A0A096N9N5_PAPAN Loading...

H/ACA ribonucleoprotein complex non-core subunit NAF1

RNA-binding protein required for the maturation of box H/ACA snoRNPs complex and ribosome biogenesis. During assembly of the H/ACA snoRNPs complex, it associates with the complex and disappears during maturation of the complex and is replaced by NOLA1/GAR1 to yield mature H/ACA snoRNPs complex. Probably competes with NOLA1/GAR1 for binding with DKC1/NOLA4.

AlphaFold DB , UniProt , Accession A0A096N9N5, Species PAPAN (Papio anubis, Olive baboon), Gene NAF1, Length 497 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44.8Very low42.4Very low227 Ų227139.2 Ų139.2100%1.11879%0.794SS**  062.10-67.5170.4172.500107.7
2E45.1Very low42.5Very low178 Ų178142.6 Ų142.683%0.83280%0.798SS**  cis57128.745.7-76.9-173.5116.100112.9
3V41.9Very low42.4Very low111 Ų111140.5 Ų140.567%0.67379%0.792SS**  cis-148.5120.8-22.3-177.10000101.8
4V45.8Very low42.4Very low127 Ų127143.1 Ų143.177%0.7780%0.801SS**  44.6140.595.7170.30000113.1
5E44.6Very low42.5Very low164 Ų164146.3 Ų146.377%0.76680%0.803SS**  cis178.8152.8-18.9-175.6-173.9176.200105.3
6A42.2Very low42.2Very low91 Ų91148.1 Ų148.175%0.75280%0.801SS**  trans58.8179.2156.600000118.7
7A43.1Very low41.8Very low84 Ų84148.9 Ų148.969%0.69481%0.805SS**  cis-167.4161.7-49.300000109.9
8V36.8Very low41.5Very low138 Ų138143.9 Ų143.984%0.83679%0.794SS**  trans64.5112.7140.3168.20000121
9A40.8Very low41.3Very low80 Ų80144.3 Ų144.366%0.66180%0.801SS**  67.1128.3129.200000125
10Q42.3Very low41Very low172 Ų172143.9 Ų143.980%0.80480%0.797SS**  66.9141.8123.9-70.7-167.618.200123.8
11L39.3Very low40.9Very low159 Ų159147.1 Ų147.183%0.83280%0.804SS**  trans70.1149166-59.4162.7000114
12E43.1Very low40.5Very low180 Ų180139.1 Ų139.184%0.84178%0.779SS**  cis-151179.735.2-143.2-177.5168.900114.2
13T41.3Very low40.1Very low116 Ų116137.9 Ų137.971%0.71278%0.783SS**  trans-75.8157.5-175.455.70000116
14L42.4Very low39.7Very low177 Ų177135.6 Ų135.693%0.92778%0.783SS**  trans-149.3141.9147.8-112.4169.7000115
15K43.3Very low39.4Very low190 Ų190139.5 Ų139.583%0.82679%0.792SS**  trans-72.1145.1-164.4-96.3164.8168.5167.60117.5
16F38.3Very low38.8Very low176 Ų176135.1 Ų135.177%0.77279%0.791SS**  51.8117.1120.7-153.3-89.3000120.4
17N36.3Very low39.2Very low162 Ų162137.1 Ų137.187%0.86680%0.796SS**  -158.2141.8128.4-100.7-11000108.3
18G35.1Very low38.8Very low59 Ų59138.3 Ų138.361%0.60881%0.806SS**  trans-128.9157.5176.700000111.5
19T38.5Very low38.7Very low151 Ų151136 Ų13693%0.92680%0.802SS**  trans-149.4138.7154.110000110.6
20D35.2Very low38.5Very low136 Ų136139.2 Ų139.273%0.72781%0.813SS**  trans-71.9153177.4175.657.5000112.4
21F38.7Very low38.3Very low212 Ų212136.3 Ų136.393%0.9381%0.812SS**  trans-156.1106.1155.7-110.4-72000110.5
22G36.1Very low39Very low59 Ų59135 Ų13561%0.60881%0.813SS**  trans-93.5166.2-176.500000116.2
23V38Very low38.4Very low151 Ų151129.7 Ų129.792%0.91581%0.807SS**  trans-117.2140161173.90000105.3
24G32.4Very low38.2Very low64 Ų64130.4 Ų130.466%0.6682%0.817SS**  cis147.5119.9-3.100000109.6
25E39.9Very low38.1Very low209 Ų209126.5 Ų126.598%0.97781%0.81SS**  trans-178.4157.8163.9-114.2-168.710100111.9
26G31Very low38.4Very low71 Ų71123.5 Ų123.573%0.73281%0.81SS**  trans109.6128.2157.200000117.4
27P51.1Low38.4Very low134 Ų134119.4 Ų119.487%0.8781%0.808SS**  trans-117.1157.9-162.241.3-32.7000116.6
28A34.9Very low39.2Very low108 Ų108118 Ų11889%0.89381%0.808SS**  trans-161.4153.4150.600000111.8
29A35.1Very low38.9Very low91 Ų91118.3 Ų118.375%0.75281%0.811SS**  trans-96.9155.8-168.700000115.1
30T35.5Very low38.6Very low146 Ų146118 Ų11890%0.89681%0.809SS**  trans-168.5138.7130.4110000112.5
31S38.2Very low38.6Very low112 Ų112119.9 Ų119.978%0.78381%0.814SS**  trans-93.3-173171.4-45.20000109.8
32P55Low39.2Very low130 Ų130115.1 Ų115.184%0.84480%0.804SS**  cis-139.4-177.73.742.6-24000116.1
33G30.2Very low40.2Very low70 Ų70117.2 Ų117.272%0.72281%0.807SS**  trans165.887.6161.700000118.8
34S36.5Very low39.9Very low131 Ų131116.4 Ų116.492%0.91680%0.797SS**  trans56.5126.5151.5-60.90000123.1
35A41.7Very low39.9Very low94 Ų94121.2 Ų121.278%0.77780%0.802SS**  trans-85.1-17815600000110.2
36P49Very low39.5Very low128 Ų128115.8 Ų115.883%0.83179%0.787SS**  cis-138.4-17938.338.7-17000117
37A38Very low39.4Very low89 Ų89121.3 Ų121.374%0.73679%0.791SS**  trans-97.8-158.8173.200000110.8
38P53.3Low38.4Very low133 Ų133123.7 Ų123.786%0.86479%0.791SS**  cis-133.7-178.2-21.338.3-20.9000114.2
39G28Very low38.1Very low65 Ų65122 Ų12267%0.6779%0.785SS**  trans134.2139.5139.800000121.1
40T34Very low38Very low146 Ų146123.4 Ų123.490%0.89679%0.788SS**  trans87.2106.8134.9-45.70000120.7
41Q34.5Very low38.8Very low175 Ų175121.5 Ų121.582%0.81878%0.779SS**  trans-75.1171.8149.4-66.2-168.5-22.800110.1
42P51.1Low38.5Very low111 Ų111122.9 Ų122.972%0.72178%0.777SS**  cis-148.1-135.428.237.8-9.7000113.7
43P56.5Low37.5Very low104 Ų104122.5 Ų122.568%0.67577%0.773SS**  -131.8-172.4-74.532.9-11.8000117
44L32.5Very low37.5Very low133 Ų133122 Ų12270%0.69677%0.767SS**  trans89.6129.6150.1-61.4-178.2000122.9
45Q32.1Very low37.4Very low165 Ų165124.6 Ų124.677%0.77177%0.765SS**  trans58.3154.5131.4-65.6172.8-1100119.3
46S30.6Very low36.7Very low96 Ų96125 Ų12567%0.67176%0.758SS**  cis-167.3168.46.8210000110.3
47F30.8Very low36Very low186 Ų186124.9 Ų124.982%0.81675%0.754SS**  trans13.3151.6146-58.9-80.4000120.6
48E29.8Very low35.5Very low184 Ų184128.9 Ų128.986%0.8676%0.758SS**  cis-170176.120.3-139.2160.6101.300110
49G26.8Very low34.4Very low74 Ų74128 Ų12876%0.76375%0.75SS**  trans114.597.3149.100000119.9
50S33.3Very low34.6Very low119 Ų119135 Ų13583%0.83276%0.762SS**  trans-87-167.8147.7-51.40000108.6
51P52.2Low34.2Very low107 Ų107133.8 Ų133.870%0.69575%0.754SS**  cis-148.8-161.715.143-19.4000117
52D33.1Very low34Very low141 Ų141130.4 Ų130.475%0.75476%0.756SS**  trans68.8151.1149.3-86.512.7000120.1
53T33.1Very low32.9Very low122 Ų122128.6 Ų128.675%0.74876%0.758SS**  cis-154.3162.6-8.66.80000105.8
54G30.7Very low31.6Very low58 Ų58133 Ų13360%0.59877%0.77SS**  cis160.9160.65.600000109.2
55Q33.8Very low31.5Very low187 Ų187135.7 Ų135.787%0.87478%0.779SS**  trans61.5145.1134.3-73.5-167.343.600120.9
56T28.5Very low31.7Very low102 Ų102133.3 Ų133.363%0.62678%0.777SS**  cis-161.2152.6-2.4-76.90000105.3
57V33.1Very low31.7Very low125 Ų125136.7 Ų136.776%0.75879%0.787SS**  -177.3172.381.9-131.50000106.5
58E28.2Very low31.6Very low173 Ų173136.3 Ų136.381%0.80879%0.788SS**  cis-143.1-134.92.9-158.5179.28500110.5
59V30.7Very low31.7Very low114 Ų114131.7 Ų131.769%0.69178%0.781SS**  trans-145.4138.3-167.51720000112.2
60K30.4Very low31.8Very low212 Ų212133.7 Ų133.792%0.92278%0.779SS**  trans-155163.7139.6-125.4173.1-176.6175.40112.6
61T27.5Very low31.7Very low121 Ų121134.9 Ų134.974%0.74278%0.775SS**  trans-125.1151.5-139.7-470000114.3
62A29.2Very low30.6Very low104 Ų104137 Ų13786%0.8678%0.78SS**  trans66.3145.3167.100000116.8
63G27.4Very low30.6Very low74 Ų74134.8 Ų134.876%0.76378%0.782SS**  cis177.1161.7-1.700000107.1
64E30.8Very low30.4Very low197 Ų197136 Ų13692%0.92179%0.789SS**  cis-140.8156.310.2-73.5166.766.400110.5
65Q30.4Very low30.4Very low188 Ų188137.3 Ų137.388%0.87979%0.794SS**  trans-111.5152.1159.5-91-164-13.200109.5
66P34.6Very low30.3Very low115 Ų115133.6 Ų133.675%0.74780%0.795SS**  trans-89.6128.6178.434-31.3000112.1
67L30.6Very low30.3Very low167 Ų167132.2 Ų132.287%0.87480%0.801SS**  trans-162.9136.1153.5-85.2-163.4000113.4
68Q29.5Very low30.3Very low178 Ų178133.1 Ų133.183%0.83281%0.807SS**  trans136.3120.1149.1-77.1-177.673.800111.4
69A31Very low31.2Very low87 Ų87130.6 Ų130.672%0.71981%0.806SS**  72.4147.678.100000112
70V29.2Very low31.2Very low117 Ų117129.8 Ų129.871%0.70981%0.811SS**  cis-157.4179.632.7-164.90000109.9
71L31.4Very low31.3Very low143 Ų143125.3 Ų125.375%0.74981%0.807SS**  trans95.2135156.6-46.4176000117.6
72N29.5Very low31.8Very low151 Ų151128 Ų12881%0.80781%0.811SS**  cis-160.8163-18.6-113-3.7000110.4
73A32Very low32.4Very low96 Ų96128.8 Ų128.879%0.79381%0.807SS**  trans-112162-169.400000115.6
74V29.1Very low32.7Very low147 Ų147133.5 Ų133.589%0.89181%0.809SS**  trans-173152.6153129.70000109.1
75A31.7Very low33.5Very low86 Ų86129.4 Ų129.471%0.71180%0.8SS**  cis-173.9156.6-41.800000108.9
76A30.8Very low34.3Very low109 Ų109125.8 Ų125.890%0.90179%0.792SS**  trans90.7126.3-17500000114.3
77G29.3Very low35.2Very low73 Ų73125.9 Ų125.975%0.75379%0.793SS**  cis111.3111.529.100000107.2
78T33.7Very low36.5Very low143 Ų143123.3 Ų123.388%0.87779%0.786SS**  -164.8149.654-560000111.3
79P46.6Very low37.4Very low121 Ų121120.3 Ų120.379%0.78678%0.782SS**  trans-117.6155.617539.9-30.3000115.6
80A30.6Very low37.5Very low96 Ų96120 Ų12079%0.79378%0.779SS**  trans160.4141155.500000110.3
81S33.2Very low37.5Very low119 Ų119123.6 Ų123.683%0.83279%0.788SS**  cis-158.4157.9-8.9-82.20000111.4
82Q38.1Very low37.7Very low177 Ų177122 Ų12283%0.82779%0.789SS**  trans-74.9-177.2170.6-97.3-178.5-39.900113.3
83P41.3Very low38.5Very low120 Ų120121 Ų12178%0.77979%0.791SS**  cis-137.8-174.313.930-4.2000118.1
84Q33.4Very low38.5Very low174 Ų174120.7 Ų120.781%0.81379%0.788SS**  trans-96.9-162.4176.2-37170.1-76.800111.9
85P46.5Very low38.5Very low111 Ų111120 Ų12072%0.72179%0.789SS**  cis-130.2-128.3-19.228.3-1.1000113.8
86P48.1Very low38.5Very low112 Ų112119.8 Ų119.873%0.72780%0.795SS**  -115.4-141.9-99.238.9-18.6000117.1
87P53.8Low38.4Very low117 Ų117118.7 Ų118.776%0.7679%0.794SS**  -112-132.9-108.433-9.7000118.3
88P57.9Low38.4Very low113 Ų113127.4 Ų127.473%0.73481%0.805SS**  -102.2-157.4-123.341.4-21.3000113.6
89P48.3Very low38.3Very low115 Ų115127.2 Ų127.275%0.74780%0.803SS**  cis-147.2-164.67.144.7-22.2000118.7
90A33.4Very low37.6Very low79 Ų79127.6 Ų127.665%0.65380%0.803SS**  trans87.2126.6142.600000124.8
91E29Very low37.8Very low193 Ų193128.3 Ų128.390%0.90280%0.802SS**  trans78158.1136-68.6-172.4128.300125.3
92S36Very low38.8Very low109 Ų109128.8 Ų128.876%0.76280%0.802SS**  trans-77.4172.5-160.3-40.10000116.2
93P46.5Very low38.3Very low131 Ų131124 Ų12485%0.85180%0.801SS**  -150179.291.437.8-18.6000117.5
94A31.6Very low37.9Very low89 Ų89122.7 Ų122.774%0.73680%0.8SS**  trans-68.8172.4-178.700000114.3
95C29.4Very low37.9Very low134 Ų134124.2 Ų124.291%0.90580%0.804SS**  -166.4170.856.1-56.50000109.5
96G30.7Very low37.2Very low81 Ų81126.7 Ų126.784%0.83581%0.806SS**  cis169175.60.900000110
97G28.4Very low37.1Very low86 Ų86126.9 Ų126.989%0.88781%0.807SS**  trans151.5109.2172.100000115.9
98W29.7Very low36.2Very low256 Ų256125 Ų12597%0.9780%0.802SS**  trans-109139.3179-112.8-5.2000111.2
99V32.8Very low35.1Very low138 Ų138131.5 Ų131.584%0.83681%0.812SS**  trans-148.2108.8143178.80000111.2
100T31.2Very low34.3Very low130 Ų130131 Ų13180%0.79882%0.817SS**  trans25.8132.5140.6-21.70000123.9
101S35.3Very low34.7Very low111 Ų111131.1 Ų131.178%0.77682%0.818SS**  trans-85.8-157.7165.8-29.20000111.8
102P53.6Low35.1Very low128 Ų128129.2 Ų129.283%0.83181%0.814SS**  cis-147.117317.443.8-22.8000120.4
103G27.8Very low35.2Very low78 Ų78128.6 Ų128.680%0.80481%0.809SS**  trans97.8152.3146.800000118.5
104A33.4Very low35.1Very low92 Ų92129.6 Ų129.676%0.7681%0.807SS**  cis-170.7167.9-13.400000111
105K31.8Very low35.6Very low206 Ų206133.2 Ų133.290%0.89681%0.808SS**  trans100.4114.2157.1-58.6-176.9179.2-179.70121.1
106E32Very low35.9Very low163 Ų163133 Ų13376%0.76280%0.804SS**  trans-71.3-179.9147.1-131-149.5102.600110.4A108E106-A108 PolarHBondContact OE1-N 3.04Å
107P47Very low36.2Very low116 Ų116133.9 Ų133.975%0.75380%0.796SS**  cis-152.6167.442.843-20.1000122.2
108A34.2Very low36.6Very low77 Ų77136.4 Ų136.464%0.63679%0.79SS**  trans55.8115.7135.800000126.4E106E106-A108 PolarHBondContact OE1-N 3.04Å
109R35Very low37.1Very low250 Ų250129 Ų12994%0.94378%0.777SS**  58.4126.9106.8-155.9-177.6-164.4173.55.3123.5
110A31.9Very low37.5Very low103 Ų103129.2 Ų129.285%0.85177%0.774SS**  trans-158.8167.3151.200000111.7
111A40.6Very low37.9Very low82 Ų82127.6 Ų127.668%0.67877%0.768SS**  trans-157.4172.6-17200000115
112N38.5Very low38.1Very low154 Ų154130.2 Ų130.282%0.82477%0.773SS**  trans77.6159169.2-34.8-17.9000115.5
113S37.8Very low37.7Very low95 Ų95129 Ų12966%0.66477%0.767SS**  cis-176.9152.41.725.20000112.7
114L44.5Very low38.3Very low152 Ų152133 Ų13380%0.79677%0.771SS**  trans50.2166.9150.1-77.691.9000121
115E41.5Very low38.8Very low165 Ų165133.5 Ų133.577%0.77177%0.768SS**  cis170.2148.5-32.2-95-151.3129.200107.4
116T35.8Very low39.2Very low131 Ų131131.3 Ų131.380%0.80477%0.766SS**  trans-179.4120.8156.8460000108.7
117S37.7Very low39.5Very low98 Ų98127.9 Ų127.969%0.68576%0.76SS**  71.7144.878.8-65.40000116
118D37.2Very low38.9Very low139 Ų139130 Ų13074%0.74376%0.76SS**  cis-174.5155.5-20.3-90.3-46.7000108.3
119S39.8Very low39.1Very low101 Ų101131.5 Ų131.571%0.70676%0.761SS**  trans55.8160.6151.3-74.60000122.1
120D40.4Very low39.4Very low143 Ų143126.2 Ų126.277%0.76575%0.752SS**  cis-160.8167.1-14.9-104.2-40.2000110.8
121S40.9Very low39.8Very low96 Ų96126 Ų12667%0.67174%0.744SS**  trans1.9146.8163-53.40000123.9
122D39.9Very low39.9Very low165 Ų165128.4 Ų128.488%0.88275%0.746SS**  -173.3165.195.7-94.8-34.4000114.6
123S44.8Very low40Very low102 Ų102125.8 Ų125.871%0.71374%0.739SS**  trans-86.2167.4-169.5-59.20000114.7
124D40.1Very low40.3Very low164 Ų164125.9 Ų125.988%0.87774%0.74SS**  -168.5160114.6-95.8-28.3000113.7
125S43.1Very low40.2Very low101 Ų101124 Ų12471%0.70674%0.739SS**  trans-77.1166-170.6-570000114.8
126D40.3Very low40.3Very low161 Ų161121.1 Ų121.186%0.86174%0.738SS**  -173.5153.7104.7-88.1-21000113.3
127S38.8Very low40.5Very low90 Ų90120.2 Ų120.263%0.62974%0.736SS**  trans-77.5167.2179.939.20000112.2
128E35.4Very low40.6Very low161 Ų161120.1 Ų120.175%0.75274%0.736SS**  -164.5168.880.9-81.5-52.613900113.2
129T38.3Very low40.8Very low108 Ų108118.7 Ų118.766%0.66374%0.737SS**  trans-84.5163.4-175.558.40000114.5
130D39.9Very low40.6Very low139 Ų139119.4 Ų119.474%0.74374%0.742SS**  173.1120.1118.8-79.6-11.4000107.7
131S40.8Very low40.8Very low99 Ų99117.9 Ų117.969%0.69274%0.743SS**  49.8129.582.3-90.10000113.3
132D43.3Very low40.5Very low133 Ų133119.3 Ų119.371%0.71175%0.753SS**  cis-153.3153.126-113.2-51.5000113.6
133S40.7Very low40.5Very low98 Ų98116.8 Ų116.869%0.68575%0.748SS**  34.2145.7127.1-52.60000120.6
134S43.6Very low40Very low97 Ų97117.2 Ų117.268%0.67875%0.751SS**  cis-167.8147.719.9-0.10000112.2
135S43Very low39.7Very low112 Ų112115.3 Ų115.378%0.78375%0.75SS**  trans63.4153132.5-49.60000118.5
136S42.2Very low39.7Very low106 Ų106116.2 Ų116.274%0.74176%0.757SS**  cis178.2158.47.6250000105.2
137S41Very low39.4Very low111 Ų111114.5 Ų114.578%0.77676%0.757SS**  cis-168.2178.1-12.5-690000103.7
138S39.4Very low39.7Very low97 Ų97115.8 Ų115.868%0.67877%0.766SS**  cis-160.4142.921.90000105.3
139S40.2Very low39.7Very low109 Ų109113.9 Ų113.976%0.76277%0.771SS**  63.8139.285.9-31.20000113.5
140S37.4Very low40Very low116 Ų116114.6 Ų114.681%0.81178%0.779SS**  cis-155.9163.716.7-48.60000112.7
141S44Very low40Very low111 Ų111115.4 Ų115.478%0.77678%0.781SS**  trans-66.6162.4166.3-22.80000113.6
142S34Very low39.9Very low126 Ų126116.1 Ų116.188%0.88179%0.787SS**  -174.5154.8129.8-82.10000112.7
143S39.8Very low40.1Very low112 Ų112117.1 Ų117.178%0.78379%0.791SS**  trans-98168-175.7-50.60000113.5
144S35.3Very low40.1Very low111 Ų111118 Ų11878%0.77679%0.794SS**  trans99.3132.2145.4-540000120.6
145S33.5Very low40.2Very low123 Ų123118.4 Ų118.486%0.8680%0.795SS**  trans84.1129.7146.1-60.30000120.8
146S42.3Very low40.3Very low121 Ų121120 Ų12085%0.84680%0.799SS**  trans-64.6142.2176.5-41.40000113.9
147S35Very low40.4Very low125 Ų125122.4 Ų122.487%0.87480%0.803SS**  trans-169.7151.8131-115.70000112.4
148S45Very low40.4Very low116 Ų116122.9 Ų122.981%0.81181%0.806SS**  trans-65.3140.8-173.2-41.80000114.8
