A0A3P9P298_POERE Loading...

SWI/SNF related BAF chromatin remodeling complex subunit D1

AlphaFold DB , UniProt , Accession A0A3P9P298, Species POERE (Poecilia reticulata, Guppy), Gene n/a, Length 515 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.5Very low34.4Very low248 Ų248144.5 Ų144.5100%1.22285%0.851SS**  0132.80-84.9175.617000108.1
2A35.8Very low34.2Very low103 Ų103143.2 Ų143.285%0.85185%0.846SS**  trans-7.6153.816800000119.2
3A32.6Very low34.2Very low81 Ų81140.2 Ų140.267%0.66985%0.847SS**  cis175.4150.9-7.400000107.2
4R33.8Very low34Very low251 Ų251135.8 Ų135.895%0.94785%0.845SS**  trans55.8144.1144.3-70.3179.2163.5-170.9-5.2119.8
5G31.3Very low33.8Very low76 Ų76132.5 Ų132.578%0.78485%0.848SS**  cis-166.6161.95.600000107.1
6G30.4Very low33.6Very low76 Ų76129.6 Ų129.678%0.78485%0.851SS**  cis101.790.240.500000109.2
7F29.7Very low33.5Very low213 Ų213127 Ų12793%0.93485%0.852SS**  trans-130.3108.7164-104-84.5000109.4
8Q30.6Very low33.7Very low193 Ų193124.9 Ų124.990%0.90285%0.846SS**  trans-112.4140.8157.9-92.4-179.8-11.200106.7
9S31.1Very low33.7Very low114 Ų114128.7 Ų128.780%0.79785%0.853SS**  trans-142.6124.4156.254.10000110.1
10T29.3Very low33.8Very low130 Ų130125.8 Ų125.880%0.79885%0.846SS**  trans-143.2177.6161.455.60000105.2
11P57.4Low34.4Very low104 Ų104126.5 Ų126.568%0.67585%0.849SS**  -133.3-168.8-52.534.9-16.6000110.3
12T32.3Very low34.3Very low129 Ų129118 Ų11879%0.79183%0.825SS**  trans150.1112.6138.2440000110.2
13A34.6Very low34.9Very low104 Ų104118.7 Ų118.786%0.8682%0.821SS**  79.5135.388.600000111.9
14G30.9Very low35.6Very low79 Ų79120.9 Ų120.981%0.81483%0.828SS**  cis170.7174.85.700000109.3
15G30.4Very low35.8Very low87 Ų87115.2 Ų115.290%0.89782%0.821SS**  trans115114.6170.500000112.1
16G31.5Very low36.6Very low86 Ų86117.3 Ų117.389%0.88782%0.821SS**  cis130.1114.816.800000107.7
17G31.9Very low36.7Very low85 Ų85117.5 Ų117.588%0.87682%0.823SS**  trans172.5100.9176.900000111.9
18A35.8Very low36.8Very low90 Ų90112.5 Ų112.574%0.74482%0.821SS**  trans-102.4176.5-17100000113
19M35.3Very low37Very low197 Ų197107.9 Ų107.997%0.9782%0.816SS**  trans82.5129.9164.1-51.2-172177.200115.2
20G34.7Very low38.1Very low69 Ų69108.8 Ų108.871%0.71182%0.819SS**  cis177.4168.7600000107.4
21P45.9Very low38.2Very low142 Ų142106.4 Ų106.492%0.92282%0.82SS**  trans-88.9145-171.134.6-30.6000111.9
22G34.2Very low37Very low70 Ų70110.9 Ų110.972%0.72284%0.835SS**  trans-152.9170174.500000111.4
23P49.2Very low37Very low116 Ų116108.1 Ų108.175%0.75383%0.831SS**  -109.3170.3-93.236.3-33.5000113.3
24P46.8Very low37.8Very low127 Ų127109.7 Ų109.783%0.82583%0.833SS**  trans-87.7153.6173.835.9-30.5000111.4
25V39.2Very low37.7Very low132 Ų132109.6 Ų109.680%0.883%0.832SS**  trans-135.7158.6173-129.50000108.6
26P48.4Very low37.8Very low121 Ų121112 Ų11279%0.78683%0.83SS**  -104.9159-120.111.714.2000110.9
