low203 Ų203137.6 Ų137.680%0.79680%0.8SS**  trans64139.6179.879.4-101.2000115.6
501D36.9Very low35.1Very low139 Ų139134 Ų13474%0.74379%0.793SS**  cis-140.5-166.4-5.8-144.4-45.4000111.4
502T34Very low35.3Very low125 Ų125133 Ų13377%0.76779%0.793SS**  trans-99.3172-148.142.30000117.3
503A32.2Very low35.6Very low88 Ų88130.8 Ų130.873%0.72780%0.796SS**  trans75.8102.4158.100000119.4
504T37.4Very low35.5Very low131 Ų131131 Ų13180%0.80480%0.797SS**  -165.6126.4100.931.80000112.2
505D38Very low35.5Very low143 Ų143130 Ų13077%0.76580%0.799SS**  trans42.3111.5144.2-56-52.9000124.1
506F34.6Very low35.8Very low197 Ų197130.1 Ų130.186%0.86480%0.795SS**  66.376.4128.8-103.8-93.9000121.7
507A34.2Very low35.9Very low96 Ų96130.2 Ų130.279%0.79380%0.796SS**  54.4113.2118.100000120.8
508G32.7Very low36.4Very low64 Ų64130 Ų13066%0.6679%0.794SS**  trans174.4123.815400000116.9
509N38.4Very low36.8Very low171 Ų171130.3 Ų130.391%0.91480%0.802SS**  trans76.749.8154.2-44.6-52.3000119.5
510A33.3Very low36.8Very low113 Ų113130 Ų13093%0.93481%0.807SS**  trans-102.246160.400000112.4
511A36.7Very low37.2Very low88 Ų88127.7 Ų127.773%0.72781%0.814SS**  trans-154.898.5178.200000112.2
512T40.4Very low37.4Very low146 Ų146131.2 Ų131.290%0.89682%0.822SS**  trans-127.758.7166.350.70000111.1
513L38.3Very low37.3Very low154 Ų154129.9 Ų129.981%0.80682%0.824SS**SBendtrans-133131.2162.4-70.9175.7000108.2
514L35.4Very low37.7Very low173 Ų173133.8 Ų133.891%0.90683%0.832SS**  trans53.492.1164.9-55.8175.2000117.2
515S35.6Very low37.6Very low99 Ų99133.3 Ų133.369%0.69283%0.831SS**  trans-168.4133.9170.8-79.10000109.4
516Y38.2Very low37.8Very low221 Ų221134.8 Ų134.887%0.86784%0.838SS**  cis-147.7159.1-11.9-105.5-72.8000108.6
517A40.5Very low37.9Very low97 Ų97134.6 Ų134.680%0.80284%0.84SS**PPolyproline II helixtrans-68.5149.9168.200000111.4
518A42.8Very low38Very low104 Ų104134.9 Ų134.986%0.8684%0.842SS**PPolyproline II helixtrans-72.3154.7-173.700000113.7
519A43.6Very low38.4Very low103 Ų103136.7 Ų136.785%0.85185%0.851SS**PPolyproline II helixtrans-83.9148.3-17900000113.6
520G34.5Very low38.3Very low75 Ų75132.1 Ų132.177%0.77384%0.844SS**  trans79.878.3136.400000119
521V42.6Very low38.3Very low154 Ų154133 Ų13393%0.93384%0.842SS**  trans-135.7156.3146.5-109.60000110.2
522K41.6Very low38.3Very low213 Ų213136 Ų13693%0.92685%0.852SS**  trans-74.5151.1-163.1-67.1177.9179.5176.10113.2
523A32.4Very low38.3Very low98 Ų98132.6 Ų132.681%0.8185%0.845SS**  trans-79.2150.6-172.600000114.6
524L41.3Very low38.4Very low170 Ų170136.9 Ų136.989%0.8985%0.851SS**  trans-136.3127.7155.8-91.5169.4000107.9
525P34Very low38.8Very low121 Ų121134.8 Ų134.879%0.78685%0.847SS**  trans-91.6119-178.133.3-30.9000111.8
526L42.5Very low39.1Very low173 Ų173136.9 Ų136.991%0.90685%0.85SS**  trans-131.1157.9164.1-84.5173.3000110.8