149S34.3Very low40.7Very low122 Ų122126 Ų12685%0.85382%0.815SS**  trans-166.7141144.8-83.50000111.5
150C45.2Very low40.8Very low122 Ų122124 Ų12482%0.82481%0.812SS**  trans-85.2135.2-178.147.20000112.4
151I39.7Very low41.2Very low156 Ų156125.9 Ų125.980%0.881%0.813SS**  trans-134.4115.3164.4-57.2-177.5000108.5
152S39.6Very low41.3Very low115 Ų115128.4 Ų128.480%0.80482%0.818SS**  trans-80136179.3-540000111.3
153L46.4Very low42Very low153 Ų153128.1 Ų128.180%0.80181%0.806SS**  trans-113.9142.5163.9-63.8178.3000109.3
154P40.9Very low42.4Very low117 Ų117130.6 Ų130.676%0.7681%0.81SS**  trans-76.2136-174.530-34.2000111.7
155P46.9Very low43Very low105 Ų105133.8 Ų133.868%0.68281%0.813SS**  trans-74.9134.1172.230.9-32.6000110.5L157P155-L157 PolarHBondContact O-N 3.47Å
156V43.6Very low43.5Very low145 Ų145134.3 Ų134.388%0.87981%0.811SS**  trans-69.7114163.7174.20000107.2S158V156-S158 PolarHBondContact O-N 3.14Å
157L44.3Very low43.6Very low158 Ų158137.1 Ų137.183%0.82781%0.81SS**  trans-69.6115.9177.4-61.5175.1000109.3P155P155-L157 PolarHBondContact O-N 3.47Å
158S41.4Very low44.4Very low120 Ų120140.7 Ų140.784%0.83981%0.81SS**  trans-84.8119.8157.5-172.30000107.5V156V156-S158 PolarHBondContact O-N 3.14Å
159D47Very low44.3Very low162 Ų162140.9 Ų140.987%0.86680%0.798SS**  trans-60.2138.9175.1-161.850.3000110.5
160G41.2Very low44.9Very low68 Ų68141.7 Ų141.770%0.70179%0.793SS**  trans158.381.6-16900000111.7
161D45.4Very low45.3Very low155 Ų155141 Ų14183%0.82978%0.776SS**  trans-81.1113.5-176.553.4-39000113.3
162D47.3Very low46.1Very low164 Ų164141.3 Ų141.388%0.87778%0.779SS**  trans-149.1126.8142.7-144.3-19.8000109.8
163D47.8Very low47Very low120 Ų120142.1 Ų142.164%0.64277%0.768SS**  trans-9896.8-167.217830.3000111.3
164L47.5Very low48.1Very low165 Ų165139 Ų13986%0.86476%0.757SS**  trans-133.5100.4157.8-75-179.2000110.7V166L164-V166 PolarHBondContact O-N 3.22Å
165Q48.3Very low49.3Very low177 Ų177142.1 Ų142.183%0.82777%0.767SS**  trans-60.4101.8168.6-66.2166.447.500110.5
166V45.3Very low50.3Low135 Ų135140.7 Ų140.782%0.81875%0.75SS**  trans-110.5135.2157.1179.90000107.5L164L164-V166 PolarHBondContact O-N 3.22Å
167E44Very low51.6Low180 Ų180135.6 Ų135.684%0.84172%0.719SS**  trans-57.1140.8-169.9-68.8-176.9117.900112.7E169E167-E169 PolarHBondContact O-N 3.13Å
168K50.8Low52.9Low199 Ų199137.3 Ų137.387%0.86572%0.72SS**  trans-7268.6-179.9-173.2178.1178174.60110.8N170K168-N170 PolarHBondContact O-N 3.13Å
169E44.3Very low54.3Low121 Ų121137.2 Ų137.257%0.56571%0.71SS**  trans-72.196.5162.553.1166.6-136.500109.4E167 K171E167-E169 PolarHBondContact O-N 3.13Å; E169-K171 HydrophobicContact CB-CG 4.45Å; E169-K171 PolarHBondContact O-N 3.03Å; E169-K171 WeakPolarHBondContact OE1-CD 3.04Å; E169-K171 VanDerWaalsContact OE1-CE 3.29Å; E169-K171 WeakPolarHBondContact OE1-CE 2.86Å; E169-K171 IonicContact OE1-NZ 3.82Å; E169-K171 PolarHBondContact OE1-NZ 3.46Å; E169-K171 WeakPolarHBondContact OE2-CE 3.48Å; E169-K171 IonicContact OE2-NZ 2.56Å; E169-K171 PolarHBondContact OE2-NZ 3.46Å
170N47Very low55.8Low138 Ų138133.5 Ų133.574%0.73869%0.687SS**  trans-68.659.6168.155.7-25.9000111.3K168 N172K168-N170 PolarHBondContact O-N 3.13Å; N170-N172 PolarHBondContact O-N 3.43Å; N170-N172 PolarHBondContact O-OD1 3.03Å
171K53.6Low57.5Low108 Ų108136.1 Ų136.147%0.4769%0.685SS.*  trans-74.1117.8162-68.5177.1-173.7156.40107.3E169 F173E169-K171 HydrophobicContact CB-CG 4.45Å; E169-K171 PolarHBondContact O-N 3.03Å; E169-K171 WeakPolarHBondContact OE1-CD 3.04Å; E169-K171 VanDerWaalsContact OE1-CE 3.29Å; E169-K171 WeakPolarHBondContact OE1-CE 2.86Å; E169-K171 IonicContact OE1-NZ 3.82Å; E169-K171 PolarHBondContact OE1-NZ 3.46Å; E169-K171 WeakPolarHBondContact OE2-CE 3.48Å; E169-K171 IonicContact OE2-NZ 2.56Å; E169-K171 PolarHBondContact OE2-NZ 3.46Å; K171-F173 HydrophobicContact CB-CD2 3.62Å; K171-F173 HydrophobicContact CB-CE1 4.48Å; K171-F173 HydrophobicContact CB-CE2 3.38Å; K171-F173 HydrophobicContact CB-CG 4.3Å; K171-F173 HydrophobicContact CB-CZ 3.86Å; K171-F173 HydrophobicContact CD-CE1 4.42Å; K171-F173 HydrophobicContact CD-CE2 3.48Å; K171-F173 VanDerWaalsContact CD-CE2 3.48Å; K171-F173 HydrophobicContact CD-CZ 3.41Å; K171-F173 VanDerWaalsContact CD-CZ 3.41Å; K171-F173 HydrophobicContact CG-CE2 4.06Å; K171-F173 HydrophobicContact CG-CZ 4.26Å; K171-F173 PolarHBondContact O-N 2.86Å
172N56Low59.2Low162 Ų162131 Ų13187%0.86666%0.657SS**  trans-69.863.3172.6-6857.7000110.5N170N170-N172 PolarHBondContact O-N 3.43Å; N170-N172 PolarHBondContact O-OD1 3.03Å
173F58.2Low60.7Low132 Ų132125.1 Ų125.158%0.57963%0.625SS**  trans-67.3140.7168.8-66.7-63000109.3K171K171-F173 HydrophobicContact CB-CD2 3.62Å; K171-F173 HydrophobicContact CB-CE1 4.48Å; K171-F173 HydrophobicContact CB-CE2 3.38Å; K171-F173 HydrophobicContact CB-CG 4.3Å; K171-F173 HydrophobicContact CB-CZ 3.86Å; K171-F173 HydrophobicContact CD-CE1 4.42Å; K171-F173 HydrophobicContact CD-CE2 3.48Å; K171-F173 VanDerWaalsContact CD-CE2 3.48Å; K171-F173 HydrophobicContact CD-CZ 3.41Å; K171-F173 VanDerWaalsContact CD-CZ 3.41Å; K171-F173 HydrophobicContact CG-CE2 4.06Å; K171-F173 HydrophobicContact CG-CZ 4.26Å; K171-F173 PolarHBondContact O-N 2.86Å
174P69.1Low62.1Low87 Ų87125.6 Ų125.657%0.56563%0.628SS**  trans-49.4145.3162.2-25.535.1000110.2K176P174-K176 PolarHBondContact O-N 3.46Å
175L66.8Low63.8Low183 Ų183122.5 Ų122.596%0.95861%0.609SS**  trans-65.1106.8173.5-71.1170.2000108.4
176K67.4Low65.6Low75 Ų75116.3 Ų116.333%0.32658%0.581SS.*  trans-96.5143177.2-60.5-177.373-1670111.3P174 E180 L182 E185P174-K176 PolarHBondContact O-N 3.46Å; K176-E180 VanDerWaalsContact CA-OE2 3.23Å; K176-E180 WeakPolarHBondContact CA-OE2 2.95Å; K176-E180 WeakPolarHBondContact CE-O 3.33Å; K176-E180 PolarHBondContact NZ-O 3.07Å; K176-L182 HydrophobicContact CD-CD1 4.07Å; K176-L182 HydrophobicContact CD-CD2 3.88Å; K176-L182 HydrophobicContact CD-CG 3.8Å; K176-L182 HydrophobicContact CG-CD2 4.2Å; K176-E185 IonicContact NZ-OE1 2.69Å; K176-E185 PolarHBondContact NZ-OE1 2.88Å; K176-E185 IonicContact NZ-OE2 2.68Å; K176-E185 PolarHBondContact NZ-OE2 2.87Å
177T72Confident67.6Low39 Ų39114.8 Ų114.824%0.23957%0.574CS.*  trans-79.6168.8158.177.10000110.6D179 E180 N307T177-D179 PolarHBondContact O-N 3.37Å; T177-D179 VanDerWaalsContact O-N 3.14Å; T177-E180 WeakPolarHBondContact CB-OE1 3.42Å; T177-E180 WeakPolarHBondContact CG2-OE1 3.32Å; T177-E180 VanDerWaalsContact N-CD 3.26Å; T177-E180 PolarHBondContact N-OE1 2.97Å; T177-E180 PolarHBondContact N-OE2 2.83Å; T177-E180 PolarHBondContact O-N 3.48Å; T177-E180 WeakPolarHBondContact OG1-CG 3.09Å; T177-E180 PolarHBondContact OG1-OE1 3.49Å; T177-N307 HydrophobicContact CG2-CB 3.88Å
178K71.5Confident69.6Low194 Ų194111.1 Ų111.184%0.84357%0.568SS**THydrogen-bonded Turntrans-63.8-24.7-165-66.5-173177.7-172.50114.6
179D70.3Confident71.5Confident117 Ų117103.8 Ų103.863%0.62654%0.54SS*.THydrogen-bonded Turntrans-117.46.8-169.3-51.3-66.2000112.2T177T177-D179 PolarHBondContact O-N 3.37Å; T177-D179 VanDerWaalsContact O-N 3.14Å
180E77.2Confident73.5Confident85 Ų85105.7 Ų105.740%0.39755%0.549SS..PPolyproline II helixtrans-78.1131.6175.5-81.2159-148.500111.8K176 T177K176-E180 VanDerWaalsContact CA-OE2 3.23Å; K176-E180 WeakPolarHBondContact CA-OE2 2.95Å; K176-E180 WeakPolarHBondContact CE-O 3.33Å; K176-E180 PolarHBondContact NZ-O 3.07Å; T177-E180 WeakPolarHBondContact CB-OE1 3.42Å; T177-E180 WeakPolarHBondContact CG2-OE1 3.32Å; T177-E180 VanDerWaalsContact N-CD 3.26Å; T177-E180 PolarHBondContact N-OE1 2.97Å; T177-E180 PolarHBondContact N-OE2 2.83Å; T177-E180 PolarHBondContact O-N 3.48Å; T177-E180 WeakPolarHBondContact OG1-CG 3.09Å; T177-E180 PolarHBondContact OG1-OE1 3.49Å
181L78.6Confident75.4Confident123 Ų123104.1 Ų104.164%0.64454%0.537SS*.PPolyproline II helixtrans-98.4129.8172.8-62.2179.9000110.6E185 L186L181-E185 WeakPolarHBondContact CA-OE2 3.17Å; L181-L186 HydrophobicContact CB-CD2 4.15Å; L181-L186 HydrophobicContact CD1-CD2 3.94Å
182L80.3Confident76.9Confident48 Ų48100.4 Ų100.425%0.25152%0.522SS..PPolyproline II helixtrans-77.4157.5170.7-64.4-175.9000111.2K176 N184 E185 L186K176-L182 HydrophobicContact CD-CD1 4.07Å; K176-L182 HydrophobicContact CD-CD2 3.88Å; K176-L182 HydrophobicContact CD-CG 3.8Å; K176-L182 HydrophobicContact CG-CD2 4.2Å; L182-N184 PolarHBondContact O-N 3.44Å; L182-E185 HydrophobicContact CB-CG 4.19Å; L182-E185 PolarHBondContact N-OE2 2.81Å; L182-E185 WeakPolarHBondContact O-CB 3.47Å; L182-E185 PolarHBondContact O-N 2.91Å; L182-L186 PolarHBondContact O-N 2.96Å; L182-L186 VanDerWaalsContact O-N 3.16Å
183L79.5Confident78.4Confident40 Ų4098 Ų9821%0.20951%0.514CS..THydrogen-bonded Turntrans-54.3-23.6171-61176.4000113.6L186 L215 F245 R259L183-L186 HydrophobicContact CD2-CD1 4.42Å; L183-L215 HydrophobicContact CD1-CD1 3.77Å; L183-L215 HydrophobicContact CD1-CD2 4.27Å; L183-L215 HydrophobicContact CD1-CG 3.92Å; L183-L215 HydrophobicContact CD2-CD1 4.36Å; L183-L215 HydrophobicContact CD2-CD2 4.3Å; L183-F245 HydrophobicContact CD2-CE1 4.19Å; L183-F245 HydrophobicContact CD2-CZ 4.31Å; L183-R259 PolarHBondContact O-NH2 2.89Å
184N77.2Confident80Confident130 Ų13094.4 Ų94.470%0.69550%0.5SS*.THydrogen-bonded Turntrans-88.1-13.9178.4-60.4-6.2000113.4L182 Q214L182-N184 PolarHBondContact O-N 3.44Å; N184-Q214 PolarHBondContact OD1-NE2 2.9Å
185E81.9Confident81.1Confident99 Ų9995.9 Ų95.946%0.46350%0.502SS..THydrogen-bonded Turntrans-95.6-22.9176.6-66160.9-171.400111.2K176 L181 L182K176-E185 IonicContact NZ-OE1 2.69Å; K176-E185 PolarHBondContact NZ-OE1 2.88Å; K176-E185 IonicContact NZ-OE2 2.68Å; K176-E185 PolarHBondContact NZ-OE2 2.87Å; L181-E185 WeakPolarHBondContact CA-OE2 3.17Å; L182-E185 HydrophobicContact CB-CG 4.19Å; L182-E185 PolarHBondContact N-OE2 2.81Å; L182-E185 WeakPolarHBondContact O-CB 3.47Å; L182-E185 PolarHBondContact O-N 2.91Å
186L85.8Confident82.4Confident47 Ų4787.3 Ų87.325%0.24646%0.457CS..SBendtrans-68.9142.3171.3-66.3178000111.3L181 L182 L183 F245 R259L181-L186 HydrophobicContact CB-CD2 4.15Å; L181-L186 HydrophobicContact CD1-CD2 3.94Å; L182-L186 PolarHBondContact O-N 2.96Å; L182-L186 VanDerWaalsContact O-N 3.16Å; L183-L186 HydrophobicContact CD2-CD1 4.42Å; L186-F245 HydrophobicContact CD1-CE2 4Å; L186-F245 HydrophobicContact CD1-CZ 3.69Å; L186-R259 PolarHBondContact O-NH2 2.9Å
187P87.3Confident83.6Confident103 Ų10387.1 Ų87.167%0.66946%0.464SS*.PPolyproline II helixtrans-57.9153.3179.325.8-35.5000112.3R259P187-R259 PolarHBondContact O-NH1 3.49Å; P187-R259 PolarHBondContact O-NH2 2.84Å
188S87.8Confident84.5Confident103 Ų10393.3 Ų93.372%0.7249%0.49SS*.PPolyproline II helixtrans-59.1138.9175.553.90000111.5N261S188-N261 VanDerWaalsContact CA-OD1 3.28Å; S188-N261 WeakPolarHBondContact CA-OD1 3.27Å; S188-N261 WeakPolarHBondContact CB-OD1 3.41Å
189V89.2Confident85.4Confident45 Ų4590.5 Ų90.527%0.27348%0.484SS..PPolyproline II helixtrans-76.5140.2178-176.50000110.1R259 N261V189-R259 HydrophobicContact CG2-CB 4.15Å; V189-R259 HydrophobicContact CG2-CG 3.81Å; V189-N261 PolarHBondContact N-OD1 3.21Å; V189-N261 PolarHBondContact O-ND2 2.82Å
190E87.3Confident86.5Confident162 Ų16285.5 Ų85.576%0.75746%0.457SS*.PPolyproline II helixtrans-66.6132.8174.3-175.8177177.300111.2L192E190-L192 PolarHBondContact O-N 3.36Å; E190-L192 VanDerWaalsContact O-N 3.15Å
191E86.2Confident87.3Confident104 Ų10486.3 Ų86.349%0.48646%0.461SS..  trans-78.8100.8178.1-175.8171.5-159.700111.6T193 H265E191-T193 HydrophobicContact CG-CG2 4.15Å; E191-T193 PolarHBondContact O-N 2.9Å; E191-H265 IonicContact OE1-CD2 2.81Å; E191-H265 IonicContact OE1-CE1 2.77Å; E191-H265 IonicContact OE1-NE2 2.73Å; E191-H265 PolarHBondContact OE1-NE2 2.78Å; E191-H265 IonicContact OE2-NE2 3.73Å
192L86.3Confident88Confident30 Ų3082.1 Ų82.116%0.15744%0.439CS..  trans-70.3118.2171.7-57.8-176.7000110.5E190 I194 V232 A240 K243 K269E190-L192 PolarHBondContact O-N 3.36Å; E190-L192 VanDerWaalsContact O-N 3.15Å; L192-I194 HydrophobicContact CD2-CD1 4.3Å; L192-V232 HydrophobicContact CD1-CG1 3.89Å; L192-V232 HydrophobicContact CD1-CG2 3.99Å; L192-A240 HydrophobicContact CB-CB 3.97Å; L192-K243 HydrophobicContact CD1-CB 4.21Å; L192-K269 PolarHBondContact O-NZ 3.5Å
193T87.4Confident88.7Confident112 Ų11283.3 Ų83.369%0.68744%0.442SS*.  trans-114.424.717547.90000112E191 I195E191-T193 HydrophobicContact CG-CG2 4.15Å; E191-T193 PolarHBondContact O-N 2.9Å; T193-I195 PolarHBondContact O-N 3.2Å
194I90.6Very high89.5Confident56 Ų5683.9 Ų83.929%0.28745%0.448SS..  trans-69.1127.9-178.8-55.2167.9000109.3L192 F234 A240 F286L192-I194 HydrophobicContact CD2-CD1 4.3Å; I194-F234 HydrophobicContact CG2-CE1 4.38Å; I194-A240 HydrophobicContact CB-CB 4.01Å; I194-A240 WeakPolarHBondContact O-CB 3.46Å; I194-A240 PolarHBondContact O-N 3.4Å; I194-F286 HydrophobicContact CD1-CE1 3.8Å; I194-F286 HydrophobicContact CD1-CZ 4.16Å; I194-F286 HydrophobicContact CG2-CE2 4.36Å; I194-F286 HydrophobicContact CG2-CZ 4.01Å
195I93Very high90.3Very high119 Ų11977.7 Ų77.761%0.6142%0.415SS*.BIsolated β-bridgetrans-107120.8170.4-54.5180000107.6T193 Q239T193-I195 PolarHBondContact O-N 3.2Å; I195-Q239 HydrophobicContact CG1-CG 4.44Å
196L92.9Very high91Very high2 Ų273 Ų731%0.0139%0.393CS..  trans-80.2125.5-178.7-158.672.1000109.9I200 L202 F234 R238 A280 M283 F286L196-I200 HydrophobicContact CD1-CD1 3.69Å; L196-I200 HydrophobicContact CD1-CG2 4.46Å; L196-I200 HydrophobicContact CD2-CB 4.09Å; L196-I200 HydrophobicContact CD2-CG2 3.77Å; L196-I200 HydrophobicContact CG-CB 4.12Å; L196-I200 HydrophobicContact CG-CD1 3.72Å; L196-I200 HydrophobicContact CG-CG2 4.19Å; L196-L202 HydrophobicContact CD2-CD2 3.42Å; L196-L202 VanDerWaalsContact CD2-CD2 3.42Å; L196-L202 HydrophobicContact CD2-CG 3.92Å; L196-F234 HydrophobicContact CB-CD1 4.1Å; L196-F234 HydrophobicContact CB-CE1 3.98Å; L196-F234 HydrophobicContact CD1-CE1 4.02Å; L196-F234 HydrophobicContact CD1-CZ 3.97Å; L196-F234 HydrophobicContact CD2-CD1 4.47Å; L196-F234 HydrophobicContact CD2-CE1 4.46Å; L196-F234 HydrophobicContact CG-CE1 4.4Å; L196-R238 HydrophobicContact CB-CB 4.21Å; L196-R238 WeakPolarHBondContact CB-O 3.44Å; L196-R238 PolarHBondContact N-O 2.85Å; L196-R238 WeakPolarHBondContact O-CB 3.45Å; L196-R238 WeakPolarHBondContact O-CD 3.42Å; L196-A280 HydrophobicContact CD1-CB 4.38Å; L196-A280 HydrophobicContact CD2-CB 3.76Å; L196-M283 HydrophobicContact CD1-SD 3.62Å; L196-F286 HydrophobicContact CD1-CD2 4.06Å; L196-F286 HydrophobicContact CD1-CE2 4.04Å
197P92.4Very high91.5Very high72 Ų7274.4 Ų74.447%0.46840%0.4SS..  trans-66.3163.1179.223.6-30000112.8D199 I200 R238P197-D199 VanDerWaalsContact C-N 3.3Å; P197-D199 WeakPolarHBondContact CB-OD1 3.48Å; P197-D199 WeakPolarHBondContact CG-OD1 3.27Å; P197-D199 PolarHBondContact O-N 3.14Å; P197-I200 HydrophobicContact CG-CD1 3.52Å; P197-I200 PolarHBondContact O-N 2.96Å; P197-R238 PolarHBondContact O-NH1 3.02Å
198E91.2Very high92Very high168 Ų16869.6 Ų69.679%0.78537%0.368SS*.THydrogen-bonded Turntrans-70.8-23.5-166-66.2-176.5-179.700114.4I200 R238E198-I200 PolarHBondContact O-N 3.06Å; E198-R238 PolarHBondContact O-NH1 2.87Å; E198-R238 PolarHBondContact O-NH2 3.38Å
199D91.3Very high92.5Very high136 Ų13667.3 Ų67.373%0.72735%0.352SS*.THydrogen-bonded Turntrans-68.9-18.718064.7-44000113.6P197P197-D199 VanDerWaalsContact C-N 3.3Å; P197-D199 WeakPolarHBondContact CB-OD1 3.48Å; P197-D199 WeakPolarHBondContact CG-OD1 3.27Å; P197-D199 PolarHBondContact O-N 3.14Å