27G31.8Very low38.6Very low80 Ų80113.1 Ų113.183%0.82582%0.821SS**  91.79070.400000110.8
28A31.4Very low38.7Very low108 Ų108114.8 Ų114.889%0.89382%0.819SS**  trans-147119.6155.400000108.4
29A35.8Very low38.5Very low96 Ų96113.9 Ų113.979%0.79382%0.819SS**  trans-143.2-178.8174.900000106.8
30P53.4Low38.4Very low132 Ų132115.3 Ų115.386%0.85781%0.813SS**  -126.6177.2-61.334.5-19000110.8
31G31Very low38.3Very low80 Ų80119.2 Ų119.283%0.82582%0.815SS**  trans-159.6105171.100000113.4
32M33.4Very low37.7Very low199 Ų199115.9 Ų115.998%0.9881%0.806SS**  trans-82.6148.6175.2-78.6163.6144.200112.4
33G30.8Very low38.5Very low70 Ų70118.2 Ų118.272%0.72281%0.809SS**  trans100.8165.6130.600000119.1
34P50.8Low37.6Very low138 Ų138118.4 Ų118.490%0.89681%0.808SS**  -127.6171.6-106.937.3-23.6000114.6
35G29.8Very low37Very low77 Ų77118.2 Ų118.279%0.79481%0.81SS**  trans167.3101.4164.200000116.1
36T32.2Very low36.5Very low137 Ų137115.5 Ų115.584%0.8481%0.809SS**  trans-77.8-178.5148.651.10000108.8
37P49.4Very low35.7Very low109 Ų109114.3 Ų114.371%0.70881%0.809SS**  cis-144.2-172.88.636.8-13.6000116.8
38S33.1Very low35.7Very low120 Ų120119.3 Ų119.384%0.83981%0.811SS**  trans99129.4154.4-42.40000115.7
39G31.8Very low35.7Very low71 Ų71121.7 Ų121.773%0.73281%0.809SS**  cis163.8163.6-100000110.8
40R32.9Very low35.4Very low228 Ų228126.2 Ų126.286%0.8681%0.813SS**  trans83.7131.9154.1-143.3167.8-163.5-170.61.1116.1
41M33Very low34.4Very low150 Ų150128.9 Ų128.974%0.73982%0.816SS**  cis-163.9130.212.7-118.1156.9173.800104.8
42G32.4Very low34.4Very low72 Ų72136.8 Ų136.874%0.74282%0.823SS**  72.8152.876.600000114
43P51.6Low34.2Very low120 Ų120139.1 Ų139.178%0.77982%0.82SS**  cis-127.9177-33.829.3-5.8000111.6
44T30.5Very low34.2Very low120 Ų120141.1 Ų141.174%0.73682%0.823SS**  178.813879.643.90000112.8
45S33.3Very low33.6Very low122 Ų122140.4 Ų140.485%0.85382%0.819SS**  trans40.2137.2143.658.10000121.5
46G30.1Very low33.6Very low76 Ų76145.6 Ų145.678%0.78483%0.825SS**  cis178.9165.313.500000110.7
47A30.9Very low34.2Very low95 Ų95144.8 Ų144.879%0.78582%0.822SS**  trans-57.2166.7-177.700000113.8
48Q31.6Very low33.2Very low186 Ų186143 Ų14387%0.86982%0.823SS**  cis-178.2159.749-147.4165.37.600111.5
49N31.1Very low33.3Very low158 Ų158143.7 Ų143.785%0.84583%0.825SS**  trans-49143.9172.9-89.1-24.2000116.1
50H30.7Very low33.3Very low191 Ų191143.4 Ų143.488%0.88482%0.822SS**  trans-113.2114.7161.6-95.7-59.2000112
51M31.6Very low33.3Very low187 Ų187143.7 Ų143.792%0.92182%0.824SS**  trans-89.2140.4160.1-83.6-173.4166.600110.2
52Y30.9Very low33.6Very low247 Ų247142 Ų14297%0.96983%0.825SS**  trans-74.9130.7172.1-100.2-99.6000111.5
53R29.2Very low33.5Very low247 Ų247150.3 Ų150.393%0.93283%0.834SS**  trans-142129.9161.8-162.2177.7-165.8-171.23.3110.3
54S30.5Very low32.8Very low112 Ų112150.5 Ų150.578%0.78384%0.835SS**  trans-66.2152.9178.9-50.10000113.6