527Q36.3Very low39.6Very low193 Ų193129.9 Ų129.990%0.90285%0.846SS**  trans-77.5135.7-154.4-65.6165.7-32.300113.6
528A36.3Very low39.5Very low103 Ų103134.7 Ų134.785%0.85184%0.844SS**  trans-92.1114.5168.500000110.5
529A41.9Very low39.6Very low101 Ų101141 Ų14184%0.83585%0.847SS**  trans-77.3145.3160.100000109.5
530G35.1Very low39.6Very low75 Ų75140.9 Ų140.977%0.77385%0.847SS**  trans-83.2143.1-160.300000116.2
531C33.9Very low39.8Very low131 Ų131144.5 Ų144.589%0.88585%0.848SS**  trans-133.1108.5159.8-70.10000108.3
532T37.2Very low40.5Very low152 Ų152142.5 Ų142.593%0.93384%0.838SS**  trans-94.5110.1-179.951.20000111.3
533G39.5Very low40.7Very low74 Ų74137.5 Ų137.576%0.76383%0.83SS**  trans-135126.8171.300000110.5
534R42.2Very low41.1Very low245 Ų245136.2 Ų136.293%0.92583%0.826SS**  trans-94.1144.2-178.2-67-177.6174.9-154.5-0.7111.1
535P42.9Very low41.1Very low128 Ų128140.3 Ų140.383%0.83183%0.83SS**  trans-68.4139.4165.430.4-33.7000110.3
536L42.8Very low41.3Very low143 Ų143138.1 Ų138.175%0.74983%0.829SS**  trans-93.5100.5-177.8-171.966.4000110.4Y538L536-Y538 HydrophobicContact CD2-CD2 4.37Å; L536-Y538 HydrophobicContact CD2-CE2 3.62Å; L536-Y538 HydrophobicContact CG-CD2 4.25Å; L536-Y538 HydrophobicContact CG-CE2 3.91Å
537G48.6Very low40.9Very low75 Ų75134.9 Ų134.977%0.77383%0.828SS**  trans-92.3115.917600000112.1
538Y37Very low41Very low197 Ų197137.5 Ų137.577%0.77383%0.829SS**  trans-96.6104.7168.8-81.6-85.9000110.7L536L536-Y538 HydrophobicContact CD2-CD2 4.37Å; L536-Y538 HydrophobicContact CD2-CE2 3.62Å; L536-Y538 HydrophobicContact CG-CD2 4.25Å; L536-Y538 HydrophobicContact CG-CE2 3.91Å
539Y45.3Very low41.3Very low237 Ų237138 Ų13893%0.92983%0.827SS**  trans-163.2146.7132.2-112.3-76.3000108.5
540A43.5Very low41.9Very low101 Ų101139 Ų13984%0.83583%0.825SS**  trans-89.2148.3-168.400000113.5
541D38.5Very low42.2Very low151 Ų151141.4 Ų141.481%0.80783%0.827SS**  trans-120.7121.8-178.3-177.529.7000110.8S543D541-S543 PolarHBondContact O-N 3.38Å; D541-S543 VanDerWaalsContact O-N 3.12Å
542P57Low42.4Very low111 Ų111144.3 Ų144.372%0.72183%0.827SS**  trans-86.776.7-173.334.7-35.8000114
543S46.6Very low42.5Very low109 Ų109148.3 Ų148.376%0.76283%0.827SS**  trans35.6112.7143.263.50000120.8D541D541-S543 PolarHBondContact O-N 3.38Å; D541-S543 VanDerWaalsContact O-N 3.12Å
544G40.8Very low42.1Very low70 Ų70150.3 Ų150.372%0.72283%0.828SS**  trans100.9147.2162.800000113.8
545W40.8Very low41.8Very low256 Ų256141.9 Ų141.997%0.9782%0.817SS**  cis-140.3156.524.7-85.463.9000114
546G38.1Very low41.6Very low75 Ų75141.1 Ų141.177%0.77381%0.811SS**  trans60.396.5136.300000119.9
547A35Very low41.4Very low105 Ų105143.1 Ų143.187%0.86881%0.813SS**  trans-73.7139.1171.200000113.9
548R38.5Very low41Very low248 Ų248145.8 Ų145.894%0.93682%0.82SS**  trans-146.9134.3150.6-86.8-175.3-173.6-102.1-2109.8