200I92.9Very high92.8Very high11 Ų1167.1 Ų67.16%0.05635%0.353CS..SBendtrans-89.1131.9-179.5-59.2144.2000110.5L196 P197 E198 L202 R238 A280 M283L196-I200 HydrophobicContact CD1-CD1 3.69Å; L196-I200 HydrophobicContact CD1-CG2 4.46Å; L196-I200 HydrophobicContact CD2-CB 4.09Å; L196-I200 HydrophobicContact CD2-CG2 3.77Å; L196-I200 HydrophobicContact CG-CB 4.12Å; L196-I200 HydrophobicContact CG-CD1 3.72Å; L196-I200 HydrophobicContact CG-CG2 4.19Å; P197-I200 HydrophobicContact CG-CD1 3.52Å; P197-I200 PolarHBondContact O-N 2.96Å; E198-I200 PolarHBondContact O-N 3.06Å; I200-L202 PolarHBondContact O-N 2.89Å; I200-R238 PolarHBondContact O-NH1 3.21Å; I200-A280 HydrophobicContact CG2-CB 4.25Å; I200-M283 HydrophobicContact CD1-CE 3.35Å; I200-M283 HydrophobicContact CD1-CG 4.46Å; I200-M283 HydrophobicContact CD1-SD 3.58Å; I200-M283 VanDerWaalsContact CD1-SD 3.58Å; I200-M283 HydrophobicContact CG1-CE 4.14Å; I200-M283 HydrophobicContact CG1-SD 4.3Å
201E93.3Very high93.3Very high102 Ų10262.1 Ų62.148%0.47733%0.331SS..PPolyproline II helixtrans-69.7119.6171.7-171.6-172.8-166.200110.3K203E201-K203 HydrophobicContact CG-CG 4.44Å; E201-K203 WeakPolarHBondContact OE1-CE 3.3Å; E201-K203 IonicContact OE1-NZ 3.46Å; E201-K203 PolarHBondContact OE1-NZ 3.43Å; E201-K203 WeakPolarHBondContact OE2-CE 3.15Å; E201-K203 IonicContact OE2-NZ 3.03Å; E201-K203 PolarHBondContact OE2-NZ 3.35Å
202L94.3Very high93.6Very high35 Ų3561.3 Ų61.318%0.18333%0.329CS..PPolyproline II helixtrans-89.9132163.5-78.2-179.6000109.6L196 I200 F234 R238 Y278 F279 A280L196-L202 HydrophobicContact CD2-CD2 3.42Å; L196-L202 VanDerWaalsContact CD2-CD2 3.42Å; L196-L202 HydrophobicContact CD2-CG 3.92Å; I200-L202 PolarHBondContact O-N 2.89Å; L202-F234 HydrophobicContact CD1-CB 4.5Å; L202-F234 HydrophobicContact CD2-CB 3.9Å; L202-F234 HydrophobicContact CD2-CD2 4.19Å; L202-F234 HydrophobicContact CD2-CG 4.11Å; L202-R238 HydrophobicContact CD1-CB 4.44Å; L202-R238 HydrophobicContact CD1-CG 3.81Å; L202-Y278 HydrophobicContact CB-CD1 4.17Å; L202-Y278 HydrophobicContact CB-CG 4.42Å; L202-F279 WeakPolarHBondContact CA-O 3.36Å; L202-F279 WeakPolarHBondContact CD2-O 3.47Å; L202-A280 HydrophobicContact CD2-CB 4.33Å
203K94.8Very high93.9Very high73 Ų7366.4 Ų66.432%0.31735%0.352SS..EExtended strand (participates in β ladder)trans-107.9140.1169.2-72.4-174.5-171.8161.20110.2E201 L205 Y278 F279 P281E201-K203 HydrophobicContact CG-CG 4.44Å; E201-K203 WeakPolarHBondContact OE1-CE 3.3Å; E201-K203 IonicContact OE1-NZ 3.46Å; E201-K203 PolarHBondContact OE1-NZ 3.43Å; E201-K203 WeakPolarHBondContact OE2-CE 3.15Å; E201-K203 IonicContact OE2-NZ 3.03Å; E201-K203 PolarHBondContact OE2-NZ 3.35Å; K203-L205 PolarHBondContact O-N 3.02Å; K203-Y278 CarbonylContact O-C 3.4Å; K203-Y278 WeakPolarHBondContact O-CA 3.42Å; K203-Y278 WeakPolarHBondContact O-CB 3.35Å; K203-F279 HydrophobicContact CB-CD1 4.11Å; K203-F279 HydrophobicContact CB-CE1 3.59Å; K203-F279 HydrophobicContact CB-CZ 3.98Å; K203-F279 PolarHBondContact N-O 2.71Å; K203-F279 WeakPolarHBondContact O-CD1 2.92Å; K203-F279 PolarHBondContact O-N 3.03Å; K203-P281 HydrophobicContact CB-CG 3.89Å; K203-P281 HydrophobicContact CD-CG 3.53Å; K203-P281 HydrophobicContact CG-CG 3.66Å
204P95.7Very high94.2Very high52 Ų5262.1 Ų62.134%0.33832%0.324SS..EExtended strand (participates in β ladder)trans-62.6131.1172.728.5-34000108.2M221 L224 T276 Y278P204-M221 HydrophobicContact CB-CE 4.32Å; P204-M221 HydrophobicContact CB-SD 3.92Å; P204-M221 HydrophobicContact CG-SD 4.3Å; P204-L224 WeakPolarHBondContact O-CD1 3.15Å; P204-T276 HydrophobicContact CB-CG2 3.96Å; P204-Y278 HydrophobicContact CB-CD1 4.2Å; P204-Y278 HydrophobicContact CB-CE1 4.05Å
205L95.1Very high94.4Very high0 Ų060.7 Ų60.70%032%0.317CS..EExtended strand (participates in β ladder)trans-91.5-41173.9-176.361000111.3K203 S220 M221 L224 V227 I233 Y256 M277 F279K203-L205 PolarHBondContact O-N 3.02Å; L205-S220 WeakPolarHBondContact O-CA 3.47Å; L205-M221 PolarHBondContact O-N 3.36Å; L205-L224 HydrophobicContact CD1-CD1 4.43Å; L205-L224 WeakPolarHBondContact O-CD1 3.45Å; L205-V227 HydrophobicContact CD1-CG2 3.97Å; L205-V227 HydrophobicContact CD2-CG2 4.21Å; L205-I233 HydrophobicContact CD2-CD1 3.29Å; L205-I233 HydrophobicContact CD2-CG1 4.3Å; L205-Y256 HydrophobicContact CD1-CD2 4.3Å; L205-Y256 HydrophobicContact CD1-CE2 3.62Å; L205-Y256 HydrophobicContact CD2-CD2 3.7Å; L205-Y256 HydrophobicContact CD2-CE2 3.87Å; L205-Y256 HydrophobicContact CD2-CG 4.28Å; L205-Y256 HydrophobicContact CG-CD2 3.92Å; L205-Y256 HydrophobicContact CG-CE2 3.72Å; L205-M277 PolarHBondContact N-O 3.17Å; L205-F279 HydrophobicContact CB-CD1 3.78Å; L205-F279 HydrophobicContact CB-CE1 4.43Å; L205-F279 HydrophobicContact CD1-CD1 3.94Å; L205-F279 HydrophobicContact CD1-CE1 4.15Å; L205-F279 HydrophobicContact CD1-CG 4.48Å; L205-F279 HydrophobicContact CG-CD1 4.41Å
206G96.3Very high94.6Very high0 Ų055 Ų550%029%0.288CS..EExtended strand (participates in β ladder)trans175.9-177.6-159.600000112.8E219 T276 M277G206-E219 CarbonylContact C-O 3.58Å; G206-E219 WeakPolarHBondContact CA-O 3.19Å; G206-T276 WeakPolarHBondContact O-CA 3.32Å; G206-M277 PolarHBondContact N-O 2.84Å; G206-M277 PolarHBondContact O-N 2.85Å
207M97.2Very high94.8Very high78 Ų7856.1 Ų56.138%0.38429%0.293SS..EExtended strand (participates in β ladder)trans-125.2140.8177.5-171.7-179-62.600109.9S209 I218 E219 K274 E275M207-S209 PolarHBondContact O-N 2.89Å; M207-S209 VanDerWaalsContact O-N 3.07Å; M207-I218 CarbonylContact O-C 3.52Å; M207-I218 WeakPolarHBondContact O-CA 3.2Å; M207-E219 PolarHBondContact N-O 3.07Å; M207-E219 PolarHBondContact O-N 2.78Å; M207-K274 HydrophobicContact SD-CB 3.98Å; M207-K274 HydrophobicContact SD-CG 4.38Å; M207-E275 CarbonylContact C-O 3.59Å; M207-E275 WeakPolarHBondContact CA-O 3.49Å
208V97.7Very high95.1Very high1 Ų152.7 Ų52.71%0.00627%0.271CS..EExtended strand (participates in β ladder)trans-64.5111.9174-179.40000109.1I211 V216 I218 I271 K272 K274 E275 M277V208-I211 HydrophobicContact CG1-CD1 4.35Å; V208-I211 HydrophobicContact CG1-CG1 3.96Å; V208-V216 HydrophobicContact CB-CG1 4.46Å; V208-V216 HydrophobicContact CG1-CG1 3.7Å; V208-V216 HydrophobicContact CG2-CG1 3.95Å; V208-I218 HydrophobicContact CG2-CG1 4.38Å; V208-I271 HydrophobicContact CG2-CG2 4.13Å; V208-K272 WeakPolarHBondContact CB-O 3.49Å; V208-K274 PolarHBondContact O-N 3.05Å; V208-E275 HydrophobicContact CG2-CB 4.36Å; V208-E275 PolarHBondContact N-O 2.83Å; V208-M277 HydrophobicContact CG2-CE 3.52Å; V208-M277 HydrophobicContact CG2-CG 3.91Å
209S96.8Very high95.3Very high55 Ų5549 Ų4939%0.38525%0.254SS..EExtended strand (participates in β ladder)trans-92.3-39.3-176.1-162.10000110.9M207 I217 E219M207-S209 PolarHBondContact O-N 2.89Å; M207-S209 VanDerWaalsContact O-N 3.07Å; S209-I217 PolarHBondContact N-O 2.87Å; S209-E219 PolarHBondContact OG-OE2 2.88Å
210S97.1Very high95.5Very high42 Ų4243 Ų4329%0.29422%0.223SC..EExtended strand (participates in β ladder)trans-150.1160.1176.6-168.60000112.2I217S210-I217 PolarHBondContact N-O 2.68Å; S210-I217 PolarHBondContact O-N 2.86Å
211I96.1Very high95.5Very high56 Ų5645.8 Ų45.829%0.28724%0.236SC..EExtended strand (participates in β ladder)trans-129.6123.5171.2-58.6172.9000106.3V208 L215 V216 I266 I273V208-I211 HydrophobicContact CG1-CD1 4.35Å; V208-I211 HydrophobicContact CG1-CG1 3.96Å; I211-L215 WeakPolarHBondContact CA-O 3.43Å; I211-V216 HydrophobicContact CG1-CG1 4.44Å; I211-V216 HydrophobicContact CG1-CG2 4.33Å; I211-V216 HydrophobicContact CG2-CG2 4.46Å; I211-I266 HydrophobicContact CD1-CG2 4.12Å; I211-I266 HydrophobicContact CG2-CD1 3.72Å; I211-I266 HydrophobicContact CG2-CG2 4.35Å; I211-I273 HydrophobicContact CD1-CG1 3.98Å; I211-I273 HydrophobicContact CG1-CG1 4.11Å
212I93.9Very high95.2Very high87 Ų8745 Ų4545%0.44624%0.239SC..EExtended strand (participates in β ladder)trans-132.6115.8-173.6-53.8-178000108Q214 L215 I217I212-Q214 PolarHBondContact O-N 3.03Å; I212-L215 PolarHBondContact N-O 3.1Å; I212-L215 WeakPolarHBondContact O-CA 3.1Å; I212-L215 WeakPolarHBondContact O-CB 3.46Å; I212-L215 PolarHBondContact O-N 3.21Å; I212-I217 HydrophobicContact CD1-CD1 3.74Å; I212-I217 HydrophobicContact CG1-CD1 4.31Å
213E91.8Very high94.6Very high137 Ų13750.9 Ų50.964%0.6427%0.271SS*.THydrogen-bonded Turntrans51.8-108.1-174.5-58.3179.7176.300111.9
214Q93.3Very high94.2Very high22 Ų2249.8 Ų49.810%0.10327%0.268CS..THydrogen-bonded Turntrans-108.114.8178.666-165.7-33.800112.9N184 I212 F260N184-Q214 PolarHBondContact OD1-NE2 2.9Å; I212-Q214 PolarHBondContact O-N 3.03Å; Q214-F260 PolarHBondContact O-N 3.36Å; Q214-F260 PolarHBondContact OE1-O 3.02Å
215L95.5Very high93.8Very high26 Ų2650.4 Ų50.414%0.13627%0.272CS..EExtended strand (participates in β ladder)trans-111.1137.7179.5-57.1-175.8000111.6L183 I211 I212 F245 V257 L258 R259L183-L215 HydrophobicContact CD1-CD1 3.77Å; L183-L215 HydrophobicContact CD1-CD2 4.27Å; L183-L215 HydrophobicContact CD1-CG 3.92Å; L183-L215 HydrophobicContact CD2-CD1 4.36Å; L183-L215 HydrophobicContact CD2-CD2 4.3Å; I211-L215 WeakPolarHBondContact CA-O 3.43Å; I212-L215 PolarHBondContact N-O 3.1Å; I212-L215 WeakPolarHBondContact O-CA 3.1Å; I212-L215 WeakPolarHBondContact O-CB 3.46Å; I212-L215 PolarHBondContact O-N 3.21Å; L215-F245 HydrophobicContact CD2-CD1 4.47Å; L215-V257 HydrophobicContact CB-CG1 4.04Å; L215-V257 HydrophobicContact CD1-CG1 4.11Å; L215-V257 HydrophobicContact CD2-CG1 3.96Å; L215-V257 HydrophobicContact CG-CG1 4.26Å; L215-L258 CarbonylContact C-O 3.59Å; L215-L258 WeakPolarHBondContact CA-O 3.41Å; L215-R259 HydrophobicContact CD2-CB 3.68Å; L215-R259 HydrophobicContact CD2-CG 3.75Å
216V97.3Very high93.5Very high0 Ų051.8 Ų51.80%028%0.281CS..EExtended strand (participates in β ladder)trans-110.9124.9170.6179.40000108.7V208 I211 I218 V257 L258 F260 I266 I271V208-V216 HydrophobicContact CB-CG1 4.46Å; V208-V216 HydrophobicContact CG1-CG1 3.7Å; V208-V216 HydrophobicContact CG2-CG1 3.95Å; I211-V216 HydrophobicContact CG1-CG1 4.44Å; I211-V216 HydrophobicContact CG1-CG2 4.33Å; I211-V216 HydrophobicContact CG2-CG2 4.46Å; V216-I218 HydrophobicContact CG1-CG1 4.34Å; V216-V257 CarbonylContact O-C 3.57Å; V216-V257 WeakPolarHBondContact O-CA 3.46Å; V216-L258 HydrophobicContact CB-CB 4.3Å; V216-L258 PolarHBondContact N-O 3.16Å; V216-L258 PolarHBondContact O-N 2.82Å; V216-F260 HydrophobicContact CB-CE2 4.1Å; V216-F260 HydrophobicContact CG2-CD2 3.91Å; V216-F260 HydrophobicContact CG2-CE2 3.5Å; V216-I266 HydrophobicContact CG2-CB 4.47Å; V216-I266 HydrophobicContact CG2-CD1 3.8Å; V216-I266 HydrophobicContact CG2-CG1 4.07Å; V216-I266 HydrophobicContact CG2-CG2 3.58Å; V216-I271 HydrophobicContact CG1-CG2 3.99Å; V216-I271 HydrophobicContact CG2-CG2 4.19Å
217I97.6Very high93.4Very high25 Ų2551.8 Ų51.813%0.12828%0.281CS..EExtended strand (participates in β ladder)trans-103120.1-179.8-57.3176.9000109S209 S210 I212 F248 F255S209-I217 PolarHBondContact N-O 2.87Å; S210-I217 PolarHBondContact N-O 2.68Å; S210-I217 PolarHBondContact O-N 2.86Å; I212-I217 HydrophobicContact CD1-CD1 3.74Å; I212-I217 HydrophobicContact CG1-CD1 4.31Å; I217-F248 HydrophobicContact CD1-CZ 4.36Å; I217-F248 HydrophobicContact CG2-CE1 4.36Å; I217-F248 HydrophobicContact CG2-CZ 3.97Å; I217-F255 HydrophobicContact CG2-CB 4.2Å; I217-F255 HydrophobicContact CG2-CD1 4.06Å
218I97.8Very high93.1Very high0 Ų050.2 Ų50.20%027%0.274CS..EExtended strand (participates in β ladder)trans-108.4117.5-179.8-56.7166.8000108.5M207 V208 V216 I233 F255 Y256 L258 M277M207-I218 CarbonylContact O-C 3.52Å; M207-I218 WeakPolarHBondContact O-CA 3.2Å; V208-I218 HydrophobicContact CG2-CG1 4.38Å; V216-I218 HydrophobicContact CG1-CG1 4.34Å; I218-I233 HydrophobicContact CD1-CG2 4.05Å; I218-F255 CarbonylContact O-C 3.55Å; I218-F255 WeakPolarHBondContact O-CA 3.5Å; I218-Y256 PolarHBondContact N-O 3.49Å; I218-Y256 PolarHBondContact O-N 3.03Å; I218-L258 HydrophobicContact CD1-CD1 3.81Å; I218-L258 HydrophobicContact CD1-CG 3.93Å; I218-M277 HydrophobicContact CD1-CB 3.99Å; I218-M277 HydrophobicContact CD1-CG 3.79Å; I218-M277 HydrophobicContact CG1-CG 4.14Å; I218-M277 HydrophobicContact CG2-CB 4.24Å
219E96.1Very high92.9Very high90 Ų9054.4 Ų54.442%0.42129%0.293SS..EExtended strand (participates in β ladder)trans-80.4125.3172.2-179.8175.816900109.5G206 M207 S209 F255G206-E219 CarbonylContact C-O 3.58Å; G206-E219 WeakPolarHBondContact CA-O 3.19Å; M207-E219 PolarHBondContact N-O 3.07Å; M207-E219 PolarHBondContact O-N 2.78Å; S209-E219 PolarHBondContact OG-OE2 2.88Å; E219-F255 HydrophobicContact CB-CD1 3.94Å; E219-F255 HydrophobicContact CB-CE1 3.75Å; E219-F255 HydrophobicContact CG-CD1 4.27Å; E219-F255 HydrophobicContact CG-CE1 3.68Å; E219-F255 HydrophobicContact CG-CZ 4.32Å
220S95.6Very high92.6Very high12 Ų1256.5 Ų56.58%0.08430%0.297CS..EExtended strand (participates in β ladder)trans-68.8147-177.459.10000113.6L205 P254L205-S220 WeakPolarHBondContact O-CA 3.47Å; S220-P254 WeakPolarHBondContact CB-O 3.4Å; S220-P254 PolarHBondContact N-O 3.33Å; S220-P254 VanDerWaalsContact N-O 3.1Å; S220-P254 WeakPolarHBondContact OG-CD 3.33Å; S220-P254 VanDerWaalsContact OG-N 3.15Å; S220-P254 PolarHBondContact OG-O 2.95Å
221M92.1Very high92.4Very high68 Ų6854.5 Ų54.534%0.33528%0.283SS..PPolyproline II helixtrans-79.3148.5167.7-67.5-171.8-175.500111.3P204 L205 L224 T276P204-M221 HydrophobicContact CB-CE 4.32Å; P204-M221 HydrophobicContact CB-SD 3.92Å; P204-M221 HydrophobicContact CG-SD 4.3Å; L205-M221 PolarHBondContact O-N 3.36Å; M221-L224 HydrophobicContact CB-CD1 3.89Å; M221-T276 HydrophobicContact CE-CG2 3.82Å
222T86.9Confident92.4Very high85 Ų8552.4 Ų52.452%0.52127%0.273SS..THydrogen-bonded Turntrans-60.6149.5178.165.50000112.5L224T222-L224 VanDerWaalsContact C-N 3.35Å
223N81.8Confident92.6Very high160 Ų16048.3 Ų48.386%0.85625%0.252SS*.THydrogen-bonded Turntrans70.319.1175.3-47.5-72.3000116.1
224L85.7Confident92.8Very high49 Ų4941.8 Ų41.826%0.25722%0.221SC..PPolyproline II helixtrans-97.8141.4172.7-64.8171.8000111.4P204 L205 M221 T222 F279P204-L224 WeakPolarHBondContact O-CD1 3.15Å; L205-L224 HydrophobicContact CD1-CD1 4.43Å; L205-L224 WeakPolarHBondContact O-CD1 3.45Å; M221-L224 HydrophobicContact CB-CD1 3.89Å; T222-L224 VanDerWaalsContact C-N 3.35Å; L224-F279 HydrophobicContact CD2-CE1 4.25Å; L224-F279 HydrophobicContact CD2-CZ 4.41Å
225P87.5Confident92.9Very high65 Ų6541.5 Ų41.542%0.42222%0.22SC..PPolyproline II helixtrans-66.3132.716928.3-33.3000109.5V227 Y289P225-V227 PolarHBondContact O-N 2.85Å; P225-Y289 HydrophobicContact CB-CD1 3.96Å; P225-Y289 HydrophobicContact CB-CE1 4.2Å; P225-Y289 HydrophobicContact CG-CD1 3.88Å; P225-Y289 HydrophobicContact CG-CE1 3.59Å
226P89.5Confident92.8Very high30 Ų3043.3 Ų43.320%0.19524%0.235CC..PPolyproline II helixtrans-63131.2-18024.7-32.8000110.8I290 T292P226-I290 HydrophobicContact CB-CB 4.33Å; P226-I290 HydrophobicContact CG-CB 4.22Å; P226-I290 PolarHBondContact O-N 2.89Å; P226-T292 HydrophobicContact CG-CG2 4.15Å
227V93.4Very high92.6Very high0 Ų047.2 Ų47.20%026%0.256CS..BIsolated β-bridgetrans-93154.9176.4-67.30000110.4L205 P225 T231 I244 I247 Y256 F279 T287 Q288 Y289 I290L205-V227 HydrophobicContact CD1-CG2 3.97Å; L205-V227 HydrophobicContact CD2-CG2 4.21Å; P225-V227 PolarHBondContact O-N 2.85Å; V227-T231 HydrophobicContact CB-CG2 4.01Å; V227-T231 HydrophobicContact CG1-CG2 4.27Å; V227-T231 HydrophobicContact CG2-CG2 4.18Å; V227-I244 HydrophobicContact CG2-CD1 3.63Å; V227-I247 WeakPolarHBondContact O-CD1 3.14Å; V227-Y256 HydrophobicContact CG2-CD1 4.22Å; V227-Y256 HydrophobicContact CG2-CE1 3.59Å; V227-Y256 HydrophobicContact CG2-CE2 4.39Å; V227-Y256 PolarHBondContact N-OH 2.9Å; V227-F279 HydrophobicContact CG1-CD2 4.19Å; V227-F279 HydrophobicContact CG1-CE2 4.25Å; V227-T287 HydrophobicContact CG1-CG2 4Å; V227-Q288 CarbonylContact C-O 3.58Å; V227-Q288 WeakPolarHBondContact CA-O 2.96Å; V227-Y289 HydrophobicContact CG1-CD1 3.93Å; V227-Y289 HydrophobicContact CG1-CE1 3.9Å; V227-I290 VanDerWaalsContact O-CD1 3.28Å; V227-I290 WeakPolarHBondContact O-CD1 3.44Å