55P39.5Very low32.7Very low123 Ų123148.6 Ų148.680%0.79984%0.84SS**  trans-102.3146.8174.636-27.7000113.5
56M30.4Very low32.8Very low186 Ų186151.4 Ų151.492%0.91684%0.841SS**  trans-127.4161.2160.7-91.8-65.5-148.400108.5
57P42.9Very low33.5Very low121 Ų121153.4 Ų153.479%0.78684%0.84SS**  trans-100.6159.6-141.838.3-36.6000114.7
58G28.8Very low33.8Very low71 Ų71154 Ų15473%0.73284%0.837SS**  trans-154.5165.4173.600000112.1
59P36.1Very low33.8Very low134 Ų134150.5 Ų150.587%0.8783%0.833SS**  -101155.5-126.136.4-35.3000115.1
60G30.6Very low33.8Very low65 Ų65148.3 Ų148.367%0.6783%0.83SS**  trans-92.2161.6177.200000114.7
61Y33.3Very low33.8Very low234 Ų234149.6 Ų149.692%0.91883%0.827SS**  trans-148.5155.6151.1-89.8-79.8000110.4
62P40.3Very low33.8Very low115 Ų115147.6 Ų147.675%0.74782%0.817SS**  trans-113.7170.9-148.541.4-33.6000115.6
63R29.2Very low33.8Very low246 Ų246141.7 Ų141.793%0.92881%0.806SS**  trans-132.6158.2160.6-103.9-149.9168-148.6-0.4111.2
64P36.7Very low34.6Very low124 Ų124135 Ų13581%0.80580%0.795SS**  trans-116.7160.2-14221.90.1000115.2
65G30.1Very low34.7Very low81 Ų81138.9 Ų138.984%0.83580%0.801SS**  trans-179.2103.9167.300000113.5
66M33.9Very low34.1Very low180 Ų180136.2 Ų136.289%0.88780%0.796SS**  trans-75.9179.6177.5-114149.6111.700112.8
67P44.4Very low35.3Very low118 Ų118134 Ų13477%0.76680%0.795SS**  cis-136179.15.930.5-6.3000117.2
68P39.2Very low34.7Very low109 Ų109133.1 Ų133.171%0.70880%0.798SS**  trans-111.6170.3-172.139.8-27.9000114.6
69S29.9Very low34.9Very low112 Ų112138.8 Ų138.878%0.78381%0.808SS**  trans-140.7117.7158.8-83.40000111.5
70S32.4Very low34.5Very low112 Ų112136 Ų13678%0.78380%0.804SS**  trans53.2134.6131.1-49.30000119.3
71R29.8Very low35.1Very low217 Ų217138.9 Ų138.982%0.81981%0.811SS**  cis-173.6138.94.9-136-174.4178.6172.3-0.2108.3
72M32.3Very low35.8Very low146 Ų146133.9 Ų133.972%0.71981%0.806SS**  trans60.2104.3135.9-73.2172.4141.200124.3
73T30.4Very low35.2Very low122 Ų122132.1 Ų132.175%0.74881%0.809SS**  38.8166.7108.658.70000123.1
74P46.7Very low35.3Very low107 Ų107132.3 Ų132.370%0.69581%0.812SS**  cis-145.8-171.1-45.641.5-22.2000114.8
75Q31.6Very low34.9Very low194 Ų194129.6 Ų129.691%0.90781%0.806SS**  trans114.3131.7139.4-141.7163.818.100119.8
76G28.1Very low34.8Very low67 Ų67132 Ų13269%0.69181%0.81SS**  trans-97.3-142.5178.500000115
77P55.7Low34.6Very low138 Ų138128.6 Ų128.690%0.89680%0.804SS**  -118.9168.6-103.939.3-29.7000115.5
78A29.4Very low34.7Very low104 Ų104128.2 Ų128.286%0.8680%0.802SS**  trans-166.3144.8155.200000116
79M32.9Very low34.4Very low190 Ų190129 Ų12994%0.93680%0.804SS**  trans-17.2151.6163.3-64.9-85.6-145.100122.3
80G27Very low34.4Very low75 Ų75129 Ų12977%0.77381%0.805SS**  trans-84.3-153.4170.600000115
81P44.8Very low34.2Very low126 Ų126135 Ų13582%0.81881%0.81SS**  cis-133.2-144.5-4.738.8-15.5000112.7