549S42Very low41.1Very low115 Ų115139.3 Ų139.380%0.80481%0.813SS**PPolyproline II helixtrans-101.1141.6178.444.90000112.3
550P53.7Low41Very low121 Ų121133.9 Ų133.979%0.78681%0.81SS**PPolyproline II helixtrans-84.1151158.8-9.227.7000111.4
551P43.4Very low40.9Very low126 Ų126135.5 Ų135.582%0.81881%0.809SS**PPolyproline II helixtrans-89.5163.6-177.836-36.1000113.9
552Q36.4Very low41.3Very low191 Ų191135.8 Ų135.889%0.89381%0.81SS**PPolyproline II helixtrans-83.3142.3163.2-68.2-178.1-17.500111.1
553Y39.5Very low40.5Very low237 Ų237135 Ų13593%0.92981%0.805SS**  trans-150.3158.5154.2-145.7-98.6000111.3
554C31Very low39.7Very low115 Ų115136 Ų13678%0.77781%0.81SS**  trans-105146.4-175.1-1690000111.4
555G36.7Very low39.4Very low69 Ų69143.9 Ų143.971%0.71182%0.818SS**  trans-176.963.3-174.600000118.8
556T37.5Very low39.4Very low112 Ų112137.1 Ų137.169%0.68781%0.807SS**  trans15.3135.3146.348.60000123.6
557K39.1Very low39.2Very low185 Ų185141.3 Ų141.380%0.80481%0.812SS**  trans101.6132.2139.6-69.6148.5-176.4177.10121
558S40.5Very low39.1Very low130 Ų130142.2 Ų142.291%0.90981%0.812SS**  trans67140.7155.2-55.70000119.1
559G40Very low38.9Very low61 Ų61134.6 Ų134.663%0.62980%0.802SS**  cis166.4170.5-7.900000113.4
560S42.4Very low38.6Very low124 Ų124133.9 Ų133.987%0.86780%0.803SS**  trans72.8147.3175.688.50000116.2
561V41.2Very low37.7Very low135 Ų135132.5 Ų132.582%0.81880%0.802SS**  cis-132.2154.9-3.4-1760000110.8
562L47Very low37.2Very low156 Ų156131.2 Ų131.282%0.81780%0.802SS**  trans-68.7-174.3176.8-62.6169.5000115
563P39.7Very low37.1Very low96 Ų96126.5 Ų126.562%0.62380%0.796SS**  cis-132.3167.4-11.918.85.6000116.4
564C30.9Very low36.8Very low128 Ų128125.9 Ų125.987%0.86579%0.792SS**  trans-99153.5151-56.60000110.2
565W34.4Very low37.2Very low236 Ų236128.7 Ų128.789%0.89480%0.796SS**  trans-134.1152.7165.1-81.574.8000111.2
566P40Very low37.2Very low114 Ų114130.1 Ų130.174%0.7480%0.8SS**  trans-131.6-171.2-147.140.2-21.3000116.4
567N35.1Very low37.2Very low163 Ų163128.6 Ų128.687%0.87281%0.807SS**  trans-13.3143.6173.2-78.13.7000120.8
568S31.7Very low37.2Very low124 Ų124124.9 Ų124.987%0.86781%0.811SS**  trans-71132.8164.1177.40000113.4
569A35.2Very low37Very low89 Ų89126 Ų12674%0.73681%0.806SS**  trans-165149.6147.300000112.7
570A34.8Very low37.2Very low100 Ų100127.2 Ų127.283%0.82680%0.803SS**  trans73.7127152.100000122.8
571A34.3Very low37.1Very low92 Ų92130.6 Ų130.676%0.7680%0.798SS**  trans78.791.7133.300000122.7
572A33.6Very low36.9Very low99 Ų99131.1 Ų131.182%0.81880%0.796SS**  76.3135.2112.900000123.3
573A34.4Very low36.6Very low92 Ų92126.4 Ų126.476%0.7679%0.785SS**  trans70.4151.5154.100000118.2
574R33.3Very low36.6Very low224 Ų224130 Ų13085%0.84579%0.794SS**  cis-165.5167.4-17.1-110.8178.9-177.9174.80.3107.6
575M38.5Very low37Very low174 Ų174132.5 Ų132.586%0.85779%0.792SS**  trans71.7152.4169.9-50.1-45.9-155.400116.6