228N92.8Very high92.5Very high44 Ų4449.5 Ų49.524%0.23526%0.263CS..PPolyproline II helixtrans-91.9163.6-178.4-163.323000111.8E230 T231 Q288 I290N228-E230 PolarHBondContact O-N 3.49Å; N228-T231 WeakPolarHBondContact O-CB 3.4Å; N228-T231 PolarHBondContact O-N 2.91Å; N228-T231 PolarHBondContact O-OG1 3.36Å; N228-Q288 HydrophobicContact CB-CB 4.21Å; N228-Q288 HydrophobicContact CB-CG 4.23Å; N228-Q288 PolarHBondContact N-O 3.46Å; N228-Q288 PolarHBondContact ND2-OE1 2.84Å; N228-I290 HydrophobicContact CB-CD1 4.48Å; N228-I290 HydrophobicContact CB-CG1 3.83Å
229E93.2Very high92.3Very high89 Ų8954 Ų5442%0.41628%0.284SS..THydrogen-bonded Turntrans-50.2-30.9176.4-68.9163.7-162.800112.9T231 K243 I244 I247E229-T231 PolarHBondContact O-N 3.23Å; E229-K243 VanDerWaalsContact O-CE 3.32Å; E229-K243 WeakPolarHBondContact O-CE 3.27Å; E229-K243 WeakPolarHBondContact O-CG 3.19Å; E229-I244 HydrophobicContact CG-CG2 4.38Å; E229-I247 HydrophobicContact CG-CD1 4.08Å; E229-I247 HydrophobicContact CG-CG1 4.04Å
230E88.9Confident92.3Very high100 Ų10049.9 Ų49.947%0.46727%0.265SS..THydrogen-bonded Turntrans-67.8-1175.8-65.1-56.3123.400115.5N228 K243 Q288N228-E230 PolarHBondContact O-N 3.49Å; E230-K243 WeakPolarHBondContact OE1-CE 3.49Å; E230-K243 IonicContact OE1-NZ 2.76Å; E230-K243 PolarHBondContact OE1-NZ 2.76Å; E230-K243 VanDerWaalsContact OE2-CE 3.29Å; E230-K243 WeakPolarHBondContact OE2-CE 3.42Å; E230-K243 IonicContact OE2-NZ 3.69Å; E230-K243 PolarHBondContact OE2-NZ 3.07Å; E230-Q288 HydrophobicContact CB-CB 4.41Å
231T94.8Very high92.3Very high0 Ų049.4 Ų49.40%026%0.262CS..PPolyproline II helixtrans-86.9136.6-175.1-58.20000112.7V227 N228 E229 I233 I244 F286 T287 Q288V227-T231 HydrophobicContact CB-CG2 4.01Å; V227-T231 HydrophobicContact CG1-CG2 4.27Å; V227-T231 HydrophobicContact CG2-CG2 4.18Å; N228-T231 WeakPolarHBondContact O-CB 3.4Å; N228-T231 PolarHBondContact O-N 2.91Å; N228-T231 PolarHBondContact O-OG1 3.36Å; E229-T231 PolarHBondContact O-N 3.23Å; T231-I233 HydrophobicContact CG2-CD1 4.17Å; T231-I244 HydrophobicContact CG2-CD1 4.46Å; T231-I244 PolarHBondContact O-N 3.33Å; T231-F286 CarbonylContact C-O 3.59Å; T231-F286 VanDerWaalsContact CA-O 3.3Å; T231-F286 WeakPolarHBondContact CA-O 3.25Å; T231-F286 WeakPolarHBondContact CG2-O 3.49Å; T231-T287 HydrophobicContact CG2-CG2 4.33Å; T231-Q288 PolarHBondContact OG1-N 3.02Å; T231-Q288 VanDerWaalsContact OG1-N 3.11Å; T231-Q288 PolarHBondContact OG1-O 2.78Å
232V95.8Very high92.4Very high12 Ų1246.5 Ų46.57%0.07325%0.25CC..EExtended strand (participates in β ladder)trans-91.5130.9174.3-177.80000110.1L192 F234 A240 F286L192-V232 HydrophobicContact CD1-CG1 3.89Å; L192-V232 HydrophobicContact CD1-CG2 3.99Å; V232-F234 HydrophobicContact CB-CE2 4.04Å; V232-F234 HydrophobicContact CB-CZ 4.22Å; V232-F234 HydrophobicContact CG1-CE1 4.33Å; V232-F234 HydrophobicContact CG1-CE2 3.89Å; V232-F234 HydrophobicContact CG1-CZ 3.78Å; V232-F234 WeakPolarHBondContact O-CD2 3.32Å; V232-F234 WeakPolarHBondContact O-CE2 3.49Å; V232-A240 HydrophobicContact CG1-CB 3.95Å; V232-F286 HydrophobicContact CB-CB 4.27Å; V232-F286 HydrophobicContact CG2-CD1 4.1Å; V232-F286 PolarHBondContact N-O 3.45Å
233I96.4Very high92.8Very high0 Ų046.3 Ų46.30%024%0.241CC..EExtended strand (participates in β ladder)trans-99.1138.3178.2-57.2-47.3000110.1L205 I218 T231 A240 A241 G242 I244 L258 M277 F279L205-I233 HydrophobicContact CD2-CD1 3.29Å; L205-I233 HydrophobicContact CD2-CG1 4.3Å; I218-I233 HydrophobicContact CD1-CG2 4.05Å; T231-I233 HydrophobicContact CG2-CD1 4.17Å; I233-A240 CarbonylContact O-C 3.56Å; I233-A240 WeakPolarHBondContact O-CA 3.36Å; I233-A241 HydrophobicContact CG2-CB 4.43Å; I233-A241 PolarHBondContact O-N 3.38Å; I233-G242 PolarHBondContact N-O 2.9Å; I233-G242 PolarHBondContact O-N 2.82Å; I233-I244 HydrophobicContact CD1-CD1 4.09Å; I233-I244 HydrophobicContact CD1-CG1 4.11Å; I233-I244 HydrophobicContact CG1-CD1 4.44Å; I233-I244 HydrophobicContact CG1-CG1 3.92Å; I233-L258 HydrophobicContact CB-CD1 4.2Å; I233-L258 HydrophobicContact CB-CD2 4.13Å; I233-L258 HydrophobicContact CG1-CD2 3.76Å; I233-L258 HydrophobicContact CG2-CD1 4.28Å; I233-M277 HydrophobicContact CG2-CB 3.8Å; I233-M277 HydrophobicContact CG2-CG 4.3Å; I233-M277 HydrophobicContact CG2-SD 4.32Å; I233-F279 HydrophobicContact CD1-CB 4.44Å
234F96.3Very high93.5Very high0 Ų039 Ų390%020%0.202CC..EExtended strand (participates in β ladder)trans-118.1148.4-177.7-61.2-92.8000110.7I194 L196 L202 V232 Q239 A240 Y278 A280 F286I194-F234 HydrophobicContact CG2-CE1 4.38Å; L196-F234 HydrophobicContact CB-CD1 4.1Å; L196-F234 HydrophobicContact CB-CE1 3.98Å; L196-F234 HydrophobicContact CD1-CE1 4.02Å; L196-F234 HydrophobicContact CD1-CZ 3.97Å; L196-F234 HydrophobicContact CD2-CD1 4.47Å; L196-F234 HydrophobicContact CD2-CE1 4.46Å; L196-F234 HydrophobicContact CG-CE1 4.4Å; L202-F234 HydrophobicContact CD1-CB 4.5Å; L202-F234 HydrophobicContact CD2-CB 3.9Å; L202-F234 HydrophobicContact CD2-CD2 4.19Å; L202-F234 HydrophobicContact CD2-CG 4.11Å; V232-F234 HydrophobicContact CB-CE2 4.04Å; V232-F234 HydrophobicContact CB-CZ 4.22Å; V232-F234 HydrophobicContact CG1-CE1 4.33Å; V232-F234 HydrophobicContact CG1-CE2 3.89Å; V232-F234 HydrophobicContact CG1-CZ 3.78Å; V232-F234 WeakPolarHBondContact O-CD2 3.32Å; V232-F234 WeakPolarHBondContact O-CE2 3.49Å; F234-Q239 CarbonylContact C-O 3.5Å; F234-Q239 VanDerWaalsContact CA-O 3.32Å; F234-Q239 WeakPolarHBondContact CA-O 3.47Å; F234-A240 HydrophobicContact CD1-CB 4.24Å; F234-A240 HydrophobicContact CE1-CB 4.12Å; F234-Y278 PolarHBondContact N-O 2.85Å; F234-Y278 WeakPolarHBondContact O-CA 3.28Å; F234-Y278 PolarHBondContact O-N 3.03Å; F234-A280 HydrophobicContact CD2-CB 4.31Å; F234-A280 HydrophobicContact CE2-CB 3.91Å; F234-F286 HydrophobicContact CE2-CB 4.29Å; F234-F286 HydrophobicContact CZ-CB 4.36Å; F234-F286 AromaticContact CZ-CD2 3.98Å; F234-F286 HydrophobicContact CZ-CD2 3.98Å; F234-F286 HydrophobicContact CZ-CG 4.16Å
235K95.6Very high93.9Very high16 Ų1639.9 Ų39.97%0.0720%0.204CC..  trans-78173170.1-62.7-173.371-147.40111.3D237 R238 Q239 A241 K269 I271 E275 M277K235-D237 HydrophobicContact CB-CB 4.49Å; K235-D237 IonicContact NZ-OD2 3.76Å; K235-D237 PolarHBondContact NZ-OD2 3Å; K235-D237 PolarHBondContact O-N 3.22Å; K235-D237 VanDerWaalsContact O-N 3.14Å; K235-R238 PolarHBondContact O-N 3.16Å; K235-Q239 PolarHBondContact N-O 2.86Å; K235-A241 HydrophobicContact CG-CB 4.3Å; K235-K269 WeakPolarHBondContact CD-O 3.41Å; K235-K269 VanDerWaalsContact CE-O 3.3Å; K235-K269 WeakPolarHBondContact CE-O 3.5Å; K235-K269 PolarHBondContact NZ-O 2.99Å; K235-I271 HydrophobicContact CD-CG1 4.43Å; K235-E275 WeakPolarHBondContact CE-OE1 3.43Å; K235-E275 IonicContact NZ-OE1 2.75Å; K235-M277 HydrophobicContact CG-SD 4.46Å
236S93.8Very high94.2Very high65 Ų6541.2 Ų41.246%0.45521%0.205SC..THydrogen-bonded Turntrans-49-34.316447.50000112.9R238S236-R238 PolarHBondContact O-N 2.81Å; S236-R238 VanDerWaalsContact O-N 3.13Å
237D93.9Very high94.5Very high82 Ų8241.8 Ų41.844%0.43921%0.206SC..THydrogen-bonded Turntrans-8010.1-172.2-40.2-33.5000112.6K235 Q239K235-D237 HydrophobicContact CB-CB 4.49Å; K235-D237 IonicContact NZ-OD2 3.76Å; K235-D237 PolarHBondContact NZ-OD2 3Å; K235-D237 PolarHBondContact O-N 3.22Å; K235-D237 VanDerWaalsContact O-N 3.14Å; D237-Q239 HydrophobicContact CB-CG 4.32Å; D237-Q239 PolarHBondContact O-N 2.91Å
238R94.3Very high94.5Very high72 Ų7245.7 Ų45.727%0.27222%0.223SC..SBendtrans60.27.4-173.2-60.7177.4173.7-93.44.3115.4L196 P197 E198 I200 L202 K235 S236L196-R238 HydrophobicContact CB-CB 4.21Å; L196-R238 WeakPolarHBondContact CB-O 3.44Å; L196-R238 PolarHBondContact N-O 2.85Å; L196-R238 WeakPolarHBondContact O-CB 3.45Å; L196-R238 WeakPolarHBondContact O-CD 3.42Å; P197-R238 PolarHBondContact O-NH1 3.02Å; E198-R238 PolarHBondContact O-NH1 2.87Å; E198-R238 PolarHBondContact O-NH2 3.38Å; I200-R238 PolarHBondContact O-NH1 3.21Å; L202-R238 HydrophobicContact CD1-CB 4.44Å; L202-R238 HydrophobicContact CD1-CG 3.81Å; K235-R238 PolarHBondContact O-N 3.16Å; S236-R238 PolarHBondContact O-N 2.81Å; S236-R238 VanDerWaalsContact O-N 3.13Å
239Q95Very high94.5Very high95 Ų9546 Ų4644%0.44424%0.237SC..BIsolated β-bridgetrans-84.7141.1175.1-59.5-177.413.100111.1I195 F234 K235 D237 A241I195-Q239 HydrophobicContact CG1-CG 4.44Å; F234-Q239 CarbonylContact C-O 3.5Å; F234-Q239 VanDerWaalsContact CA-O 3.32Å; F234-Q239 WeakPolarHBondContact CA-O 3.47Å; K235-Q239 PolarHBondContact N-O 2.86Å; D237-Q239 HydrophobicContact CB-CG 4.32Å; D237-Q239 PolarHBondContact O-N 2.91Å; Q239-A241 PolarHBondContact O-N 3.12Å
240A95.3Very high94.4Very high4 Ų445.3 Ų45.33%0.03324%0.24CC..EExtended strand (participates in β ladder)trans-66.6120.2173.600000111.4L192 I194 V232 I233 F234 K269L192-A240 HydrophobicContact CB-CB 3.97Å; I194-A240 HydrophobicContact CB-CB 4.01Å; I194-A240 WeakPolarHBondContact O-CB 3.46Å; I194-A240 PolarHBondContact O-N 3.4Å; V232-A240 HydrophobicContact CG1-CB 3.95Å; I233-A240 CarbonylContact O-C 3.56Å; I233-A240 WeakPolarHBondContact O-CA 3.36Å; F234-A240 HydrophobicContact CD1-CB 4.24Å; F234-A240 HydrophobicContact CE1-CB 4.12Å; A240-K269 PolarHBondContact O-NZ 2.83Å
241A95Very high94.3Very high1 Ų145.9 Ų45.91%0.00825%0.25CC..EExtended strand (participates in β ladder)trans-69.4-58.5168.700000109.1I233 K235 Q239 L258 F260 K269 I271I233-A241 HydrophobicContact CG2-CB 4.43Å; I233-A241 PolarHBondContact O-N 3.38Å; K235-A241 HydrophobicContact CG-CB 4.3Å; Q239-A241 PolarHBondContact O-N 3.12Å; A241-L258 HydrophobicContact CB-CD1 3.93Å; A241-F260 WeakPolarHBondContact O-CE1 3.28Å; A241-K269 WeakPolarHBondContact O-CD 3.49Å; A241-K269 VanDerWaalsContact O-CE 3.27Å; A241-K269 WeakPolarHBondContact O-CE 3.34Å; A241-K269 PolarHBondContact O-NZ 3.49Å; A241-K269 VanDerWaalsContact O-NZ 3.12Å; A241-I271 HydrophobicContact CB-CD1 3.93Å
242G94.6Very high94Very high8 Ų849.4 Ų49.48%0.08228%0.279CS..EExtended strand (participates in β ladder)trans177.6-178.9-178.700000111.8I233I233-G242 PolarHBondContact N-O 2.9Å; I233-G242 PolarHBondContact O-N 2.82Å
243K94.9Very high93.8Very high80 Ų8053.1 Ų53.135%0.34830%0.296SS..EExtended strand (participates in β ladder)trans-91.6148172.5-174-173.8173.4-1700109.6L192 E229 E230 F245 L258L192-K243 HydrophobicContact CD1-CB 4.21Å; E229-K243 VanDerWaalsContact O-CE 3.32Å; E229-K243 WeakPolarHBondContact O-CE 3.27Å; E229-K243 WeakPolarHBondContact O-CG 3.19Å; E230-K243 WeakPolarHBondContact OE1-CE 3.49Å; E230-K243 IonicContact OE1-NZ 2.76Å; E230-K243 PolarHBondContact OE1-NZ 2.76Å; E230-K243 VanDerWaalsContact OE2-CE 3.29Å; E230-K243 WeakPolarHBondContact OE2-CE 3.42Å; E230-K243 IonicContact OE2-NZ 3.69Å; E230-K243 PolarHBondContact OE2-NZ 3.07Å; K243-F245 PolarHBondContact O-N 2.86Å; K243-L258 VanDerWaalsContact O-CD2 3.28Å; K243-L258 WeakPolarHBondContact O-CD2 3.28Å
244I96Very high93.7Very high6 Ų653.7 Ų53.73%0.03130%0.299CS..EExtended strand (participates in β ladder)trans-62.1132.9172.9-61.2175.4000109.6V227 E229 T231 I233 E246 I247 Y256 V257 L258V227-I244 HydrophobicContact CG2-CD1 3.63Å; E229-I244 HydrophobicContact CG-CG2 4.38Å; T231-I244 HydrophobicContact CG2-CD1 4.46Å; T231-I244 PolarHBondContact O-N 3.33Å; I233-I244 HydrophobicContact CD1-CD1 4.09Å; I233-I244 HydrophobicContact CD1-CG1 4.11Å; I233-I244 HydrophobicContact CG1-CD1 4.44Å; I233-I244 HydrophobicContact CG1-CG1 3.92Å; I244-E246 WeakPolarHBondContact CG2-O 3.36Å; I244-I247 HydrophobicContact CG2-CD1 4.23Å; I244-I247 HydrophobicContact CG2-CG1 3.72Å; I244-Y256 HydrophobicContact CD1-CD1 3.73Å; I244-Y256 HydrophobicContact CD1-CE1 4.32Å; I244-Y256 HydrophobicContact CD1-CG 4.17Å; I244-V257 CarbonylContact C-O 3.06Å; I244-V257 WeakPolarHBondContact CA-O 3.07Å; I244-L258 HydrophobicContact CG1-CD2 4.28Å
245F95.1Very high93.6Very high68 Ų6856.1 Ų56.130%0.29831%0.31SS..EExtended strand (participates in β ladder)trans-98.7-39.5178.1173.6-106.6000111.7L183 L186 L215 K243 V257 R259L183-F245 HydrophobicContact CD2-CE1 4.19Å; L183-F245 HydrophobicContact CD2-CZ 4.31Å; L186-F245 HydrophobicContact CD1-CE2 4Å; L186-F245 HydrophobicContact CD1-CZ 3.69Å; L215-F245 HydrophobicContact CD2-CD1 4.47Å; K243-F245 PolarHBondContact O-N 2.86Å; F245-V257 HydrophobicContact CD1-CG1 4.16Å; F245-V257 PolarHBondContact N-O 3.28Å; F245-R259 HydrophobicContact CB-CB 3.73Å; F245-R259 HydrophobicContact CD1-CB 4.15Å; F245-R259 HydrophobicContact CD2-CB 3.96Å; F245-R259 HydrophobicContact CG-CB 3.66Å
246E94.4Very high93.7Very high94 Ų9455.5 Ų55.544%0.43931%0.307SS..EExtended strand (participates in β ladder)trans-153.8154.5-177-167.3-178.5153.800110I244 V257I244-E246 WeakPolarHBondContact CG2-O 3.36Å; E246-V257 HydrophobicContact CB-CB 4.06Å; E246-V257 HydrophobicContact CB-CG2 4.1Å; E246-V257 PolarHBondContact O-N 3.16Å
247I94.6Very high93.9Very high41 Ų4152.6 Ų52.621%0.2129%0.286CS..EExtended strand (participates in β ladder)trans-132.1120.9178.1-48.1178.8000108.9V227 E229 I244 P254 F255 Y256 I290V227-I247 WeakPolarHBondContact O-CD1 3.14Å; E229-I247 HydrophobicContact CG-CD1 4.08Å; E229-I247 HydrophobicContact CG-CG1 4.04Å; I244-I247 HydrophobicContact CG2-CD1 4.23Å; I244-I247 HydrophobicContact CG2-CG1 3.72Å; I247-P254 HydrophobicContact CG2-CB 4.04Å; I247-F255 WeakPolarHBondContact CA-O 3.39Å; I247-Y256 HydrophobicContact CB-CD1 4.49Å; I247-Y256 HydrophobicContact CD1-CD1 4.19Å; I247-Y256 HydrophobicContact CD1-CE1 4.17Å; I247-Y256 HydrophobicContact CG1-CD1 3.99Å; I247-Y256 HydrophobicContact CG1-CE1 4.38Å; I247-Y256 HydrophobicContact CG2-CD1 3.93Å; I247-Y256 HydrophobicContact CG2-CE1 3.9Å; I247-I290 HydrophobicContact CD1-CD1 3.87Å
248F93.8Very high94Very high82 Ų8248.7 Ų48.736%0.3627%0.266SS..EExtended strand (participates in β ladder)trans-135.1171.8-178.770.6-97.9000112.8I217 F255 V257I217-F248 HydrophobicContact CD1-CZ 4.36Å; I217-F248 HydrophobicContact CG2-CE1 4.36Å; I217-F248 HydrophobicContact CG2-CZ 3.97Å; F248-F255 HydrophobicContact CD1-CB 4.25Å; F248-F255 HydrophobicContact CD2-CB 3.97Å; F248-F255 HydrophobicContact CD2-CD2 4.08Å; F248-F255 HydrophobicContact CD2-CG 4.32Å; F248-F255 HydrophobicContact CE1-CB 3.92Å; F248-F255 HydrophobicContact CE2-CB 3.61Å; F248-F255 AromaticContact CE2-CD2 3.77Å; F248-F255 HydrophobicContact CE2-CD2 3.77Å; F248-F255 AromaticContact CE2-CG 3.75Å; F248-F255 HydrophobicContact CE2-CG 3.75Å; F248-F255 HydrophobicContact CG-CB 4.28Å; F248-F255 HydrophobicContact CZ-CB 3.58Å; F248-F255 HydrophobicContact CZ-CG 4.04Å; F248-F255 PolarHBondContact N-O 2.84Å; F248-F255 PolarHBondContact O-N 2.77Å; F248-V257 HydrophobicContact CD1-CG2 3.8Å; F248-V257 HydrophobicContact CE1-CG2 3.51Å
249G93.9Very high94Very high51 Ų5146.1 Ų46.153%0.52626%0.256SS..SBendtrans90.3-170.1178.400000114.3
250P91Very high93.9Very high74 Ų7441.9 Ų41.948%0.48124%0.236SC..  trans-73142.2-173.730.1-35000111.9A252 H253 P254P250-A252 PolarHBondContact O-N 2.91Å; P250-H253 WeakPolarHBondContact CD-O 3.41Å; P250-H253 HydrophobicContact CG-CB 4.15Å; P250-H253 CarbonylContact O-C 3.57Å; P250-H253 PolarHBondContact O-N 3.11Å; P250-P254 VanDerWaalsContact O-N 3.07Å
251V86.9Confident93.8Very high112 Ų11244.9 Ų44.968%0.67925%0.252SS*.THydrogen-bonded Turntrans-56.5-24.6-178.7-1790000113.8T292V251-T292 HydrophobicContact CG1-CG2 3.89Å
252A86.9Confident93.6Very high74 Ų7446.8 Ų46.861%0.61227%0.265SS*.THydrogen-bonded Turntrans-79.6-26.6175.900000114P250P250-A252 PolarHBondContact O-N 2.91Å
253H91.1Very high93.5Very high91 Ų9149.2 Ų49.242%0.42128%0.28SS..SBendtrans-143.567.3-177.8-54.3-71.8000109.7P250P250-H253 WeakPolarHBondContact CD-O 3.41Å; P250-H253 HydrophobicContact CG-CB 4.15Å; P250-H253 CarbonylContact O-C 3.57Å; P250-H253 PolarHBondContact O-N 3.11Å
254P94.4Very high93.5Very high12 Ų1250.5 Ų50.58%0.07829%0.291CS..  trans-64.5154.6177.626.1-35.5000112.1S220 I247 P250 Y256S220-P254 WeakPolarHBondContact CB-O 3.4Å; S220-P254 PolarHBondContact N-O 3.33Å; S220-P254 VanDerWaalsContact N-O 3.1Å; S220-P254 WeakPolarHBondContact OG-CD 3.33Å; S220-P254 VanDerWaalsContact OG-N 3.15Å; S220-P254 PolarHBondContact OG-O 2.95Å; I247-P254 HydrophobicContact CG2-CB 4.04Å; P250-P254 VanDerWaalsContact O-N 3.07Å; P254-Y256 HydrophobicContact CB-CE1 4.42Å; P254-Y256 HydrophobicContact CG-CE1 4.4Å; P254-Y256 HydrophobicContact CG-CE2 4.26Å; P254-Y256 WeakPolarHBondContact CG-OH 3.33Å