82P47.2Very low34.9Very low128 Ų128130.4 Ų130.483%0.83181%0.808SS**  -121.7173.5-62.731.3-11.6000114.7
83G28.6Very low34.7Very low78 Ų78127.2 Ų127.280%0.80481%0.812SS**  trans-175.3135.3167.200000117.1
84Y29.6Very low34.8Very low251 Ų251130 Ų13098%0.98482%0.819SS**  trans-67.7160-172.9-100.4-114.8000117.7
85G28.6Very low34.8Very low67 Ų67130.6 Ų130.669%0.69182%0.823SS**  trans135.8111.4133.100000120.4
86S28.5Very low34.8Very low130 Ų130124.5 Ų124.591%0.90981%0.812SS**  trans60.4125138.8-72.10000124.5
87S30Very low35Very low109 Ų109127.4 Ų127.476%0.76282%0.816SS**  trans-63.3-174.9148.9-45.70000111.8
88P46.4Very low34.1Very low110 Ų110129.8 Ų129.871%0.71482%0.818SS**  cis-152-168.613.731.7-2.6000117.7
89V31.5Very low34.1Very low125 Ų125132 Ų13276%0.75882%0.815SS**  trans72.1123.9154.5-148.20000117.4
90S30.6Very low34.6Very low114 Ų114127.4 Ų127.480%0.79780%0.799SS**  -174.5143.474.6-57.30000114.8
91R28.6Very low34.8Very low238 Ų238129 Ų12990%0.89880%0.799SS**  trans-50.3-169.5167-105.2-179.5169.5-166.9-1.5116.6
92P43.8Very low34.2Very low120 Ų120133.6 Ų133.678%0.77980%0.8SS**  cis-141.1174.2-24.631.8-11000115.4
93G28.2Very low33.4Very low78 Ų78135.9 Ų135.980%0.80480%0.797SS**  trans174.2106.4156.100000115.4
94M33.9Very low33.5Very low181 Ų181143.5 Ų143.589%0.89280%0.801SS**  trans-120.4178.6169.8-95.4-74.3-123.200107.1
95P46.3Very low33.5Very low120 Ų120138 Ų13878%0.77980%0.796SS**  cis-145-17919.135.5-11.9000116.8
96G31.3Very low33.6Very low66 Ų66139 Ų13968%0.6880%0.798SS**  trans170.854.9162.100000120
97V33.3Very low33.9Very low127 Ų127138.9 Ų138.977%0.7779%0.794SS**  trans42.5118.2132.4-162.10000121.8
98M35.5Very low34.2Very low189 Ų189142.3 Ų142.393%0.93180%0.798SS**  174.1137.5114.1-87.9-169.3-151.600112.2
99D30.3Very low34.2Very low150 Ų150146.1 Ų146.180%0.80281%0.806SS**  trans-99.5-162.8-173.5-155.23.4000110.3
100P43.8Very low34.6Very low93 Ų93148.4 Ų148.460%0.60481%0.813SS**  cis-124162.7-49.310.512.9000115.1
101S30.6Very low35Very low110 Ų110152 Ų15277%0.76982%0.817SS**  trans69.2111.3136.8-64.60000123.6
102R32.3Very low35.5Very low222 Ų222149.3 Ų149.384%0.83881%0.814SS**  168.1120.7102.7-97.8-177.3175.1179.10.6115
103K30.5Very low35.4Very low176 Ų176150.7 Ų150.777%0.76582%0.82SS**  trans68.6113.1134.8-67.7-176.3177.5-177.40123.3
104R30.3Very low35.9Very low238 Ų238156.1 Ų156.190%0.89883%0.825SS**  trans86.5126.6139-74.5-173.9176-164-0.9121.1
105P30Very low36.2Very low134 Ų134156.3 Ų156.387%0.8782%0.823SS**  trans-120.4167.5135.117.13.8000113.6
106A31.1Very low35.9Very low90 Ų90159 Ų15974%0.74483%0.825SS**  trans-68.9162.6-164.100000117.1
107P33.8Very low36.2Very low126 Ų126165 Ų16582%0.81884%0.836SS**  trans-89.9107.8173.933.1-27.8000111.6
108Q37.1Very low36.3Very low181 Ų181166 Ų16685%0.84684%0.837SS**  trans-145.3113.3156.1-75.7-171.4-11.400108.2