576A36.7Very low37.3Very low98 Ų98125.3 Ų125.381%0.8178%0.784SS**  cis-167.3157-25.200000111.2
577G37.4Very low37.2Very low80 Ų80129.5 Ų129.583%0.82579%0.793SS**  trans93.3144.5168.500000115.4
578A40.6Very low37.4Very low107 Ų107124.9 Ų124.988%0.88478%0.784SS**  cis-154165.6-8.500000112.1
579N34.9Very low37.7Very low153 Ų153127.6 Ų127.682%0.81879%0.788SS**  trans-83.7-172.5-176.3-128.520000112.6
580P45.9Very low37.8Very low87 Ų87127.5 Ų127.557%0.56579%0.787SS**  cis-119-168.9437.5-17000113.3
581Y38.4Very low38.1Very low195 Ų195127.4 Ų127.477%0.76579%0.786SS**  cis-134.4169.116.3-80.2-67.2000110.1
582L39.1Very low38.7Very low147 Ų147129.8 Ų129.877%0.7778%0.781SS**  cis76.6120.739.4-146.8167000113.7
583G39.3Very low39Very low57 Ų57134.8 Ų134.859%0.58878%0.779SS**  cis163.2161.4-6.200000113.2
584E40Very low40Very low172 Ų172135.8 Ų135.880%0.80478%0.781SS**  trans63.2165.3160.3-70.1160.4101.900119.8
585E39.2Very low40.8Very low179 Ų179130.6 Ų130.684%0.83678%0.776SS**  cis-165.6-169.6-49.8-129176.7-147.500111
586A40.6Very low41.3Very low86 Ų86130 Ų13071%0.71178%0.775SS**  trans71.9137.5176.600000117
587E38.9Very low42.3Very low202 Ų202130.6 Ų130.694%0.94477%0.771SS**  67.1133.951-63-157.4145.500114.6
588G37.9Very low43Very low65 Ų65132.7 Ų132.767%0.6777%0.77SS**  cis179.7-162.9-0.600000111.8
589L39.6Very low43.1Very low181 Ų181131 Ų13195%0.94876%0.763SS**  trans73.1158.1174.9-48.9172.9000117.1
590A37Very low43.5Very low87 Ų87128.9 Ų128.972%0.71977%0.767SS**  cis-171.3173.8-30.800000110.9
591A41.4Very low43.5Very low98 Ų98129.7 Ų129.781%0.8178%0.781SS**  trans76.7149.5170.400000117.9
592E45.1Very low43.6Very low142 Ų142129.4 Ų129.466%0.66479%0.786SS**  cis-156.3158.90.7-136-160.9120.100114
593R40.3Very low44.2Very low204 Ų204130.1 Ų130.177%0.7779%0.791SS**  trans44.5124.7162.5-71.6171.1167.3133.1-8.3120.3
594S56.4Low44.5Very low113 Ų113131.8 Ų131.879%0.7980%0.799SS**  cis76.315447.9-54.80000115.8
595P48.7Very low44.6Very low116 Ų116133.1 Ų133.175%0.75380%0.803SS**  cis-123.3163.9-18.322.12.4000113.6
596L50.2Low45.1Very low160 Ų160129.9 Ų129.984%0.83880%0.797SS**  79.2162.556.4-62.4177000116
597P57.8Low45.3Very low111 Ų111134 Ų13472%0.72180%0.799SS**  -135.5-127.8-81.341.6-19.2000111.9
598P51.2Low45.4Very low125 Ų125130.2 Ų130.281%0.81279%0.785SS**  cis-133.3-175-42.140.5-23.3000115.9
599G43.7Very low45.7Very low70 Ų70135 Ų13572%0.72280%0.795SS**  trans147.8113.2156.900000114.4
600A43.2Very low45.8Very low109 Ų109131.1 Ų131.190%0.90178%0.782SS**  80.3131.269.600000113.9
601A46.2Very low46Very low104 Ų104133.4 Ų133.486%0.8678%0.783SS**  cis-152.2-164.80.700000113
602E40.4Very low46.1Very low190 Ų190134 Ų13489%0.88878%0.781SS**  trans-88.4164.8-162.6-54.8165.596.400116.9
603D51.7Low45.8Very low161 Ų161131.3 Ų131.386%0.86178%0.778SS**  -166.3155.5125.2-135.6-32.1000116.3