255F96.1Very high93.3Very high51 Ų5151.4 Ų51.422%0.22430%0.295CS..EExtended strand (participates in β ladder)trans-106.8132.7166.2-63-90.4000108.6I217 I218 E219 I247 F248I217-F255 HydrophobicContact CG2-CB 4.2Å; I217-F255 HydrophobicContact CG2-CD1 4.06Å; I218-F255 CarbonylContact O-C 3.55Å; I218-F255 WeakPolarHBondContact O-CA 3.5Å; E219-F255 HydrophobicContact CB-CD1 3.94Å; E219-F255 HydrophobicContact CB-CE1 3.75Å; E219-F255 HydrophobicContact CG-CD1 4.27Å; E219-F255 HydrophobicContact CG-CE1 3.68Å; E219-F255 HydrophobicContact CG-CZ 4.32Å; I247-F255 WeakPolarHBondContact CA-O 3.39Å; F248-F255 HydrophobicContact CD1-CB 4.25Å; F248-F255 HydrophobicContact CD2-CB 3.97Å; F248-F255 HydrophobicContact CD2-CD2 4.08Å; F248-F255 HydrophobicContact CD2-CG 4.32Å; F248-F255 HydrophobicContact CE1-CB 3.92Å; F248-F255 HydrophobicContact CE2-CB 3.61Å; F248-F255 AromaticContact CE2-CD2 3.77Å; F248-F255 HydrophobicContact CE2-CD2 3.77Å; F248-F255 AromaticContact CE2-CG 3.75Å; F248-F255 HydrophobicContact CE2-CG 3.75Å; F248-F255 HydrophobicContact CG-CB 4.28Å; F248-F255 HydrophobicContact CZ-CB 3.58Å; F248-F255 HydrophobicContact CZ-CG 4.04Å; F248-F255 PolarHBondContact N-O 2.84Å; F248-F255 PolarHBondContact O-N 2.77Å
256Y96.9Very high93.2Very high2 Ų248.4 Ų48.41%0.00828%0.282CS..EExtended strand (participates in β ladder)trans-106.4130.4177.8-55.4-71.7000109.7L205 I218 V227 I244 I247 P254L205-Y256 HydrophobicContact CD1-CD2 4.3Å; L205-Y256 HydrophobicContact CD1-CE2 3.62Å; L205-Y256 HydrophobicContact CD2-CD2 3.7Å; L205-Y256 HydrophobicContact CD2-CE2 3.87Å; L205-Y256 HydrophobicContact CD2-CG 4.28Å; L205-Y256 HydrophobicContact CG-CD2 3.92Å; L205-Y256 HydrophobicContact CG-CE2 3.72Å; I218-Y256 PolarHBondContact N-O 3.49Å; I218-Y256 PolarHBondContact O-N 3.03Å; V227-Y256 HydrophobicContact CG2-CD1 4.22Å; V227-Y256 HydrophobicContact CG2-CE1 3.59Å; V227-Y256 HydrophobicContact CG2-CE2 4.39Å; V227-Y256 PolarHBondContact N-OH 2.9Å; I244-Y256 HydrophobicContact CD1-CD1 3.73Å; I244-Y256 HydrophobicContact CD1-CE1 4.32Å; I244-Y256 HydrophobicContact CD1-CG 4.17Å; I247-Y256 HydrophobicContact CB-CD1 4.49Å; I247-Y256 HydrophobicContact CD1-CD1 4.19Å; I247-Y256 HydrophobicContact CD1-CE1 4.17Å; I247-Y256 HydrophobicContact CG1-CD1 3.99Å; I247-Y256 HydrophobicContact CG1-CE1 4.38Å; I247-Y256 HydrophobicContact CG2-CD1 3.93Å; I247-Y256 HydrophobicContact CG2-CE1 3.9Å; P254-Y256 HydrophobicContact CB-CE1 4.42Å; P254-Y256 HydrophobicContact CG-CE1 4.4Å; P254-Y256 HydrophobicContact CG-CE2 4.26Å; P254-Y256 WeakPolarHBondContact CG-OH 3.33Å
257V96.9Very high93.2Very high4 Ų451 Ų512%0.02430%0.295CS..EExtended strand (participates in β ladder)trans-99.9132.5176.6-174.80000109.5L215 V216 I244 F245 E246 F248L215-V257 HydrophobicContact CB-CG1 4.04Å; L215-V257 HydrophobicContact CD1-CG1 4.11Å; L215-V257 HydrophobicContact CD2-CG1 3.96Å; L215-V257 HydrophobicContact CG-CG1 4.26Å; V216-V257 CarbonylContact O-C 3.57Å; V216-V257 WeakPolarHBondContact O-CA 3.46Å; I244-V257 CarbonylContact C-O 3.06Å; I244-V257 WeakPolarHBondContact CA-O 3.07Å; F245-V257 HydrophobicContact CD1-CG1 4.16Å; F245-V257 PolarHBondContact N-O 3.28Å; E246-V257 HydrophobicContact CB-CB 4.06Å; E246-V257 HydrophobicContact CB-CG2 4.1Å; E246-V257 PolarHBondContact O-N 3.16Å; F248-V257 HydrophobicContact CD1-CG2 3.8Å; F248-V257 HydrophobicContact CE1-CG2 3.51Å
258L95.9Very high93.1Very high0 Ų053.4 Ų53.40%032%0.315CS..EExtended strand (participates in β ladder)trans-105.4134162.2-56.5-178.3000108.8L215 V216 I218 I233 A241 K243 I244 F260L215-L258 CarbonylContact C-O 3.59Å; L215-L258 WeakPolarHBondContact CA-O 3.41Å; V216-L258 HydrophobicContact CB-CB 4.3Å; V216-L258 PolarHBondContact N-O 3.16Å; V216-L258 PolarHBondContact O-N 2.82Å; I218-L258 HydrophobicContact CD1-CD1 3.81Å; I218-L258 HydrophobicContact CD1-CG 3.93Å; I233-L258 HydrophobicContact CB-CD1 4.2Å; I233-L258 HydrophobicContact CB-CD2 4.13Å; I233-L258 HydrophobicContact CG1-CD2 3.76Å; I233-L258 HydrophobicContact CG2-CD1 4.28Å; A241-L258 HydrophobicContact CB-CD1 3.93Å; K243-L258 VanDerWaalsContact O-CD2 3.28Å; K243-L258 WeakPolarHBondContact O-CD2 3.28Å; I244-L258 HydrophobicContact CG1-CD2 4.28Å; L258-F260 HydrophobicContact CB-CD2 4.47Å; L258-F260 HydrophobicContact CB-CE2 3.64Å; L258-F260 HydrophobicContact CB-CZ 4.14Å; L258-F260 HydrophobicContact CD1-CE2 4.36Å; L258-F260 HydrophobicContact CD1-CZ 4.21Å
259R94.9Very high93Very high19 Ų1950.9 Ų50.97%0.07230%0.304CS..EExtended strand (participates in β ladder)trans-103.9132.5174.5-178.3174.5171.4-114.6-5110.6L183 L186 P187 V189 L215 F245L183-R259 PolarHBondContact O-NH2 2.89Å; L186-R259 PolarHBondContact O-NH2 2.9Å; P187-R259 PolarHBondContact O-NH1 3.49Å; P187-R259 PolarHBondContact O-NH2 2.84Å; V189-R259 HydrophobicContact CG2-CB 4.15Å; V189-R259 HydrophobicContact CG2-CG 3.81Å; L215-R259 HydrophobicContact CD2-CB 3.68Å; L215-R259 HydrophobicContact CD2-CG 3.75Å; F245-R259 HydrophobicContact CB-CB 3.73Å; F245-R259 HydrophobicContact CD1-CB 4.15Å; F245-R259 HydrophobicContact CD2-CB 3.96Å; F245-R259 HydrophobicContact CG-CB 3.66Å
260F94.1Very high93Very high6 Ų649.8 Ų49.83%0.02629%0.292CS..  trans-115.5172.8174.7-64.8-85.5000110.4Q214 V216 A241 L258 H265 I266 K269 I271Q214-F260 PolarHBondContact O-N 3.36Å; Q214-F260 PolarHBondContact OE1-O 3.02Å; V216-F260 HydrophobicContact CB-CE2 4.1Å; V216-F260 HydrophobicContact CG2-CD2 3.91Å; V216-F260 HydrophobicContact CG2-CE2 3.5Å; A241-F260 WeakPolarHBondContact O-CE1 3.28Å; L258-F260 HydrophobicContact CB-CD2 4.47Å; L258-F260 HydrophobicContact CB-CE2 3.64Å; L258-F260 HydrophobicContact CB-CZ 4.14Å; L258-F260 HydrophobicContact CD1-CE2 4.36Å; L258-F260 HydrophobicContact CD1-CZ 4.21Å; F260-H265 HydrophobicContact CB-CB 4.3Å; F260-H265 AromaticContact CD1-ND1 3.83Å; F260-I266 HydrophobicContact CB-CG1 3.98Å; F260-I266 HydrophobicContact CD2-CD1 4.08Å; F260-I266 HydrophobicContact CD2-CG1 3.6Å; F260-I266 HydrophobicContact CE2-CG1 4.26Å; F260-I266 HydrophobicContact CG-CG1 3.77Å; F260-K269 HydrophobicContact CD1-CD 4.18Å; F260-K269 HydrophobicContact CE1-CD 3.52Å; F260-K269 HydrophobicContact CZ-CD 4.42Å; F260-I271 HydrophobicContact CE1-CD1 4.28Å; F260-I271 HydrophobicContact CE2-CD1 4.25Å; F260-I271 HydrophobicContact CZ-CD1 3.61Å
261N92.3Very high93.1Very high67 Ų6746.6 Ų46.636%0.35827%0.271SS..SBendtrans-88.3-16.3179.2-66.7-46.4000114S188 V189S188-N261 VanDerWaalsContact CA-OD1 3.28Å; S188-N261 WeakPolarHBondContact CA-OD1 3.27Å; S188-N261 WeakPolarHBondContact CB-OD1 3.41Å; V189-N261 PolarHBondContact N-OD1 3.21Å; V189-N261 PolarHBondContact O-ND2 2.82Å
262S91.6Very high93.5Very high40 Ų4048.2 Ų48.228%0.2827%0.269SS..  trans-160.8158.1176.2179.20000108.8D264 H265S262-D264 PolarHBondContact O-N 2.78Å; S262-D264 PolarHBondContact OG-N 2.86Å; S262-D264 PolarHBondContact OG-OD2 2.81Å; S262-H265 WeakPolarHBondContact O-CB 3.32Å; S262-H265 PolarHBondContact O-N 3.38Å
263S92.4Very high94Very high59 Ų5949.4 Ų49.441%0.41326%0.264SS..Hα-helixtrans-55.8-37.116548.80000112.1H265 I266 E267S263-H265 PolarHBondContact O-N 3.19Å; S263-H265 VanDerWaalsContact O-N 3.16Å; S263-I266 VanDerWaalsContact O-CB 3.27Å; S263-I266 WeakPolarHBondContact O-CB 3.17Å; S263-I266 PolarHBondContact O-N 2.87Å; S263-E267 PolarHBondContact O-N 3.44Å
264D93.4Very high94.2Very high107 Ų10752.9 Ų52.957%0.57228%0.278SS*.Hα-helixtrans-63.5-25.2-179.4-41.9-48.7000112.1S262 S268S262-D264 PolarHBondContact O-N 2.78Å; S262-D264 PolarHBondContact OG-N 2.86Å; S262-D264 PolarHBondContact OG-OD2 2.81Å; D264-S268 WeakPolarHBondContact O-CB 3.44Å; D264-S268 PolarHBondContact O-N 3.02Å; D264-S268 PolarHBondContact O-OG 3.25Å
265H92.7Very high94.3Very high25 Ų2553.9 Ų53.912%0.11628%0.281CS..Hα-helixtrans-74.5-29.5177.1-164-169.9000112.3E191 F260 S262 S263 S268 K269E191-H265 IonicContact OE1-CD2 2.81Å; E191-H265 IonicContact OE1-CE1 2.77Å; E191-H265 IonicContact OE1-NE2 2.73Å; E191-H265 PolarHBondContact OE1-NE2 2.78Å; E191-H265 IonicContact OE2-NE2 3.73Å; F260-H265 HydrophobicContact CB-CB 4.3Å; F260-H265 AromaticContact CD1-ND1 3.83Å; S262-H265 WeakPolarHBondContact O-CB 3.32Å; S262-H265 PolarHBondContact O-N 3.38Å; S263-H265 PolarHBondContact O-N 3.19Å; S263-H265 VanDerWaalsContact O-N 3.16Å; H265-S268 WeakPolarHBondContact CA-OG 3.3Å; H265-S268 PolarHBondContact O-OG 3.1Å; H265-K269 WeakPolarHBondContact O-CB 3.33Å; H265-K269 PolarHBondContact O-N 2.89Å; H265-K269 VanDerWaalsContact O-N 3.16Å
266I93.8Very high94.3Very high5 Ų553.2 Ų53.23%0.02628%0.282CS..Hα-helixtrans-69.1-45.1173.5-51.7175.6000108.9I211 V216 F260 S263 G270 I271I211-I266 HydrophobicContact CD1-CG2 4.12Å; I211-I266 HydrophobicContact CG2-CD1 3.72Å; I211-I266 HydrophobicContact CG2-CG2 4.35Å; V216-I266 HydrophobicContact CG2-CB 4.47Å; V216-I266 HydrophobicContact CG2-CD1 3.8Å; V216-I266 HydrophobicContact CG2-CG1 4.07Å; V216-I266 HydrophobicContact CG2-CG2 3.58Å; F260-I266 HydrophobicContact CB-CG1 3.98Å; F260-I266 HydrophobicContact CD2-CD1 4.08Å; F260-I266 HydrophobicContact CD2-CG1 3.6Å; F260-I266 HydrophobicContact CE2-CG1 4.26Å; F260-I266 HydrophobicContact CG-CG1 3.77Å; S263-I266 VanDerWaalsContact O-CB 3.27Å; S263-I266 WeakPolarHBondContact O-CB 3.17Å; S263-I266 PolarHBondContact O-N 2.87Å; I266-G270 PolarHBondContact O-N 2.85Å; I266-I271 HydrophobicContact CG2-CB 3.79Å; I266-I271 HydrophobicContact CG2-CG2 4Å; I266-I271 PolarHBondContact O-N 3.26Å
267E93.8Very high94.3Very high150 Ų15053.1 Ų53.170%0.70128%0.281SS*.Hα-helixtrans-66-40.3176.6-63.5-165.3176.500112.7S263 G270S263-E267 PolarHBondContact O-N 3.44Å; E267-G270 VanDerWaalsContact O-CA 3.25Å; E267-G270 WeakPolarHBondContact O-CA 3.34Å; E267-G270 PolarHBondContact O-N 3.04Å
268S92.8Very high94.3Very high91 Ų9155.9 Ų55.964%0.63629%0.291SS*.Hα-helixtrans-70.4-32.5179.872.30000113.4D264 H265 G270D264-S268 WeakPolarHBondContact O-CB 3.44Å; D264-S268 PolarHBondContact O-N 3.02Å; D264-S268 PolarHBondContact O-OG 3.25Å; H265-S268 WeakPolarHBondContact CA-OG 3.3Å; H265-S268 PolarHBondContact O-OG 3.1Å; S268-G270 PolarHBondContact O-N 3.15Å
269K91.3Very high94.3Very high29 Ų2956 Ų5613%0.12629%0.292CS..THydrogen-bonded Turntrans-71.9-9165.9-76.1172.4171.5-76.50112.9L192 K235 A240 A241 F260 H265 I271L192-K269 PolarHBondContact O-NZ 3.5Å; K235-K269 WeakPolarHBondContact CD-O 3.41Å; K235-K269 VanDerWaalsContact CE-O 3.3Å; K235-K269 WeakPolarHBondContact CE-O 3.5Å; K235-K269 PolarHBondContact NZ-O 2.99Å; A240-K269 PolarHBondContact O-NZ 2.83Å; A241-K269 WeakPolarHBondContact O-CD 3.49Å; A241-K269 VanDerWaalsContact O-CE 3.27Å; A241-K269 WeakPolarHBondContact O-CE 3.34Å; A241-K269 PolarHBondContact O-NZ 3.49Å; A241-K269 VanDerWaalsContact O-NZ 3.12Å; F260-K269 HydrophobicContact CD1-CD 4.18Å; F260-K269 HydrophobicContact CE1-CD 3.52Å; F260-K269 HydrophobicContact CZ-CD 4.42Å; H265-K269 WeakPolarHBondContact O-CB 3.33Å; H265-K269 PolarHBondContact O-N 2.89Å; H265-K269 VanDerWaalsContact O-N 3.16Å; K269-I271 VanDerWaalsContact C-N 3.34Å; K269-I271 HydrophobicContact CB-CD1 4.04Å; K269-I271 HydrophobicContact CB-CG1 4.1Å
270G92.9Very high94.3Very high27 Ų2755 Ų5528%0.27829%0.288SS..THydrogen-bonded Turntrans7421.8176.500000114.1I266 E267 S268I266-G270 PolarHBondContact O-N 2.85Å; E267-G270 VanDerWaalsContact O-CA 3.25Å; E267-G270 WeakPolarHBondContact O-CA 3.34Å; E267-G270 PolarHBondContact O-N 3.04Å; S268-G270 PolarHBondContact O-N 3.15Å
271I95.1Very high94.2Very high7 Ų756 Ų564%0.03630%0.295CS..  trans-76.3127.6-175.6-65.1170.6000110.1V208 V216 K235 A241 F260 I266 K269 E275 M277V208-I271 HydrophobicContact CG2-CG2 4.13Å; V216-I271 HydrophobicContact CG1-CG2 3.99Å; V216-I271 HydrophobicContact CG2-CG2 4.19Å; K235-I271 HydrophobicContact CD-CG1 4.43Å; A241-I271 HydrophobicContact CB-CD1 3.93Å; F260-I271 HydrophobicContact CE1-CD1 4.28Å; F260-I271 HydrophobicContact CE2-CD1 4.25Å; F260-I271 HydrophobicContact CZ-CD1 3.61Å; I266-I271 HydrophobicContact CG2-CB 3.79Å; I266-I271 HydrophobicContact CG2-CG2 4Å; I266-I271 PolarHBondContact O-N 3.26Å; K269-I271 VanDerWaalsContact C-N 3.34Å; K269-I271 HydrophobicContact CB-CD1 4.04Å; K269-I271 HydrophobicContact CB-CG1 4.1Å; I271-E275 VanDerWaalsContact CA-OE2 3.27Å; I271-E275 WeakPolarHBondContact CA-OE2 3.4Å; I271-M277 HydrophobicContact CB-CE 4.31Å; I271-M277 HydrophobicContact CG1-CE 4.03Å; I271-M277 HydrophobicContact CG2-CE 3.66Å
272K95.4Very high94.1Very high147 Ų14756.5 Ų56.564%0.63930%0.304SS*.  trans-129.9153.9-177-65.6175.9-173.8174.10113V208 K274 E275V208-K272 WeakPolarHBondContact CB-O 3.49Å; K272-K274 PolarHBondContact O-N 2.77Å; K272-E275 PolarHBondContact N-OE2 3.22Å; K272-E275 WeakPolarHBondContact O-CB 3.46Å; K272-E275 PolarHBondContact O-N 2.79Å
273I96.2Very high94Very high98 Ų9857.4 Ų57.450%0.50331%0.305SS..THydrogen-bonded Turntrans-59138.9170.8-50.7177.1000109I211 E275I211-I273 HydrophobicContact CD1-CG1 3.98Å; I211-I273 HydrophobicContact CG1-CG1 4.11Å; I273-E275 VanDerWaalsContact C-N 3.27Å; I273-E275 PolarHBondContact O-N 3.2Å
274K95.9Very high93.9Very high164 Ų16463.5 Ų63.571%0.71332%0.324SS*.THydrogen-bonded Turntrans70.36.5-171-49.7-172.6-179.3179.90116.4M207 V208 K272M207-K274 HydrophobicContact SD-CB 3.98Å; M207-K274 HydrophobicContact SD-CG 4.38Å; V208-K274 PolarHBondContact O-N 3.05Å; K272-K274 PolarHBondContact O-N 2.77Å
275E95.9Very high93.7Very high34 Ų3465.4 Ų65.416%0.15933%0.334CS..PPolyproline II helixtrans-72.5139170.1-169.8174.4168.700110.8M207 V208 K235 I271 K272 I273 M277M207-E275 CarbonylContact C-O 3.59Å; M207-E275 WeakPolarHBondContact CA-O 3.49Å; V208-E275 HydrophobicContact CG2-CB 4.36Å; V208-E275 PolarHBondContact N-O 2.83Å; K235-E275 WeakPolarHBondContact CE-OE1 3.43Å; K235-E275 IonicContact NZ-OE1 2.75Å; I271-E275 VanDerWaalsContact CA-OE2 3.27Å; I271-E275 WeakPolarHBondContact CA-OE2 3.4Å; K272-E275 PolarHBondContact N-OE2 3.22Å; K272-E275 WeakPolarHBondContact O-CB 3.46Å; K272-E275 PolarHBondContact O-N 2.79Å; I273-E275 VanDerWaalsContact C-N 3.27Å; I273-E275 PolarHBondContact O-N 3.2Å; E275-M277 HydrophobicContact CB-CE 4.18Å; E275-M277 HydrophobicContact CG-CE 3.97Å
276T96.8Very high93.5Very high37 Ų3766.3 Ų66.323%0.22734%0.338CS..EExtended strand (participates in β ladder)trans-84.4127.2175.3-59.50000109.6P204 G206 M221 Y278P204-T276 HydrophobicContact CB-CG2 3.96Å; G206-T276 WeakPolarHBondContact O-CA 3.32Å; M221-T276 HydrophobicContact CE-CG2 3.82Å; T276-Y278 HydrophobicContact CG2-CE1 4.31Å; T276-Y278 HydrophobicContact CG2-CE2 3.95Å; T276-Y278 WeakPolarHBondContact O-CD2 3.42Å; T276-Y278 WeakPolarHBondContact O-CE2 3.29Å
277M96.8Very high93.5Very high0 Ų066.5 Ų66.50%034%0.339CS..EExtended strand (participates in β ladder)trans-103.3150.1178.3-67.5-63.2165.300110.5L205 G206 V208 I218 I233 K235 I271 E275L205-M277 PolarHBondContact N-O 3.17Å; G206-M277 PolarHBondContact N-O 2.84Å; G206-M277 PolarHBondContact O-N 2.85Å; V208-M277 HydrophobicContact CG2-CE 3.52Å; V208-M277 HydrophobicContact CG2-CG 3.91Å; I218-M277 HydrophobicContact CD1-CB 3.99Å; I218-M277 HydrophobicContact CD1-CG 3.79Å; I218-M277 HydrophobicContact CG1-CG 4.14Å; I218-M277 HydrophobicContact CG2-CB 4.24Å; I233-M277 HydrophobicContact CG2-CB 3.8Å; I233-M277 HydrophobicContact CG2-CG 4.3Å; I233-M277 HydrophobicContact CG2-SD 4.32Å; K235-M277 HydrophobicContact CG-SD 4.46Å; I271-M277 HydrophobicContact CB-CE 4.31Å; I271-M277 HydrophobicContact CG1-CE 4.03Å; I271-M277 HydrophobicContact CG2-CE 3.66Å; E275-M277 HydrophobicContact CB-CE 4.18Å; E275-M277 HydrophobicContact CG-CE 3.97Å