604A44.8Very low46.1Very low93 Ų93133 Ų13377%0.76978%0.784SS**  trans62150.9157.600000124.3
605K42.6Very low45.7Very low200 Ų200133.8 Ų133.887%0.8778%0.778SS**  trans-148.4-174.3-170.7-113-172.9179.5174.70109
606P50.3Low45.3Very low110 Ų110137 Ų13771%0.71478%0.783SS**  cis-133.5-168.7-40.339.2-21.8000112.3
607K44.8Very low45Very low173 Ų173135.3 Ų135.375%0.75278%0.78SS**  154.2126.9112.6-166.6165.8-174176.80115.1
608D39.3Very low44.3Very low122 Ų122135.8 Ų135.865%0.65278%0.783SS**  trans35.6147.1153.4-43-17.3000120.9
609L46.3Very low43.5Very low167 Ų167135.5 Ų135.587%0.87478%0.784SS**  cis-142.9170.132.7-75.8160.1000113.3
610S40.9Very low43.5Very low99 Ų99137.1 Ų137.169%0.69278%0.784SS**  trans-82.6-178.3169.565.80000112
611D41.4Very low43.7Very low135 Ų135139.3 Ų139.372%0.72278%0.779SS**  cis-155.1174.321.3-126.5-77.8000107.8
612S43.3Very low43.5Very low111 Ų111143.6 Ų143.678%0.77678%0.778SS**  cis-155.3-158.19.8-1540000111.9
613S38.1Very low43.5Very low85 Ų85140 Ų14059%0.59477%0.774SS**  trans-132.3150.6-174.9178.30000114.7
614W47.3Very low43.5Very low239 Ų239140.4 Ų140.491%0.90577%0.774SS**  trans-143.673.4157-87.4111.5000113
615I47.3Very low43.3Very low129 Ų129142.2 Ų142.266%0.66277%0.771SS**  trans43.9118.4137.1-57.3176.5000119.1
616E41.3Very low43.1Very low183 Ų183137.1 Ų137.186%0.85576%0.761SS**  trans-85.8155.2164.4-179.6176.9-172.900111.9
617T44.2Very low42.6Very low126 Ų126137.7 Ų137.777%0.77377%0.767SS**  trans-125.6126.2177.3-47.20000110.8
618P41.2Very low42.6Very low120 Ų120136.6 Ų136.678%0.77977%0.77SS**  trans-85.8161.5-166.733.5-37.1000115.1
619S35.7Very low42.6Very low120 Ų120136.8 Ų136.884%0.83978%0.781SS**  trans-89.1143.3170.8-57.10000112
620S42.7Very low42.3Very low103 Ų103131.5 Ų131.572%0.7277%0.766SS**  trans167.4115.2138.6-178.10000113.7
621I47.1Very low42.4Very low155 Ų155134.8 Ų134.880%0.79577%0.774SS**  trans-177.5107.1139.4-101.7164.5000105.3
622K41.9Very low42.1Very low195 Ų195137.8 Ų137.885%0.84878%0.777SS**  77.1137.381.8-76.2-172.4176.1-175.40113.1
623S40.8Very low41.9Very low115 Ų115140.6 Ų140.680%0.80478%0.778SS**  trans-88.9160.7-16243.40000114.6
624I52.5Low42Very low169 Ų169144.3 Ų144.387%0.86779%0.786SS**  trans-123.6148.5146.4-169.560.9000107.3
625D39.6Very low41.6Very low130 Ų130138.2 Ų138.270%0.69579%0.786SS**  trans-133159.8-168.1-162.9-26.9000109.9
626S39.9Very low41.2Very low93 Ų93141.7 Ų141.765%0.6580%0.796SS**  trans79.1152.6153.3-65.70000120.3
627S39.7Very low41.2Very low122 Ų122144.9 Ų144.985%0.85380%0.801SS**  trans73.289159.2-54.80000118.8
628D43.8Very low40.8Very low151 Ų151150 Ų15081%0.80781%0.806SS**  -140.3137.6118.6-159.5-4.4000110.4
629S40.3Very low40.6Very low126 Ų126155.4 Ų155.488%0.88181%0.811SS**  trans-172.8102.2-178.4-81.20000112
630G39.6Very low40.8Very low55 Ų55157.3 Ų157.357%0.56781%0.81SS**  trans121.6163.8169.300000113.6
631I42.7Very low40.9Very low169 Ų169156.8 Ų156.887%0.86781%0.806SS**  trans70.1124.5-174.6-48.8162.5000110.5
632Y35.1Very low40.6Very low198 Ų198154.4 Ų154.478%0.77680%0.801SS**  cis-131.713429.5-163.8-93.3000112.7
633E40Very low40.1Very low169 Ų169150 Ų15079%0.7980%0.801SS**  trans-95.8165.5172.1-164.9-176.4-171.500110.4
634Q38.3Very low40.1Very low164 Ų164151 Ų15177%0.76680%0.797SS**  trans96.794.3173.4-51.9178.419.800117.8
635A39.5Very low39.5Very low111 Ų111149.2 Ų149.292%0.91780%0.795SS**  trans-149.555149.800000111.1R637A635-R637 PolarHBondContact O-N 3.12Å
636K39.5Very low39.9Very low201 Ų201149.1 Ų149.187%0.87480%0.801SS**  trans-81104.4-166.9180-178.9-176.9172.40113.2
637R40.4Very low39.7Very low250 Ų250150.9 Ų150.994%0.94381%0.807SS**  trans-144.3123.2156.6-119.4175.4-170.1-128.3-1.2114.9A635A635-R637 PolarHBondContact O-N 3.12Å
638R35.9Very low39.7Very low233 Ų233149.4 Ų149.488%0.87980%0.797SS**  trans-68.9147.5178.4-64.9166.1163.9168.5-9.3112
639R38.5Very low39.5Very low234 Ų234150.3 Ų150.388%0.88380%0.797SS**  -140.996.9128.5-176.8172.8-86.6-172.2-6109.8
640I39.9Very low39.3Very low161 Ų161149 Ų14983%0.82679%0.787SS**  trans-106.5128.2161.3-58.8170.9000105.1
641S43.9Very low39.4Very low91 Ų91152.1 Ų152.164%0.63680%0.801SS**  trans-156.2148.6-175.7-61.80000107.8
642P40.8Very low39.2Very low105 Ų105149.6 Ų149.668%0.68280%0.798SS**  -106.3174.1-115.3-1.421.7000115.1
643A32.3Very low39.9Very low104 Ų104145.1 Ų145.186%0.8679%0.793SS**  trans-95.4115.7157.300000108.3
644D40.8Very low40Very low135 Ų135144.5 Ų144.572%0.72279%0.794SS**  trans-125.3122.6176.8-77.6-61.5000110.1
645T38Very low40.4Very low132 Ų132145.3 Ų145.381%0.8180%0.795SS**  trans-115.5125.7171.448.60000110
646P49.4Very low40.5Very low127 Ų127143.8 Ų143.883%0.82578%0.778SS**  trans-93.8165.215833.1-27000111.8
647V35.9Very low40.8Very low130 Ų130142.1 Ų142.179%0.78877%0.773SS**  trans-122.2177.9-165.7-177.40000110.3
648S39.3Very low41Very low91 Ų91136 Ų13664%0.63676%0.763SS**  trans78.1148.4171.1-640000113.6
649E38.4Very low41.3Very low171 Ų171132.6 Ų132.680%0.79976%0.761SS**  cis172.4172.5-0.4-102.4162.1-141.400103
650S37.4Very low41.4Very low98 Ų98125.5 Ų125.569%0.68575%0.753SS**  cis-164.4156.7-31.760.30000107.7
651S41.6Very low41.3Very low121 Ų121125.4 Ų125.485%0.84675%0.749SS**  trans165.6155.314943.50000111.9
652S39.1Very low41.1Very low115 Ų115130.8 Ų130.880%0.80476%0.755SS**  trans-123.1-133.9-173.4-440000109.6
653P49.7Very low41.2Very low105 Ų105132.4 Ų132.468%0.68276%0.758SS**  cis-144.1-173.80.736.3-11.4000117.5
654L42.4Very low41.3Very low156 Ų156132.1 Ų132.182%0.81775%0.749SS**  trans75144162.9-46.8-179.3000117.7
655K45.9Very low41.3Very low181 Ų181132.5 Ų132.579%0.78775%0.746SS**  cis-125.5144.65.9-83-169.3175.1-1740110