278Y96.1Very high93.5Very high61 Ų6163.8 Ų63.824%0.23933%0.326CS..EExtended strand (participates in β ladder)trans-126.3161.2-171.3-59.7-98000111.6L202 K203 P204 F234 T276L202-Y278 HydrophobicContact CB-CD1 4.17Å; L202-Y278 HydrophobicContact CB-CG 4.42Å; K203-Y278 CarbonylContact O-C 3.4Å; K203-Y278 WeakPolarHBondContact O-CA 3.42Å; K203-Y278 WeakPolarHBondContact O-CB 3.35Å; P204-Y278 HydrophobicContact CB-CD1 4.2Å; P204-Y278 HydrophobicContact CB-CE1 4.05Å; F234-Y278 PolarHBondContact N-O 2.85Å; F234-Y278 WeakPolarHBondContact O-CA 3.28Å; F234-Y278 PolarHBondContact O-N 3.03Å; T276-Y278 HydrophobicContact CG2-CE1 4.31Å; T276-Y278 HydrophobicContact CG2-CE2 3.95Å; T276-Y278 WeakPolarHBondContact O-CD2 3.42Å; T276-Y278 WeakPolarHBondContact O-CE2 3.29Å
279F95.6Very high93.4Very high2 Ų262.8 Ų62.81%0.00931%0.309CS..EExtended strand (participates in β ladder)trans-134.4168.2171.572.4-72.5000110L202 K203 L205 L224 V227 I233 P281 T287 Y289L202-F279 WeakPolarHBondContact CA-O 3.36Å; L202-F279 WeakPolarHBondContact CD2-O 3.47Å; K203-F279 HydrophobicContact CB-CD1 4.11Å; K203-F279 HydrophobicContact CB-CE1 3.59Å; K203-F279 HydrophobicContact CB-CZ 3.98Å; K203-F279 PolarHBondContact N-O 2.71Å; K203-F279 WeakPolarHBondContact O-CD1 2.92Å; K203-F279 PolarHBondContact O-N 3.03Å; L205-F279 HydrophobicContact CB-CD1 3.78Å; L205-F279 HydrophobicContact CB-CE1 4.43Å; L205-F279 HydrophobicContact CD1-CD1 3.94Å; L205-F279 HydrophobicContact CD1-CE1 4.15Å; L205-F279 HydrophobicContact CD1-CG 4.48Å; L205-F279 HydrophobicContact CG-CD1 4.41Å; L224-F279 HydrophobicContact CD2-CE1 4.25Å; L224-F279 HydrophobicContact CD2-CZ 4.41Å; V227-F279 HydrophobicContact CG1-CD2 4.19Å; V227-F279 HydrophobicContact CG1-CE2 4.25Å; I233-F279 HydrophobicContact CD1-CB 4.44Å; F279-P281 VanDerWaalsContact C-CD 3.45Å; F279-P281 HydrophobicContact CD2-CG 4.09Å; F279-P281 HydrophobicContact CE2-CB 4.26Å; F279-P281 HydrophobicContact CE2-CG 3.68Å; F279-P281 HydrophobicContact CZ-CG 4.06Å; F279-P281 WeakPolarHBondContact O-CD 3.5Å; F279-T287 HydrophobicContact CD2-CG2 3.73Å; F279-T287 HydrophobicContact CE2-CG2 4.12Å; F279-Y289 HydrophobicContact CE2-CE1 4.03Å
280A94.9Very high93.3Very high0 Ų063.4 Ų63.40%031%0.313CS..  trans-114.277-172.500000112.4L196 I200 L202 F234 S282 M283 T287L196-A280 HydrophobicContact CD1-CB 4.38Å; L196-A280 HydrophobicContact CD2-CB 3.76Å; I200-A280 HydrophobicContact CG2-CB 4.25Å; L202-A280 HydrophobicContact CD2-CB 4.33Å; F234-A280 HydrophobicContact CD2-CB 4.31Å; F234-A280 HydrophobicContact CE2-CB 3.91Å; A280-S282 PolarHBondContact O-N 3.16Å; A280-M283 HydrophobicContact CB-CB 4.48Å; A280-M283 PolarHBondContact O-N 2.75Å; A280-T287 PolarHBondContact O-OG1 3.45Å
281P92.1Very high93Very high25 Ų2568.1 Ų68.116%0.16233%0.326CS..THydrogen-bonded Turntrans-50.2-33.9-174.8-21.719.7000115.7K203 F279 M283 Y289K203-P281 HydrophobicContact CB-CG 3.89Å; K203-P281 HydrophobicContact CD-CG 3.53Å; K203-P281 HydrophobicContact CG-CG 3.66Å; F279-P281 VanDerWaalsContact C-CD 3.45Å; F279-P281 HydrophobicContact CD2-CG 4.09Å; F279-P281 HydrophobicContact CE2-CB 4.26Å; F279-P281 HydrophobicContact CE2-CG 3.68Å; F279-P281 HydrophobicContact CZ-CG 4.06Å; F279-P281 WeakPolarHBondContact O-CD 3.5Å; P281-M283 VanDerWaalsContact C-N 3.31Å; P281-M283 PolarHBondContact O-N 3Å; P281-Y289 WeakPolarHBondContact CB-OH 3.23Å
282S90.3Very high92.4Very high79 Ų7970.4 Ų70.455%0.55234%0.34SS*.THydrogen-bonded Turntrans-74.9-19.8-175.8-55.30000113.2A280A280-S282 PolarHBondContact O-N 3.16Å
283M90.7Very high91.9Very high59 Ų5970.3 Ų70.329%0.29134%0.342SS..  trans-103.3107.3-179.4-78.7-173.5151.800111.2L196 I200 A280 P281 D285 F286 T287L196-M283 HydrophobicContact CD1-SD 3.62Å; I200-M283 HydrophobicContact CD1-CE 3.35Å; I200-M283 HydrophobicContact CD1-CG 4.46Å; I200-M283 HydrophobicContact CD1-SD 3.58Å; I200-M283 VanDerWaalsContact CD1-SD 3.58Å; I200-M283 HydrophobicContact CG1-CE 4.14Å; I200-M283 HydrophobicContact CG1-SD 4.3Å; A280-M283 HydrophobicContact CB-CB 4.48Å; A280-M283 PolarHBondContact O-N 2.75Å; P281-M283 VanDerWaalsContact C-N 3.31Å; P281-M283 PolarHBondContact O-N 3Å; M283-D285 PolarHBondContact O-N 2.88Å; M283-F286 HydrophobicContact CB-CB 4.34Å; M283-F286 HydrophobicContact CB-CD2 3.88Å; M283-F286 HydrophobicContact CB-CG 4.47Å; M283-F286 HydrophobicContact CE-CE2 4.49Å; M283-F286 HydrophobicContact CG-CD2 4.32Å; M283-F286 PolarHBondContact O-N 3.01Å; M283-F286 HydrophobicContact SD-CD2 3.44Å; M283-F286 WeakPolarHBondContact SD-CD2 3.13Å; M283-F286 HydrophobicContact SD-CE2 3.45Å; M283-F286 WeakPolarHBondContact SD-CE2 3.46Å; M283-T287 PolarHBondContact O-N 2.77Å
284K89.1Confident91.3Very high186 Ų18671.6 Ų71.681%0.80934%0.344SS*.THydrogen-bonded Turntrans-66.8-25.4178.6-63177.9-177.7175.50113.3F286K284-F286 VanDerWaalsContact C-N 3.26Å; K284-F286 PolarHBondContact O-N 3.19Å
285D88.8Confident90.6Very high148 Ų14868.8 Ų68.879%0.79134%0.336SS*.THydrogen-bonded Turntrans-75.7-18.2179.2-49.1-39000111.9M283M283-D285 PolarHBondContact O-N 2.88Å
286F89.8Confident89.8Confident44 Ų4475.5 Ų75.519%0.19337%0.365CS..THydrogen-bonded Turntrans-114.7-17.9178.4-59.7-38.3000114.2I194 L196 T231 V232 F234 M283 K284I194-F286 HydrophobicContact CD1-CE1 3.8Å; I194-F286 HydrophobicContact CD1-CZ 4.16Å; I194-F286 HydrophobicContact CG2-CE2 4.36Å; I194-F286 HydrophobicContact CG2-CZ 4.01Å; L196-F286 HydrophobicContact CD1-CD2 4.06Å; L196-F286 HydrophobicContact CD1-CE2 4.04Å; T231-F286 CarbonylContact C-O 3.59Å; T231-F286 VanDerWaalsContact CA-O 3.3Å; T231-F286 WeakPolarHBondContact CA-O 3.25Å; T231-F286 WeakPolarHBondContact CG2-O 3.49Å; V232-F286 HydrophobicContact CB-CB 4.27Å; V232-F286 HydrophobicContact CG2-CD1 4.1Å; V232-F286 PolarHBondContact N-O 3.45Å; F234-F286 HydrophobicContact CE2-CB 4.29Å; F234-F286 HydrophobicContact CZ-CB 4.36Å; F234-F286 AromaticContact CZ-CD2 3.98Å; F234-F286 HydrophobicContact CZ-CD2 3.98Å; F234-F286 HydrophobicContact CZ-CG 4.16Å; M283-F286 HydrophobicContact CB-CB 4.34Å; M283-F286 HydrophobicContact CB-CD2 3.88Å; M283-F286 HydrophobicContact CB-CG 4.47Å; M283-F286 HydrophobicContact CE-CE2 4.49Å; M283-F286 HydrophobicContact CG-CD2 4.32Å; M283-F286 PolarHBondContact O-N 3.01Å; M283-F286 HydrophobicContact SD-CD2 3.44Å; M283-F286 WeakPolarHBondContact SD-CD2 3.13Å; M283-F286 HydrophobicContact SD-CE2 3.45Å; M283-F286 WeakPolarHBondContact SD-CE2 3.46Å; K284-F286 VanDerWaalsContact C-N 3.26Å; K284-F286 PolarHBondContact O-N 3.19Å
287T93.8Very high89.1Confident8 Ų880.8 Ų80.85%0.04939%0.387CS..  trans-126.8119.7179.3-55.70000111.2V227 T231 F279 A280 M283 Y289V227-T287 HydrophobicContact CG1-CG2 4Å; T231-T287 HydrophobicContact CG2-CG2 4.33Å; F279-T287 HydrophobicContact CD2-CG2 3.73Å; F279-T287 HydrophobicContact CE2-CG2 4.12Å; A280-T287 PolarHBondContact O-OG1 3.45Å; M283-T287 PolarHBondContact O-N 2.77Å; T287-Y289 HydrophobicContact CG2-CD1 4.44Å; T287-Y289 HydrophobicContact CG2-CE1 3.83Å; T287-Y289 HydrophobicContact CG2-CE2 3.98Å
288Q92.4Very high88.1Confident94 Ų9486.3 Ų86.344%0.43942%0.417SS..  trans-119.3133.6172.5-170.9175.1103.800109.8V227 N228 E230 T231V227-Q288 CarbonylContact C-O 3.58Å; V227-Q288 WeakPolarHBondContact CA-O 2.96Å; N228-Q288 HydrophobicContact CB-CB 4.21Å; N228-Q288 HydrophobicContact CB-CG 4.23Å; N228-Q288 PolarHBondContact N-O 3.46Å; N228-Q288 PolarHBondContact ND2-OE1 2.84Å; E230-Q288 HydrophobicContact CB-CB 4.41Å; T231-Q288 PolarHBondContact OG1-N 3.02Å; T231-Q288 VanDerWaalsContact OG1-N 3.11Å; T231-Q288 PolarHBondContact OG1-O 2.78Å
289Y91.6Very high86.8Confident70 Ų7093.3 Ų93.328%0.27545%0.448SS..BIsolated β-bridgetrans-100.5143.9-177.3-63-72000112.9P225 V227 F279 P281 T287P225-Y289 HydrophobicContact CB-CD1 3.96Å; P225-Y289 HydrophobicContact CB-CE1 4.2Å; P225-Y289 HydrophobicContact CG-CD1 3.88Å; P225-Y289 HydrophobicContact CG-CE1 3.59Å; V227-Y289 HydrophobicContact CG1-CD1 3.93Å; V227-Y289 HydrophobicContact CG1-CE1 3.9Å; F279-Y289 HydrophobicContact CE2-CE1 4.03Å; P281-Y289 WeakPolarHBondContact CB-OH 3.23Å; T287-Y289 HydrophobicContact CG2-CD1 4.44Å; T287-Y289 HydrophobicContact CG2-CE1 3.83Å; T287-Y289 HydrophobicContact CG2-CE2 3.98Å
290I88.8Confident85.4Confident41 Ų4196.7 Ų96.721%0.2148%0.484CS..  trans-84.6118.6172.4-61.2176.6000109.4P226 V227 N228 I247 T292 L295P226-I290 HydrophobicContact CB-CB 4.33Å; P226-I290 HydrophobicContact CG-CB 4.22Å; P226-I290 PolarHBondContact O-N 2.89Å; V227-I290 VanDerWaalsContact O-CD1 3.28Å; V227-I290 WeakPolarHBondContact O-CD1 3.44Å; N228-I290 HydrophobicContact CB-CD1 4.48Å; N228-I290 HydrophobicContact CB-CG1 3.83Å; I247-I290 HydrophobicContact CD1-CD1 3.87Å; I290-T292 HydrophobicContact CG2-CG2 4.44Å; I290-T292 PolarHBondContact O-N 3Å; I290-L295 HydrophobicContact CG2-CD1 3.47Å; I290-L295 VanDerWaalsContact CG2-CD1 3.47Å; I290-L295 HydrophobicContact CG2-CG 4.27Å
291F86.6Confident84.1Confident127 Ų12799.8 Ų99.856%0.55751%0.505SS*.  trans-88.892.8172.7-64.4-85.8000109.7E293 K294 L295F291-E293 PolarHBondContact O-N 2.63Å; F291-E293 VanDerWaalsContact O-N 3.07Å; F291-K294 HydrophobicContact CB-CB 4.48Å; F291-K294 HydrophobicContact CB-CD 3.93Å; F291-K294 HydrophobicContact CB-CG 3.92Å; F291-K294 WeakPolarHBondContact O-CB 3.34Å; F291-K294 PolarHBondContact O-N 3.47Å; F291-L295 PolarHBondContact O-N 2.58Å
292T82.6Confident82.8Confident54 Ų54106.2 Ų106.233%0.33154%0.539SS..Hα-helixtrans-58.3-23.5-176.159.30000114.1P226 V251 I290 K294 L295 K296P226-T292 HydrophobicContact CG-CG2 4.15Å; V251-T292 HydrophobicContact CG1-CG2 3.89Å; I290-T292 HydrophobicContact CG2-CG2 4.44Å; I290-T292 PolarHBondContact O-N 3Å; T292-K294 VanDerWaalsContact C-N 3.35Å; T292-L295 PolarHBondContact O-N 2.91Å; T292-K296 WeakPolarHBondContact O-CG 3.47Å; T292-K296 PolarHBondContact O-N 2.77Å
293E84.8Confident81.4Confident145 Ų145104.9 Ų104.968%0.67853%0.532SS*.Hα-helixtrans-67-32.2172.6-173.8170.5-157.700113.1F291F291-E293 PolarHBondContact O-N 2.63Å; F291-E293 VanDerWaalsContact O-N 3.07Å
294K83.2Confident80.2Confident125 Ų125105.8 Ų105.854%0.54354%0.544SS..Hα-helixtrans-70.3-45.9174.1-60-175.9-175.61770110.7F291 T292 K296 Q297 D298F291-K294 HydrophobicContact CB-CB 4.48Å; F291-K294 HydrophobicContact CB-CD 3.93Å; F291-K294 HydrophobicContact CB-CG 3.92Å; F291-K294 WeakPolarHBondContact O-CB 3.34Å; F291-K294 PolarHBondContact O-N 3.47Å; T292-K294 VanDerWaalsContact C-N 3.35Å; K294-K296 PolarHBondContact O-N 2.87Å; K294-K296 VanDerWaalsContact O-N 3.1Å; K294-Q297 WeakPolarHBondContact O-CA 3.05Å; K294-Q297 WeakPolarHBondContact O-CB 3.29Å; K294-Q297 PolarHBondContact O-N 2.73Å; K294-D298 PolarHBondContact O-N 3.37Å
295L81.3Confident79.3Confident105 Ų105103.7 Ų103.755%0.5553%0.531SS..Hα-helixtrans-59.2-23.9176.7-62.2-178.1000113.6I290 F291 T292 Q297I290-L295 HydrophobicContact CG2-CD1 3.47Å; I290-L295 VanDerWaalsContact CG2-CD1 3.47Å; I290-L295 HydrophobicContact CG2-CG 4.27Å; F291-L295 PolarHBondContact O-N 2.58Å; T292-L295 PolarHBondContact O-N 2.91Å; L295-Q297 VanDerWaalsContact C-N 3.34Å
296K80.8Confident78.4Confident175 Ų175104.3 Ų104.376%0.76153%0.527SS*.THydrogen-bonded Turntrans-76.5-18.9173.2-73.2173.8-179179.20113.9T292 K294T292-K296 WeakPolarHBondContact O-CG 3.47Å; T292-K296 PolarHBondContact O-N 2.77Å; K294-K296 PolarHBondContact O-N 2.87Å; K294-K296 VanDerWaalsContact O-N 3.1Å
297Q80.4Confident77.5Confident148 Ų148106.3 Ų106.369%0.69254%0.54SS*.THydrogen-bonded Turntrans-87.6-33.7174.9-59.1176.914.400110.6K294 L295 K299K294-Q297 WeakPolarHBondContact O-CA 3.05Å; K294-Q297 WeakPolarHBondContact O-CB 3.29Å; K294-Q297 PolarHBondContact O-N 2.73Å; L295-Q297 VanDerWaalsContact C-N 3.34Å; Q297-K299 PolarHBondContact O-N 2.77Å
298D76Confident76.5Confident116 Ų116112 Ų11262%0.6257%0.57SS**SBendtrans-69.697173.5-64.2-36.7000110.3K294 G300K294-D298 PolarHBondContact O-N 3.37Å; D298-G300 PolarHBondContact O-N 3.06Å
299K68.9Low75.4Confident208 Ų208111.7 Ų111.790%0.90457%0.568SS**  trans-84.484.7-171.5-156.7164.1-177.7177.40110.4Q297Q297-K299 PolarHBondContact O-N 2.77Å
300G66.6Low74.4Confident73 Ų73115.5 Ų115.575%0.75359%0.589SS**  trans-60.1152.7172.800000112.7D298D298-G300 PolarHBondContact O-N 3.06Å
301S67.6Low73.5Confident65 Ų65114.3 Ų114.346%0.45558%0.584SS.*  trans-102.2116.1171.61760000108.5A303S301-A303 PolarHBondContact O-N 2.68Å
302D65.1Low72.8Confident161 Ų161110.6 Ų110.686%0.86157%0.572SS**  trans-81.46175.664-25.2000113.1S304D302-S304 VanDerWaalsContact C-N 3.33Å; D302-S304 PolarHBondContact O-N 2.8Å
303A61.6Low72.1Confident50 Ų50112.5 Ų112.541%0.41359%0.586SS.*  trans-74.278179.700000112.5S301 W305 P311S301-A303 PolarHBondContact O-N 2.68Å; A303-W305 PolarHBondContact O-N 3.32Å; A303-P311 WeakPolarHBondContact O-CD 3.42Å
304S64.9Low71Confident78 Ų78112.9 Ų112.955%0.54559%0.587SS.*  trans-51.2118.6162.4-72.30000110.3D302 D308D302-S304 VanDerWaalsContact C-N 3.33Å; D302-S304 PolarHBondContact O-N 2.8Å; S304-D308 WeakPolarHBondContact CB-OD1 3.1Å; S304-D308 PolarHBondContact OG-OD1 3.28Å
305W69.3Low70.1Confident142 Ų142109.3 Ų109.354%0.53858%0.581SS.*  trans-84.3-155169.9-153.744.7000109.5A303 N307 D308 Q309 P311 P312A303-W305 PolarHBondContact O-N 3.32Å; W305-N307 PolarHBondContact O-N 3Å; W305-D308 PolarHBondContact O-N 3.18Å; W305-Q309 WeakPolarHBondContact CA-O 3.2Å; W305-Q309 WeakPolarHBondContact CB-O 2.99Å; W305-Q309 PolarHBondContact N-O 2.69Å; W305-P311 HydrophobicContact CB-CB 4.2Å; W305-P311 HydrophobicContact CD2-CB 4.1Å; W305-P311 HydrophobicContact CG-CB 3.85Å; W305-P312 HydrophobicContact CH2-CG 3.66Å; W305-P312 HydrophobicContact CZ2-CG 4.21Å; W305-P312 HydrophobicContact CZ3-CG 3.92Å
306K70.6Confident69.5Low162 Ų162107.7 Ų107.770%0.70457%0.573SS**G310 helixtrans-67.5124.4173.5-176.516361.2-178.20109.8
307N70.9Confident68.6Low85 Ų85107.1 Ų107.146%0.45558%0.578SS.*G310 helixtrans66.438.1-178.3-51.4-6.1000114T177 W305 Q309T177-N307 HydrophobicContact CG2-CB 3.88Å; W305-N307 PolarHBondContact O-N 3Å; N307-Q309 PolarHBondContact O-N 2.86Å
308D72.4Confident67.8Low128 Ų128103.2 Ų103.268%0.68456%0.559SS**G310 helixtrans56.210.6177.5-63.1-56.8000116.1S304 W305S304-D308 WeakPolarHBondContact CB-OD1 3.1Å; S304-D308 PolarHBondContact OG-OD1 3.28Å; W305-D308 PolarHBondContact O-N 3.18Å
309Q69.9Low67.1Low87 Ų87104.2 Ų104.241%0.40758%0.575SS.*PPolyproline II helixtrans-72.7148.6169.1-68.9-64.3-30.700110.4W305 N307W305-Q309 WeakPolarHBondContact CA-O 3.2Å; W305-Q309 WeakPolarHBondContact CB-O 2.99Å; W305-Q309 PolarHBondContact N-O 2.69Å; N307-Q309 PolarHBondContact O-N 2.86Å
310E70.2Confident67.2Low150 Ų15098 Ų9870%0.70155%0.552SS**PPolyproline II helixtrans-64.6141.8171.5-71.1-166.2157.800110.7
311P70.6Confident67.1Low16 Ų16100.9 Ų100.910%0.10455%0.55CS..PPolyproline II helixtrans-63.6136.9173.426.3-32.7000109.8A303 W305 L316A303-P311 WeakPolarHBondContact O-CD 3.42Å; W305-P311 HydrophobicContact CB-CB 4.2Å; W305-P311 HydrophobicContact CD2-CB 4.1Å; W305-P311 HydrophobicContact CG-CB 3.85Å; P311-L316 HydrophobicContact CG-CD2 3.98Å; P311-L316 HydrophobicContact CG-CG 4.43Å
312P71.4Confident67.5Low49 Ų49105 Ų10532%0.31856%0.562SS.*PPolyproline II helixtrans-58.9152.4-178.624.3-34.7000110.3W305 E314 A315 L316W305-P312 HydrophobicContact CH2-CG 3.66Å; W305-P312 HydrophobicContact CZ2-CG 4.21Å; W305-P312 HydrophobicContact CZ3-CG 3.92Å; P312-E314 PolarHBondContact O-N 3.14Å; P312-A315 HydrophobicContact CG-CB 4.32Å; P312-A315 PolarHBondContact O-N 3.18Å; P312-L316 PolarHBondContact O-N 3.05Å
313P68Low67.9Low95 Ų95103.2 Ų103.262%0.61755%0.546SS*.THydrogen-bonded Turntrans-62.6-6.3-178.927.6-37000113.7K331P313-K331 WeakPolarHBondContact O-CE 3.47Å; P313-K331 PolarHBondContact O-NZ 3.43Å; P313-K331 VanDerWaalsContact O-NZ 3.11Å