656S41.1Very low41.3Very low78 Ų78134.1 Ų134.155%0.54574%0.742SS.*  69.4131.659.393.80000112.2
657E45.8Very low40.8Very low167 Ų167134.9 Ų134.978%0.7874%0.739SS**  cis-156.8172.212.5-91.3125.3129.700109.8
658V44.3Very low40.8Very low120 Ų120134 Ų13473%0.72774%0.738SS**  cis-175.5162.4-27.871.50000110.1
659L42.7Very low40.8Very low162 Ų162133.6 Ų133.685%0.84874%0.74SS**  trans68.9152171.9-63.3168.8000117.6
660A39.9Very low40.8Very low85 Ų85134.5 Ų134.570%0.70274%0.741SS**  cis-177172-12.100000108.4
661Q38.3Very low40.9Very low160 Ų160136.7 Ų136.775%0.74875%0.745SS**  cis-175.5162.7-29.3-174.8-178.81500107.9
662R41Very low40.9Very low204 Ų204138 Ų13877%0.7774%0.741SS**  trans76.6154.8174.4-62.1-169168.7106.91116.2
663D42Very low41Very low138 Ų138138 Ų13874%0.73874%0.742SS**  cis-173.6168.8-15.8-91.4-16.8000106
664C35.6Very low40.8Very low99 Ų99136.2 Ų136.267%0.66974%0.742SS**  cis-172.8105.7-14.6168.70000106.8
665E39.2Very low40.7Very low143 Ų143138.1 Ų138.167%0.66874%0.739SS**  95.1147.199.5-149.6-149.7143.100116.4
666K38.6Very low40.6Very low165 Ų165139.6 Ų139.672%0.71774%0.741SS**  trans73.2164.2165.3-57.3170.7172.7910120.6
667N38.5Very low40.8Very low143 Ų143138.5 Ų138.577%0.76574%0.743SS**  -169.5166.2-51.7-153.7-5.6000111.7
668C36.9Very low40.6Very low112 Ų112139.7 Ų139.776%0.75775%0.746SS**  trans68.1162160.6-69.20000120.2
669A38.4Very low40.8Very low83 Ų83144.4 Ų144.469%0.68675%0.752SS**  cis-171.2156.3-29.800000112.8
670K38.3Very low40.7Very low189 Ų189141.6 Ų141.682%0.82275%0.746SS**  trans32.8139.6150-67.2-177174.9-177.70123.8
671D39.6Very low41.1Very low144 Ų144146.4 Ų146.477%0.7775%0.753SS**  165.7160.2122.8-91.5-4.4000112
672I42.3Very low41.5Very low148 Ų148147.9 Ų147.976%0.75978%0.782SS**  cis-163.9168.6-31.5-138.7171.3000110.2
673S41.4Very low41.5Very low117 Ų117145.1 Ų145.182%0.81878%0.782SS**  trans72.3147.2174-155.80000116.7
674G44.4Very low41.5Very low66 Ų66145.5 Ų145.568%0.6879%0.785SS**  cis171178.50.200000108.9
675Y40.1Very low41.8Very low196 Ų196148.1 Ų148.177%0.76979%0.791SS**  cis-167.6164.5-11.3-147.5-88000109.6
676Y44.5Very low42Very low212 Ų212148.4 Ų148.483%0.83180%0.798SS**  trans66.5149.8178-64.5-76.9000118.6
677G44.7Very low42.2Very low56 Ų56147.3 Ų147.358%0.57780%0.803SS**  cis159122.9-16.200000116.5
678F41.4Very low42.5Very low191 Ų191147.6 Ų147.684%0.83881%0.806SS**  trans61.7145166.9-58.7-89.1000117.2
679Y49.1Very low42.9Very low220 Ų220150.1 Ų150.186%0.86381%0.809SS**  cis-140.2170.233.7-95.1-93.2000114.1
680S41.7Very low43.2Very low102 Ų102155.3 Ų155.371%0.71382%0.819SS**  trans-140.8138.7172.1520000111.6
681H48.1Very low43.6Very low186 Ų186152.5 Ų152.586%0.86182%0.819SS**  trans-163.8148.3159.1-100.6-67.2000110.9
682S46.1Very low44Very low192 Ų192153.3 Ų153.3100%1.34382%0.823SS**  trans49.80177.965.70000116.5

Retrieved 682 of 682 residues in 73.6 ms (Link to these results)