314E61.3Low68.6Low152 Ų152104.1 Ų104.171%0.7154%0.542SS*.THydrogen-bonded Turntrans-74.6-34169.4-60.3-140.1143.400113.7P312 K331P312-E314 PolarHBondContact O-N 3.14Å; E314-K331 VanDerWaalsContact CA-NZ 3.31Å; E314-K331 PolarHBondContact O-NZ 3.42Å
315A63.7Low68.8Low50 Ų50107.5 Ų107.541%0.41355%0.547SS..THydrogen-bonded Turntrans-112.44.8-175.300000114.3P312 D317P312-A315 HydrophobicContact CG-CB 4.32Å; P312-A315 PolarHBondContact O-N 3.18Å; A315-D317 PolarHBondContact O-N 3.26Å
316L69.1Low69.1Low72 Ų72106.9 Ų106.938%0.37755%0.55SS.*  trans-62.5112.6164.3-87.8172.8000109.7P311 P312 F318P311-L316 HydrophobicContact CG-CD2 3.98Å; P311-L316 HydrophobicContact CG-CG 4.43Å; P312-L316 PolarHBondContact O-N 3.05Å; L316-F318 VanDerWaalsContact O-CD2 3.31Å; L316-F318 WeakPolarHBondContact O-CD2 3.25Å; L316-F318 VanDerWaalsContact O-CE2 3.25Å; L316-F318 WeakPolarHBondContact O-CE2 3.31Å
317D61.6Low69.1Low162 Ų162100.1 Ų100.187%0.86653%0.525SS*.  trans-74.3129.5170.5-79.7-31.8000110A315A315-D317 PolarHBondContact O-N 3.26Å
318F65.2Low69Low66 Ų66101.3 Ų101.329%0.28953%0.526SS..  trans-93.3117.5179.5-64.3-91.8000109.1L316 D320 K323 E324 A327L316-F318 VanDerWaalsContact O-CD2 3.31Å; L316-F318 WeakPolarHBondContact O-CD2 3.25Å; L316-F318 VanDerWaalsContact O-CE2 3.25Å; L316-F318 WeakPolarHBondContact O-CE2 3.31Å; F318-D320 PolarHBondContact O-N 3.23Å; F318-K323 HydrophobicContact CD1-CB 3.96Å; F318-K323 HydrophobicContact CD1-CD 4.04Å; F318-K323 HydrophobicContact CD1-CG 3.74Å; F318-K323 HydrophobicContact CE1-CD 4.38Å; F318-K323 HydrophobicContact CE1-CG 4.03Å; F318-E324 HydrophobicContact CB-CB 3.83Å; F318-E324 HydrophobicContact CB-CG 4.23Å; F318-E324 HydrophobicContact CD2-CB 4.34Å; F318-E324 HydrophobicContact CD2-CG 4.19Å; F318-E324 HydrophobicContact CG-CB 4.28Å; F318-A327 HydrophobicContact CD2-CB 4.38Å; F318-A327 HydrophobicContact CE1-CB 4.14Å; F318-A327 HydrophobicContact CE2-CB 3.55Å; F318-A327 HydrophobicContact CZ-CB 3.41Å; F318-A327 VanDerWaalsContact CZ-CB 3.41Å
319S60.6Low69Low138 Ų138101.4 Ų101.497%0.96552%0.522SS*.SBendtrans-70.46.7173.7-175.40000114
320D70.9Confident69.1Low78 Ų78106 Ų10642%0.41754%0.536SS..SBendtrans-138.7117.7-172.4175.51.5000108F318 E322 K323 E324F318-D320 PolarHBondContact O-N 3.23Å; D320-E322 VanDerWaalsContact C-N 3.28Å; D320-E322 PolarHBondContact O-N 3.06Å; D320-E322 PolarHBondContact OD1-N 2.79Å; D320-K323 HydrophobicContact CB-CB 4.22Å; D320-K323 PolarHBondContact O-N 3.18Å; D320-E324 PolarHBondContact O-N 3.39Å
321D65.2Low69.1Low132 Ų132101.7 Ų101.771%0.70652%0.515SS*.Hα-helixtrans-71.5-22.4-170.965.2-54.7000113K325D321-K325 PolarHBondContact O-N 3.37Å
322E74.8Confident69.3Low153 Ų153107.5 Ų107.572%0.71554%0.538SS*.Hα-helixtrans-68.4-48.1171.2-176.6163.8-152.200110.8D320 E324 K325 E326D320-E322 VanDerWaalsContact C-N 3.28Å; D320-E322 PolarHBondContact O-N 3.06Å; D320-E322 PolarHBondContact OD1-N 2.79Å; E322-E324 PolarHBondContact O-N 3.11Å; E322-K325 WeakPolarHBondContact O-CB 3.42Å; E322-K325 PolarHBondContact O-N 3.45Å; E322-E326 PolarHBondContact O-N 2.81Å; E322-E326 VanDerWaalsContact O-N 3.15Å
323K74.6Confident69.3Low122 Ų122108.3 Ų108.353%0.5355%0.545SS..Hα-helixtrans-68.9-35.1-177.9-154.6172.3-174.7179.30112.3F318 D320 K325 E326 A327F318-K323 HydrophobicContact CD1-CB 3.96Å; F318-K323 HydrophobicContact CD1-CD 4.04Å; F318-K323 HydrophobicContact CD1-CG 3.74Å; F318-K323 HydrophobicContact CE1-CD 4.38Å; F318-K323 HydrophobicContact CE1-CG 4.03Å; D320-K323 HydrophobicContact CB-CB 4.22Å; D320-K323 PolarHBondContact O-N 3.18Å; K323-K325 VanDerWaalsContact C-N 3.32Å; K323-K325 PolarHBondContact O-N 3.49Å; K323-E326 PolarHBondContact O-N 2.82Å; K323-A327 WeakPolarHBondContact O-CB 3.33Å; K323-A327 PolarHBondContact O-N 3.03Å
324E75Confident69.3Low69 Ų69109.7 Ų109.732%0.32254%0.543SS..Hα-helixtrans-58.3-44.2172.4-160.2-151.914900111.8F318 D320 E322 A327 K328F318-E324 HydrophobicContact CB-CB 3.83Å; F318-E324 HydrophobicContact CB-CG 4.23Å; F318-E324 HydrophobicContact CD2-CB 4.34Å; F318-E324 HydrophobicContact CD2-CG 4.19Å; F318-E324 HydrophobicContact CG-CB 4.28Å; D320-E324 PolarHBondContact O-N 3.39Å; E322-E324 PolarHBondContact O-N 3.11Å; E324-A327 PolarHBondContact O-N 2.94Å; E324-K328 HydrophobicContact CG-CD 4.45Å; E324-K328 WeakPolarHBondContact O-CB 3.5Å; E324-K328 WeakPolarHBondContact O-CG 3.47Å; E324-K328 PolarHBondContact O-N 3.23Å; E324-K328 WeakPolarHBondContact OE1-CE 3.47Å; E324-K328 IonicContact OE1-NZ 2.71Å; E324-K328 PolarHBondContact OE1-NZ 2.56Å
325K70.3Confident69.7Low150 Ų150107.1 Ų107.165%0.65253%0.534SS*.Hα-helixtrans-68-41.6-178.8-174.5-178.6176.4-173.10111.7D321 E322 K323 K328 Q329D321-K325 PolarHBondContact O-N 3.37Å; E322-K325 WeakPolarHBondContact O-CB 3.42Å; E322-K325 PolarHBondContact O-N 3.45Å; K323-K325 VanDerWaalsContact C-N 3.32Å; K323-K325 PolarHBondContact O-N 3.49Å; K325-K328 PolarHBondContact O-N 3.15Å; K325-Q329 WeakPolarHBondContact O-CB 3.39Å; K325-Q329 PolarHBondContact O-N 3.48Å
326E74.4Confident69.7Low128 Ų128111.2 Ų111.260%0.59854%0.544SS*.Hα-helixtrans-62.6-47.6174.9-166.5-169.517800111.2E322 K323 K328 Q329 R330E322-E326 PolarHBondContact O-N 2.81Å; E322-E326 VanDerWaalsContact O-N 3.15Å; K323-E326 PolarHBondContact O-N 2.82Å; E326-K328 PolarHBondContact O-N 3.27Å; E326-Q329 CarbonylContact O-C 3.6Å; E326-Q329 WeakPolarHBondContact O-CB 3.5Å; E326-Q329 PolarHBondContact O-N 2.99Å; E326-R330 WeakPolarHBondContact O-CB 3.11Å; E326-R330 PolarHBondContact O-N 3.06Å
327A70.9Confident69.3Low21 Ų21109.3 Ų109.317%0.17454%0.542CS..Hα-helixtrans-59.8-44.1177.200000112F318 K323 E324 Q329 R330 K331F318-A327 HydrophobicContact CD2-CB 4.38Å; F318-A327 HydrophobicContact CE1-CB 4.14Å; F318-A327 HydrophobicContact CE2-CB 3.55Å; F318-A327 HydrophobicContact CZ-CB 3.41Å; F318-A327 VanDerWaalsContact CZ-CB 3.41Å; K323-A327 WeakPolarHBondContact O-CB 3.33Å; K323-A327 PolarHBondContact O-N 3.03Å; E324-A327 PolarHBondContact O-N 2.94Å; A327-Q329 VanDerWaalsContact C-N 3.32Å; A327-Q329 PolarHBondContact O-N 2.88Å; A327-R330 PolarHBondContact O-N 3.43Å; A327-K331 WeakPolarHBondContact O-CG 3.33Å; A327-K331 PolarHBondContact O-N 3.26Å
328K70.2Confident69.2Low109 Ų109110.6 Ų110.647%0.47454%0.535SS..Hα-helixtrans-63.7-33.7173.4-78.4178.5172.2177.60112.5E324 K325 E326 K332E324-K328 HydrophobicContact CG-CD 4.45Å; E324-K328 WeakPolarHBondContact O-CB 3.5Å; E324-K328 WeakPolarHBondContact O-CG 3.47Å; E324-K328 PolarHBondContact O-N 3.23Å; E324-K328 WeakPolarHBondContact OE1-CE 3.47Å; E324-K328 IonicContact OE1-NZ 2.71Å; E324-K328 PolarHBondContact OE1-NZ 2.56Å; K325-K328 PolarHBondContact O-N 3.15Å; E326-K328 PolarHBondContact O-N 3.27Å; K328-K332 WeakPolarHBondContact O-CD 3.4Å; K328-K332 WeakPolarHBondContact O-CG 3.19Å; K328-K332 PolarHBondContact O-N 3.02Å
329Q71.4Confident68.9Low130 Ų130114.8 Ų114.861%0.60755%0.553SS**Hα-helixtrans-71.8-41.3175.6-176.6170.5-1400112.1K325 E326 A327 K332 S333K325-Q329 WeakPolarHBondContact O-CB 3.39Å; K325-Q329 PolarHBondContact O-N 3.48Å; E326-Q329 CarbonylContact O-C 3.6Å; E326-Q329 WeakPolarHBondContact O-CB 3.5Å; E326-Q329 PolarHBondContact O-N 2.99Å; A327-Q329 VanDerWaalsContact C-N 3.32Å; A327-Q329 PolarHBondContact O-N 2.88Å; Q329-K332 WeakPolarHBondContact O-CB 3.47Å; Q329-K332 PolarHBondContact O-N 2.95Å; Q329-S333 PolarHBondContact O-N 3.45Å; Q329-S333 PolarHBondContact O-OG 3.44Å
330R72.6Confident68.8Low184 Ų184115.6 Ų115.669%0.69454%0.539SS*.Hα-helixtrans-66.5-41.8177.8-169172.9178.6176.4-2.3112.5E326 A327 K332 S333 Q334E326-R330 WeakPolarHBondContact O-CB 3.11Å; E326-R330 PolarHBondContact O-N 3.06Å; A327-R330 PolarHBondContact O-N 3.43Å; R330-K332 PolarHBondContact O-N 3.06Å; R330-S333 PolarHBondContact O-N 3.24Å; R330-S333 PolarHBondContact O-OG 3.41Å; R330-S333 VanDerWaalsContact O-OG 3.07Å; R330-Q334 WeakPolarHBondContact O-CB 3.49Å; R330-Q334 PolarHBondContact O-N 3.38Å
331K69.8Low68Low60 Ų60118.1 Ų118.126%0.26155%0.552SS.*Hα-helixtrans-57.3-47.1170.2-72.1171.9-177.3165.50111P313 E314 A327 Q334 I335P313-K331 WeakPolarHBondContact O-CE 3.47Å; P313-K331 PolarHBondContact O-NZ 3.43Å; P313-K331 VanDerWaalsContact O-NZ 3.11Å; E314-K331 VanDerWaalsContact CA-NZ 3.31Å; E314-K331 PolarHBondContact O-NZ 3.42Å; A327-K331 WeakPolarHBondContact O-CG 3.33Å; A327-K331 PolarHBondContact O-N 3.26Å; K331-Q334 PolarHBondContact O-N 3Å; K331-I335 WeakPolarHBondContact O-CD1 3.43Å; K331-I335 VanDerWaalsContact O-CG1 3.29Å; K331-I335 WeakPolarHBondContact O-CG1 3.29Å; K331-I335 PolarHBondContact O-N 2.83Å; K331-I335 VanDerWaalsContact O-N 3.16Å
332K73.6Confident67.3Low137 Ų137120.5 Ų120.560%0.59656%0.556SS**Hα-helixtrans-61.9-44178.7-74.2167.4-174.5176.10113.2K328 Q329 R330 Q336K328-K332 WeakPolarHBondContact O-CD 3.4Å; K328-K332 WeakPolarHBondContact O-CG 3.19Å; K328-K332 PolarHBondContact O-N 3.02Å; Q329-K332 WeakPolarHBondContact O-CB 3.47Å; Q329-K332 PolarHBondContact O-N 2.95Å; R330-K332 PolarHBondContact O-N 3.06Å; K332-Q336 WeakPolarHBondContact O-CG 3.43Å; K332-Q336 PolarHBondContact O-N 3.07Å
333S72.2Confident66.2Low67 Ų67117.8 Ų117.847%0.46955%0.554SS.*Hα-helixtrans-69.5-37.9-18062.60000112.4Q329 R330 I335 Q336 G337Q329-S333 PolarHBondContact O-N 3.45Å; Q329-S333 PolarHBondContact O-OG 3.44Å; R330-S333 PolarHBondContact O-N 3.24Å; R330-S333 PolarHBondContact O-OG 3.41Å; R330-S333 VanDerWaalsContact O-OG 3.07Å; S333-I335 PolarHBondContact O-N 3.48Å; S333-Q336 PolarHBondContact O-N 3.43Å; S333-G337 PolarHBondContact O-N 3.48Å
334Q68.3Low65.1Low123 Ų123120 Ų12058%0.57557%0.566SS**Hα-helixtrans-63.7-40.8176.6-165.6177.920.600112.3R330 K331 Q336 G337 R338R330-Q334 WeakPolarHBondContact O-CB 3.49Å; R330-Q334 PolarHBondContact O-N 3.38Å; K331-Q334 PolarHBondContact O-N 3Å; Q334-Q336 VanDerWaalsContact C-N 3.34Å; Q334-Q336 PolarHBondContact O-N 3.27Å; Q334-G337 PolarHBondContact O-N 3.16Å; Q334-R338 WeakPolarHBondContact O-CG 3.5Å; Q334-R338 PolarHBondContact O-N 3.46Å
335I68.4Low63.5Low99 Ų99125.5 Ų125.551%0.50859%0.589SS.*Hα-helixtrans-63.5-39.1174.8-66.2163.6000111.2K331 S333 K339K331-I335 WeakPolarHBondContact O-CD1 3.43Å; K331-I335 VanDerWaalsContact O-CG1 3.29Å; K331-I335 WeakPolarHBondContact O-CG1 3.29Å; K331-I335 PolarHBondContact O-N 2.83Å; K331-I335 VanDerWaalsContact O-N 3.16Å; S333-I335 PolarHBondContact O-N 3.48Å; I335-K339 WeakPolarHBondContact O-CG 3.42Å; I335-K339 PolarHBondContact O-N 3.2Å
336Q64.5Low62.3Low135 Ų135125.6 Ų125.663%0.63160%0.597SS**Hα-helixtrans-69.5-38.4175.9-70.4179.87.400112.5K332 S333 Q334 K339 K340K332-Q336 WeakPolarHBondContact O-CG 3.43Å; K332-Q336 PolarHBondContact O-N 3.07Å; S333-Q336 PolarHBondContact O-N 3.43Å; Q334-Q336 VanDerWaalsContact C-N 3.34Å; Q334-Q336 PolarHBondContact O-N 3.27Å; Q336-K339 PolarHBondContact O-N 2.89Å; Q336-K340 PolarHBondContact O-N 3.23Å
337G60.2Low60.8Low32 Ų32128.3 Ų128.333%0.3361%0.609SS.*Hα-helixtrans-60.2-49.4174.400000112.4S333 Q334 K339 K340 L341S333-G337 PolarHBondContact O-N 3.48Å; Q334-G337 PolarHBondContact O-N 3.16Å; G337-K339 PolarHBondContact O-N 3.03Å; G337-K340 PolarHBondContact O-N 3.49Å; G337-K340 VanDerWaalsContact O-N 3.1Å; G337-L341 WeakPolarHBondContact O-CG 3.46Å; G337-L341 PolarHBondContact O-N 3.36Å
338R59.7Low59.9Low189 Ų189132.8 Ų132.871%0.71364%0.637SS**Hα-helixtrans-61-27.5178.4-68.8-179.676.5141.52.7113.4Q334Q334-R338 WeakPolarHBondContact O-CG 3.5Å; Q334-R338 PolarHBondContact O-N 3.46Å
339K59.9Low58.2Low154 Ų154131.2 Ų131.267%0.6765%0.652SS**Hα-helixtrans-73.8-36.1174.7-74.1-177.3178.1-173.30113.3I335 Q336 G337 K342I335-K339 WeakPolarHBondContact O-CG 3.42Å; I335-K339 PolarHBondContact O-N 3.2Å; Q336-K339 PolarHBondContact O-N 2.89Å; G337-K339 PolarHBondContact O-N 3.03Å; K339-K342 PolarHBondContact O-N 3.33Å
340K57.8Low56.7Low155 Ų155134.4 Ų134.467%0.67467%0.666SS**Hα-helixtrans-69.8-39.6176-72.3-173.9173.3-173.30112.6Q336 G337 K342 S343Q336-K340 PolarHBondContact O-N 3.23Å; G337-K340 PolarHBondContact O-N 3.49Å; G337-K340 VanDerWaalsContact O-N 3.1Å; K340-K342 PolarHBondContact O-N 3.31Å; K340-S343 PolarHBondContact O-N 3.32Å; K340-S343 PolarHBondContact O-OG 3.2Å
341L53.6Low55.1Low132 Ų132131.9 Ų131.969%0.69167%0.667SS**Hα-helixtrans-66.5-21.7178.4-61.9170.8000113.1G337G337-L341 WeakPolarHBondContact O-CG 3.46Å; G337-L341 PolarHBondContact O-N 3.36Å
342K50.2Low53.4Low181 Ų181138.2 Ų138.279%0.78770%0.695SS**THydrogen-bonded Turntrans-83-15.4177.6-165.759.7174.41770113.3K339 K340K339-K342 PolarHBondContact O-N 3.33Å; K340-K342 PolarHBondContact O-N 3.31Å
343S52.7Low51.8Low96 Ų96135.4 Ų135.467%0.67170%0.697SS**SBendtrans-92.9-4.2179.147.90000114.9K340K340-S343 PolarHBondContact O-N 3.32Å; K340-S343 PolarHBondContact O-OG 3.2Å
344E50.5Low50.4Low168 Ų168141 Ų14179%0.78572%0.716SS**SBendtrans-105.1-1.8-171.5-149.6168.3126.800114
345F42Very low49Very low185 Ų185140 Ų14081%0.81172%0.718SS**SBendtrans-102.23.9-175.3-170.4-104.3000115.3
346N45.8Very low47.6Very low152 Ų152143.2 Ų143.281%0.81373%0.73SS**  trans-110.990.7176-79.6-18.6000110.6
347E42.5Very low46.6Very low185 Ų185144.4 Ų144.486%0.86474%0.736SS**  trans-83.1155.1155.2-98.9-134.292.600110.6
348P51.7Low45.4Very low116 Ų116149.1 Ų149.175%0.75375%0.754SS**  trans-93.7136-161.235.2-32.5000113.9
349G34.3Very low43.9Very low76 Ų76149.9 Ų149.978%0.78476%0.757SS**  trans-122.9151.6166.300000110.4
350E41.2Very low42.8Very low196 Ų196150.4 Ų150.492%0.91677%0.767SS**  trans-94.9159.9-152.8-58.5172.8144.700115.6
351D38.3Very low41.8Very low132 Ų132145.5 Ų145.571%0.70676%0.755SS**  trans71.697.5155.6-156.130.5000121
352F33.5Very low40.7Very low193 Ų193147.6 Ų147.685%0.84676%0.761SS**  -163.1158.5105.3-125.3-104000111.7
353A40.8Very low39.8Very low78 Ų78143.7 Ų143.765%0.64576%0.757SS**  trans-96.3168.8-161.400000116.9
354E42.3Very low39.1Very low183 Ų183145.6 Ų145.686%0.85576%0.764SS**  trans72.3137.9167.4-61.9-159.798.300117.3
355V39Very low38.2Very low104 Ų104143.3 Ų143.363%0.6377%0.767SS**  cis-157.6165.63.5109.90000111.8
356H39.1Very low37.8Very low165 Ų165142.3 Ų142.376%0.76477%0.765SS**  trans83.681.1176.2-64.9159.6000119.7
357Q44.2Very low37Very low161 Ų161143 Ų14375%0.75276%0.763SS**  25.2136.7101.4-51.3-68.7-8.200116.2
358N33.9Very low36.5Very low131 Ų131138.5 Ų138.570%0.70176%0.757SS**  -169.3123.353.6-175.9-67000112.2
359W29.9Very low35.8Very low204 Ų204143 Ų14377%0.77377%0.765SS**  trans57.6118.2152.2-67.261.2000123.3
360N36.2Very low35.6Very low166 Ų166143 Ų14389%0.88876%0.764SS**  trans-142.5162.1137.1-157.34.2000109.5
361A35.7Very low35.1Very low52 Ų52144 Ų14443%0.4376%0.761SS.*  trans72.7138-17300000115.2
362H31.3Very low35.1Very low176 Ų176148.5 Ų148.582%0.81577%0.769SS**  cis-132.3135.342.9-65-72.3000112
363S32Very low35.1Very low98 Ų98146.1 Ų146.169%0.68576%0.764SS**  62.7106.782.2-71.40000116.9
364T37.7Very low34.7Very low136 Ų136152.8 Ų152.883%0.83477%0.773SS**  trans61.7106.1140.559.70000120.9
365S30.6Very low34.5Very low121 Ų121151.2 Ų151.285%0.84677%0.766SS**  trans-145.7110.4134.954.70000112.4
366E33.1Very low34.2Very low163 Ų163154.5 Ų154.576%0.76277%0.772SS**  trans16.3147.7135.7-93.6-173.5-166.200123.9
367H30.6Very low34Very low167 Ų167152.1 Ų152.177%0.77377%0.769SS**  trans68.9102.7157.1-68.6100.8000119.5
368A31.9Very low33.4Very low90 Ų90156.3 Ų156.374%0.74478%0.778SS**  163.2128.794.800000115.6
369K35.6Very low33.3Very low212 Ų212153.2 Ų153.292%0.92278%0.777SS**  trans33.5120.3138.6-59.3172.4-179.21730120.1
370G30.3Very low33.4Very low74 Ų74152.9 Ų152.976%0.76378%0.781SS**  trans153107.7136.900000118.6
371Y31.8Very low33.3Very low217 Ų217151.1 Ų151.185%0.85178%0.782SS**  13.2134129.9-85.1-97.4000117.6
372R36.6Very low33.2Very low228 Ų228160.3 Ų160.386%0.8681%0.805SS**  cis-154.5154.744.1-61.4175.2-166-103.2-1.3113.5
373N33.9Very low33.3Very low142 Ų142155.5 Ų155.576%0.75980%0.803SS**  trans-59.3154.2159-38.5-83000111.8
374R33.4Very low33.2Very low218 Ų218162.7 Ų162.782%0.82382%0.815SS**  175.5136.5103.1-137.8-178.5-170.9-177.11.3113.5
375E37Very low33.1Very low151 Ų151166.9 Ų166.971%0.70682%0.817SS**  trans-57.9154.3154.5-69.568.8-159.200112
376F32.9Very low34.2Very low173 Ų173166.7 Ų166.776%0.75981%0.813SS**  177.8107.8119.1-107.1-80.6000113.3
377T35.9Very low34.3Very low114 Ų114169.4 Ų169.470%0.69982%0.817SS**  37.4146.3128-340000123.6
378R31.4Very low34.2Very low250 Ų250167.2 Ų167.294%0.94382%0.82SS**  trans93.8139.7168.8-55.7-180-176.9-132.31.1114.5
379G30.8Very low34.1Very low66 Ų66168 Ų16868%0.6882%0.819SS**  cis160.3136.3-8.400000113
380F32.4Very low34.1Very low197 Ų197167.3 Ų167.386%0.86482%0.819SS**  trans50.9128.4163.3-71.3-86.5000121.9
381S33.6Very low34Very low128 Ų128167.6 Ų167.690%0.89582%0.822SS**  -164144.6125.3-84.60000112.3
382R34.6Very low34Very low245 Ų245168 Ų16893%0.92582%0.821SS**  trans-101.1131.5-178.7-69.9179.5172-162.2-1.4112.3
383G32.6Very low35Very low75 Ų75161.6 Ų161.677%0.77381%0.809SS**  80155.4125.100000122.7
384R31Very low36.2Very low249 Ų249159.7 Ų159.794%0.9481%0.805SS**  trans106109.7161.7-59-158.5-157.4-100.68.7118.8
385Y36Very low37.2Very low224 Ų224154.3 Ų154.388%0.87880%0.798SS**  trans-76-177.3142.9-68.7-84000110.1
386P53Low37.2Very low117 Ų117154.4 Ų154.476%0.7680%0.799SS**  cis-137.3176.90.341.4-24.6000116.1
387R34.1Very low37.3Very low221 Ų221152.9 Ų152.983%0.83479%0.794SS**  trans-173.7141.7134.6-109.1-175.6-164.1-86.71.8113.3
388S30.1Very low37Very low121 Ų121156.5 Ų156.585%0.84680%0.8SS**  trans-136.2151.3158.6-63.60000108.6
389C29.7Very low36.9Very low106 Ų106154.2 Ų154.272%0.71679%0.793SS**  trans-128.5157.9-174-64.50000112.2
390H34.3Very low36.7Very low198 Ų198158.8 Ų158.892%0.91780%0.801SS**  trans-93.4164.6-162-58-62.5000117
391G28.7Very low36.7Very low80 Ų80153.4 Ų153.483%0.82579%0.789SS**  trans-139.7145.9152.800000110.8
392R32.2Very low36.4Very low224 Ų224156.1 Ų156.185%0.84579%0.787SS**  trans-153.2-173.4-170.4-132.5-167.9172.3-1091.9107.5
393P57.3Low36.4Very low94 Ų94152 Ų15261%0.6178%0.778SS**  cis-134.7-128.5-24.340.2-18.1000110.5
394P58.9Low36.4Very low103 Ų103155.5 Ų155.567%0.66978%0.776SS**  -119.9-153-56.440-21.8000111.3
395P55.5Low36.3Very low104 Ų104149.9 Ų149.968%0.67577%0.769SS**  cis-119.7155.5-20.418.26.6000114.1
396Q36.6Very low35.9Very low153 Ų153143.8 Ų143.872%0.71576%0.759SS**  60.4141.678.2-50.9-157.7-37.100115.5
397H33.8Very low34.7Very low142 Ų142145.8 Ų145.866%0.65776%0.759SS**  cis-116.7-154.29.8-65.5-95.8000110.2
398F31.3Very low34.2Very low190 Ų190142.6 Ų142.683%0.83375%0.753SS**  cis-148.9-143.85.6-129.1-45.7000111.9
399Y28.7Very low34.1Very low202 Ų202142.3 Ų142.379%0.79275%0.746SS**  trans-152.6150-174.2-131.4-109000110
400N26.7Very low34.1Very low161 Ų161143 Ų14386%0.86175%0.752SS**  trans-149.5143.1137-146.7-58000110
401S31.2Very low33.8Very low85 Ų85136.6 Ų136.659%0.59474%0.74SS**  trans-134.3118.1-179.1-175.70000106.6
402E28Very low34Very low184 Ų184142.5 Ų142.586%0.8674%0.743SS**  trans-65.7136.9174.7-62.3-175.1128.300110.1
403H34.8Very low34.4Very low160 Ų160137.3 Ų137.374%0.74174%0.738SS**  trans-165.1133.6155.7-118.8-82.1000112.9
404M32.1Very low33.3Very low148 Ų148138.7 Ų138.773%0.72975%0.751SS**  trans78.8115.3158.6-46.9-74.664.100119.7
405V28.4Very low31.9Very low131 Ų131142.6 Ų142.679%0.79476%0.76SS**  -157.9137.892.1145.60000110.5
406S27.7Very low30.7Very low96 Ų96148 Ų14867%0.67177%0.767SS**  trans0.9156.1155.2-40.60000120.1
407Q28.8Very low30.5Very low159 Ų159149.7 Ų149.774%0.74377%0.774SS**  cis-169.5146.645.5-158.2169.8-31.900113.8
408E24Very low30.3Very low154 Ų154149.3 Ų149.372%0.7278%0.778SS**  trans60.3145.5159-76.9170.2104.400119.6
409T27.1Very low30.5Very low114 Ų114146.7 Ų146.770%0.69977%0.772SS**  cis-155.315114.9-12.80000111.9
410S29.8Very low30.9Very low121 Ų121143.4 Ų143.485%0.84678%0.775SS**  trans50.3133156.559.20000121.7
411G27.8Very low31.2Very low64 Ų64142.3 Ų142.366%0.6677%0.768SS**  cis165.5120.7-9.200000115.1
412F32.8Very low31.8Very low204 Ų204146.9 Ų146.990%0.89578%0.782SS**  trans60.1155.8155.9-72.3-91000121.3
413P42.1Very low32.3Very low114 Ų114143.2 Ų143.274%0.7477%0.774SS**  -136.5172.6-57.137.6-19.8000114.3
414S32.8Very low32.3Very low124 Ų124144.2 Ų144.287%0.86778%0.78SS**  trans-85151.9172.8-48.30000113.9
415Q30.1Very low32.3Very low185 Ų185146.4 Ų146.486%0.86478%0.781SS**  trans-139.1130.8152.5-173.1165.7-6.800110.8
416R31.2Very low32.8Very low218 Ų218145.5 Ų145.582%0.82378%0.78SS**  trans-80152.8172.2-70.8-168.8-178.1-159.44.5111.2
417Q31.1Very low33.1Very low187 Ų187148.8 Ų148.887%0.87478%0.783SS**  trans-153.9147134.5-115.1173.2800111.5
418D30Very low33.8Very low135 Ų135147 Ų14772%0.72279%0.785SS**  trans-76.1139.4-178.7-62.3-99.1000112.9
419N34.9Very low34.3Very low135 Ų135147.2 Ų147.272%0.72279%0.79SS**  trans177.9131.7143.8-99.2-14.7000111.3I421N419-I421 PolarHBondContact O-N 3.19Å
420P36.9Very low35Very low132 Ų132146.5 Ų146.586%0.85779%0.787SS**  trans-85.488.9167.233.5-30.3000110.2
421I34.4Very low35.1Very low139 Ų139149 Ų14971%0.71379%0.788SS**  trans-104.7127.9165.4-79.1171.3000109N419 P423N419-I421 PolarHBondContact O-N 3.19Å; I421-P423 WeakPolarHBondContact O-CD 3.48Å
422M42.4Very low35.4Very low180 Ų180155 Ų15589%0.88780%0.796SS**  trans-74.4115.2-175.3-164.8158.866.300110.4
423P38.6Very low35.3Very low107 Ų107151.5 Ų151.570%0.69579%0.787SS**PPolyproline II helixtrans-81.9127.6175.1-3.321.8000109.8I421I421-P423 WeakPolarHBondContact O-CD 3.48Å
424Q35.7Very low35.1Very low182 Ų182150.9 Ų150.985%0.8578%0.781SS**PPolyproline II helixtrans-70135.2163.8-70.6-153.4-20.500109.9
425Y31.8Very low35.2Very low194 Ų194152.9 Ų152.976%0.76178%0.776SS**PPolyproline II helixtrans-86.5122.2166.1-93.8-80.1000110.1F427Y425-F427 AromaticContact CD1-CD2 3.82Å; Y425-F427 HydrophobicContact CD1-CD2 3.82Å; Y425-F427 AromaticContact CD1-CE2 3.2Å; Y425-F427 HydrophobicContact CD1-CE2 3.2Å; Y425-F427 AromaticContact CD1-CZ 3.81Å; Y425-F427 HydrophobicContact CD1-CZ 3.81Å; Y425-F427 AromaticContact CE1-CE2 3.59Å; Y425-F427 HydrophobicContact CE1-CE2 3.59Å; Y425-F427 AromaticContact CE1-CZ 3.83Å; Y425-F427 HydrophobicContact CE1-CZ 3.83Å; Y425-F427 HydrophobicContact CG-CD2 4.42Å; Y425-F427 HydrophobicContact CG-CE2 4.07Å
426S38.3Very low35.3Very low111 Ų111150.9 Ų150.978%0.77677%0.771SS**  trans-102.8106.9164.3-560000108.5
427F33.8Very low35.5Very low166 Ų166149.4 Ų149.473%0.72877%0.771SS**  trans-118.9133.9166.9-77.9-65.5000109.3Y425Y425-F427 AromaticContact CD1-CD2 3.82Å; Y425-F427 HydrophobicContact CD1-CD2 3.82Å; Y425-F427 AromaticContact CD1-CE2 3.2Å; Y425-F427 HydrophobicContact CD1-CE2 3.2Å; Y425-F427 AromaticContact CD1-CZ 3.81Å; Y425-F427 HydrophobicContact CD1-CZ 3.81Å; Y425-F427 AromaticContact CE1-CE2 3.59Å; Y425-F427 HydrophobicContact CE1-CE2 3.59Å; Y425-F427 AromaticContact CE1-CZ 3.83Å; Y425-F427 HydrophobicContact CE1-CZ 3.83Å; Y425-F427 HydrophobicContact CG-CD2 4.42Å; Y425-F427 HydrophobicContact CG-CE2 4.07Å
428P43.7Very low36.1Very low122 Ų122146.4 Ų146.479%0.79277%0.768SS**PPolyproline II helixtrans-77.4142.9175.332-33.2000111.1
429L36.1Very low36.5Very low157 Ų157148 Ų14882%0.82278%0.776SS**PPolyproline II helixtrans-77149.4170.7-71166.4000110.7
430P40.3Very low36.9Very low99 Ų99153.3 Ų153.364%0.64379%0.786SS**PPolyproline II helixtrans-68133.7175.628.2-33.8000111.3F432P430-F432 HydrophobicContact CB-CE2 4.24Å; P430-F432 HydrophobicContact CB-CZ 4.31Å; P430-F432 HydrophobicContact CG-CE2 4.21Å; P430-F432 HydrophobicContact CG-CZ 4.49Å
431M32Very low37.4Very low175 Ų175152 Ų15286%0.86278%0.779SS**PPolyproline II helixtrans-90.2141.4172.9-66.5-170.867.800111
432F33.6Very low38.1Very low188 Ų188150.7 Ų150.783%0.82578%0.78SS**  trans-128.1130.7166.8-54-83.8000107.8P430P430-F432 HydrophobicContact CB-CE2 4.24Å; P430-F432 HydrophobicContact CB-CZ 4.31Å; P430-F432 HydrophobicContact CG-CE2 4.21Å; P430-F432 HydrophobicContact CG-CZ 4.49Å
433D32Very low38.7Very low132 Ų132147.8 Ų147.871%0.70678%0.775SS**  trans-118.1107.7-171.9-155.349.2000107.7
434V37.9Very low39.9Very low100 Ų100148.2 Ų148.261%0.60678%0.777SS**  90133.3951620000114.1
435H33.8Very low40.9Very low166 Ų166145.1 Ų145.177%0.76977%0.773SS**  trans173.8123.1136.5-76.6-28.2000107.7
436N33.2Very low42.4Very low143 Ų143141.5 Ų141.577%0.76577%0.774SS**  cis109.892.247.9-1687.1000110.6
437F35Very low43.5Very low187 Ų187141.7 Ų141.782%0.8277%0.772SS**  trans-136.3143.8168.6-89.8-81000109.9L439F437-L439 PolarHBondContact O-N 3.1Å; F437-L439 VanDerWaalsContact O-N 3.14Å
438P44.3Very low44.4Very low125 Ų125139.2 Ų139.281%0.81277%0.772SS**  trans-85.691.2-169.533.7-34.6000112.3
439L37.8Very low44.7Very low168 Ų168139.5 Ų139.588%0.8878%0.775SS**  trans-98.8118.1170.8-73.3174000111.9F437 S441F437-L439 PolarHBondContact O-N 3.1Å; F437-L439 VanDerWaalsContact O-N 3.14Å; L439-S441 PolarHBondContact O-N 3.49Å
440R44.3Very low45.2Very low246 Ų246139.1 Ų139.193%0.92878%0.779SS**  trans-68.8105.5179.7-166.2-179.3-164169.43.7109.7
441S46.5Very low45.3Very low104 Ų104141 Ų14173%0.72778%0.783SS**PPolyproline II helixtrans-62.9138.2178.354.80000112L439L439-S441 PolarHBondContact O-N 3.49Å
442P49.3Very low45.5Very low112 Ų112140.4 Ų140.473%0.72778%0.78SS**PPolyproline II helixtrans-67.5153.2172.629.8-34.7000111.3
443P55.3Low45.6Very low119 Ų119136.8 Ų136.877%0.77378%0.778SS**PPolyproline II helixtrans-70.1148.6-179.729.3-35000112.1
444P62.7Low45.5Very low116 Ų116142 Ų14275%0.75379%0.788SS**PPolyproline II helixtrans-71.6154.7178.630.4-35.6000112.5
445P58.1Low45.2Very low117 Ų117141.6 Ų141.676%0.7680%0.795SS**PPolyproline II helixtrans-68.5153.9175.729.7-35.4000112.3
446P62.2Low45.3Very low119 Ų119139.7 Ų139.777%0.77380%0.795SS**PPolyproline II helixtrans-70.1151.5-179.929.5-35.4000112.6
447P61.3Low45.7Very low115 Ų115138.8 Ų138.875%0.74780%0.797SS**PPolyproline II helixtrans-72.1153.7-179.930.6-35.9000112.7
448P53.8Low45.8Very low113 Ų113135.9 Ų135.973%0.73479%0.79SS**PPolyproline II helixtrans-68.8149.7174.530-35.2000111.7V450P448-V450 PolarHBondContact O-N 2.8Å
449P48.3Very low45.2Very low129 Ų129138 Ų13884%0.83879%0.791SS**PPolyproline II helixtrans-69.6129.6179.628-34000112N451P449-N451 PolarHBondContact O-N 3.19Å; P449-N451 VanDerWaalsContact O-N 3.13Å
450V47.4Very low45Very low149 Ų149133.8 Ų133.890%0.90378%0.78SS**  trans-74.595.1172.7-85.20000111.3P448P448-V450 PolarHBondContact O-N 2.8Å
451N42.3Very low44.5Very low139 Ų139126.7 Ų126.774%0.74377%0.774SS**  trans-157.993.9154.7-160.513.5000113P449P449-N451 PolarHBondContact O-N 3.19Å; P449-N451 VanDerWaalsContact O-N 3.13Å
452M35.6Very low44Very low162 Ų162130.1 Ų130.180%0.79878%0.778SS**  -176.4127.5125.6-121.758.5168.800110.7
453S36.3Very low43.6Very low111 Ų111130.6 Ų130.678%0.77678%0.782SS**  trans-65139.7178510000114.7
454W30.4Very low42.5Very low243 Ų243132.5 Ų132.592%0.9278%0.784SS**  trans-160.4140.213154.7-69.8000114.3
455A32.3Very low41.2Very low90 Ų90135.1 Ų135.174%0.74479%0.791SS**  trans5.7123.8170.300000122.7
456T35.6Very low40Very low127 Ų127136.9 Ų136.978%0.77979%0.794SS**  trans-75.7160.6149.150.60000111.3
457P41.8Very low38.7Very low124 Ų124138.3 Ų138.381%0.80580%0.795SS**  -129.8123.889.834.4-24.2000111.8
458N36Very low37.9Very low125 Ų125138.4 Ų138.467%0.66880%0.795SS**  59.998.887.1-174.321000114.6
459M32.6Very low37.1Very low170 Ų170143.2 Ų143.284%0.83780%0.8SS**  trans-149122145.5-90.5-59.3103.500111.1
460A33.1Very low36.9Very low79 Ų79142.8 Ų142.865%0.65380%0.8SS**  trans27123.6155.900000121.5
461A34.5Very low36.8Very low97 Ų97143.6 Ų143.680%0.80280%0.799SS**  trans-89149.8164.300000112.3
462H34.5Very low37.2Very low176 Ų176142.1 Ų142.182%0.81580%0.796SS**  trans-131.2151.9165.1-78-71.8000110.9
463P40.8Very low38.2Very low122 Ų122140 Ų14079%0.79280%0.795SS**  trans-95.5164.1-149.736.5-37.2000115.9
464L33.8Very low39.1Very low159 Ų159139.6 Ų139.683%0.83279%0.79SS**  trans-56.8144.9173.6-62.7161.3000113.1
465L33.9Very low40.4Very low172 Ų172133.6 Ų133.690%0.90178%0.782SS**  trans-125.1112.9156.6-73.6177.1000109.7
466N34.3Very low41.7Very low154 Ų154134.9 Ų134.982%0.82478%0.783SS**  trans-81.1135.3168.3-81-20.2000109.8
467L35.1Very low43Very low149 Ų149134.4 Ų134.478%0.7878%0.782SS**  trans-137.9125.4161.6-87.4168.7000109.4
468P42.5Very low43.9Very low116 Ų116134 Ų13475%0.75378%0.779SS**  trans-89.3130.9175.433.9-30.1000110.6
469Y37.5Very low45.3Very low215 Ų215134.1 Ų134.184%0.84379%0.787SS**  trans-120.2113.7165-94.6-87.5000109.6
470S45.4Very low46.6Very low120 Ų120133.7 Ų133.784%0.83979%0.787SS**PPolyproline II helixtrans-83.3124.2170.8-57.40000109.2
471L43.5Very low47.7Very low166 Ų166135.3 Ų135.387%0.86979%0.791SS**PPolyproline II helixtrans-86.2141.4173.6-72.5164.3000110.4
472P52.2Low49.2Very low107 Ų107136.4 Ų136.470%0.69579%0.79SS**PPolyproline II helixtrans-73.7157171.832.2-34.6000111.5
473P55.3Low50.4Low119 Ų119133.6 Ų133.677%0.77379%0.787SS**PPolyproline II helixtrans-71.2150.9-178.629.6-35.4000112.9
474P55.7Low50.8Low102 Ų102133.9 Ų133.966%0.66279%0.789SS**PPolyproline II helixtrans-73.8157-179.930.8-35.8000113.1
475P57.5Low51.3Low116 Ų116132 Ų13275%0.75379%0.789SS**PPolyproline II helixtrans-72157178.430.8-35.9000113
476P59.3Low52Low118 Ų118129.4 Ų129.477%0.76679%0.786SS**PPolyproline II helixtrans-71.4152.9-179.429.8-35.6000113.1
477P63.6Low52.4Low117 Ų117125.8 Ų125.876%0.7678%0.784SS**PPolyproline II helixtrans-73.4156.5-17930.9-36000113.2
478P61.3Low52.8Low114 Ų114126.5 Ų126.574%0.7479%0.789SS**PPolyproline II helixtrans-70152.8179.329.6-35.6000112.9
479P64.1Low52.7Low128 Ų128126.1 Ų126.183%0.83179%0.789SS**PPolyproline II helixtrans-71.4150.2-177.629.2-35.2000113.4
480L59.8Low52.9Low162 Ų162123.5 Ų123.585%0.84879%0.79SS**PPolyproline II helixtrans-77.4151.3177.4-71.1166.6000112.1
481P57.8Low52.7Low113 Ų113122.9 Ų122.973%0.73479%0.785SS**PPolyproline II helixtrans-70.9147.6177.629.7-35.2000112.5
482P65.9Low52.8Low120 Ų120123.3 Ų123.378%0.77978%0.782SS**PPolyproline II helixtrans-76.3151.7-176.630.5-35.5000113.8
483P58.3Low52.4Low117 Ų117127.6 Ų127.676%0.7679%0.791SS**PPolyproline II helixtrans-73.6163.717531.6-35.4000113
484P49.5Very low51.6Low128 Ų128123.9 Ų123.983%0.83177%0.773SS**PPolyproline II helixtrans-73.2133.3-169.128.7-35.7000113.8
485S45.8Very low51.6Low118 Ų118125.3 Ų125.383%0.82578%0.783SS**PPolyproline II helixtrans-76.7122.1174.3-176.50000111.6
486S48.5Very low50.9Low119 Ų119129.9 Ų129.983%0.83279%0.787SS**PPolyproline II helixtrans-70.6135.3165.8-47.60000110.3
487G40.9Very low50.3Low77 Ų77139 Ų13979%0.79481%0.808SS**  trans-150.971.4-176.100000112.4S489G487-S489 PolarHBondContact O-N 3.25Å
488D45.2Very low49.6Very low165 Ų165140.2 Ų140.288%0.88281%0.81SS**  trans-74.7115.5167-85.8-57.2000110.4
489S40.4Very low49Very low108 Ų108141.5 Ų141.576%0.75581%0.814SS**  178.1102.9122.357.40000114G487G487-S489 PolarHBondContact O-N 3.25Å
490N42Very low48.2Very low159 Ų159142.3 Ų142.385%0.8581%0.813SS**  57.196.2120.2-161.113.5000120
491S40.2Very low47.5Very low107 Ų107141.1 Ų141.175%0.74881%0.811SS**  trans-151.690.8148.968.30000114
492H46.7Very low46.9Very low175 Ų175142.9 Ų142.981%0.8182%0.816SS**  trans33.9102.5133.9-144.5-44.3000118.6
493F42Very low45.6Very low198 Ų198144.4 Ų144.487%0.86882%0.818SS**  trans-122.5119.9157.5-111.1-92.5000110.2
494G38.3Very low44.7Very low40 Ų40146.4 Ų146.441%0.41282%0.823SS.*PPolyproline II helixtrans-87.8161.8170.300000111.4
495P56.3Low44.3Very low132 Ų132147.8 Ų147.886%0.85782%0.822SS**PPolyproline II helixtrans-76.7135.7-178.131.7-33.7000111.2
496Y44Very low44.2Very low213 Ų213150.3 Ų150.384%0.83582%0.822SS**PPolyproline II helixtrans-103.4122.7162.2-83-87.7000109.2
497Y46.1Very low43.8Very low310 Ų310153.1 Ų153.1100%1.21682%0.821SS**  trans9.30160.8-82.6-89000119.6

Retrieved 497 of 497 residues in 140.7 ms (Link to these results)