109Q44.7Very low36.4Very low190 Ų190166.1 Ų166.189%0.88883%0.827SS**  trans153.375.1150.6-87.6174.19.600111.1
110I41.3Very low36.6Very low174 Ų174167.1 Ų167.189%0.89283%0.832SS**SBendtrans-148.272.9148.9-51.6179.4000108
111Q37.7Very low36.4Very low190 Ų190171 Ų17189%0.88884%0.842SS**SBendtrans-160.644.7160.7-143.7156.723.900114.6
112Q40.2Very low36.9Very low180 Ų180173 Ų17384%0.84184%0.839SS**  trans-130.612.5177.7-84.6-170.4-1.100116.7
113V41.2Very low37.5Very low149 Ų149167.4 Ų167.490%0.90383%0.83SS**SBendtrans-104.413.3-177.5-148.50000114.4
114Q39.8Very low38.5Very low193 Ų193168.4 Ų168.490%0.90283%0.834SS**SBendtrans-128.132.3-177.9-147.6165.118.900115.6
115Q40.4Very low39.6Very low185 Ų185166.3 Ų166.386%0.86483%0.832SS**SBendtrans-128.66.8171.5-96.1-179.81200115.2
116Q38.8Very low41.2Very low175 Ų175164.7 Ų164.782%0.81881%0.811SS**SBendtrans-102.37.5-170.9-143.7151.512.300115.4
117Q37.5Very low43Very low194 Ų194167.4 Ų167.491%0.90781%0.806SS**SBendtrans-110.98.4-179.8-141.1168.724.300115
118N36.3Very low44.4Very low148 Ų148166.7 Ų166.779%0.79179%0.793SS**SBendtrans-118.616.1178.9-133.48000114.4
119R37.5Very low45.9Very low191 Ų191161.2 Ų161.272%0.72178%0.779SS**  trans-99.36.8-173.3-151.9173.6159.1176.1-6.8114.6
120N34.1Very low47.2Very low171 Ų171155.8 Ų155.891%0.91476%0.756SS**SBendtrans-99.23.6177.4-92.917.9000115H122N120-H122 VanDerWaalsContact C-N 3.34Å
121Q39.9Very low49Very low174 Ų174148.9 Ų148.981%0.81372%0.719SS**  trans-97.959.2159.4-74.6-173.414.200110T123Q121-T123 PolarHBondContact O-N 3.38Å
122H39.6Very low51.2Low152 Ų152143.3 Ų143.370%0.70470%0.695SS**  trans-69.194.9155.8-107.3-60.6000106.9N120 K124N120-H122 VanDerWaalsContact C-N 3.34Å; H122-K124 PolarHBondContact O-N 3.1Å; H122-K124 VanDerWaalsContact O-N 3.16Å
123T44.8Very low53.3Low105 Ų105135.5 Ų135.564%0.64466%0.659SS**  trans-24.6116.4154.840.50000110Q121 K125Q121-T123 PolarHBondContact O-N 3.38Å; T123-K125 PolarHBondContact O-N 3.07Å
124K52.3Low55.4Low197 Ų197130.3 Ų130.386%0.85763%0.628SS**  trans-45.7123.4165.6-73.4177.1179.2172.50106.1H122 K126H122-K124 PolarHBondContact O-N 3.1Å; H122-K124 VanDerWaalsContact O-N 3.16Å; K124-K126 PolarHBondContact O-N 3.36Å
125K54.3Low57.4Low194 Ų194126.8 Ų126.884%0.84361%0.612SS**  trans-49.4111.6177.8-78.4-177.5176.5177.70107.6T123 K127T123-K125 PolarHBondContact O-N 3.07Å; K125-K127 PolarHBondContact O-N 3.33Å
126K63Low59.3Low100 Ų100125.2 Ų125.244%0.43560%0.598SS.*  trans-57.7125.8-175.4-63.7170.6-176.3166.80108.5K124 N422K124-K126 PolarHBondContact O-N 3.36Å; K126-N422 VanDerWaalsContact CE-OD1 3.31Å; K126-N422 WeakPolarHBondContact CE-OD1 3.41Å; K126-N422 PolarHBondContact NZ-OD1 3.38Å
127K67.8Low61.3Low147 Ų147117.9 Ų117.964%0.63956%0.564SS**  trans-94.7148.4-174.1-64.3-179.4-180176.50109K125 A129 D130K125-K127 PolarHBondContact O-N 3.33Å; K127-A129 PolarHBondContact O-N 2.98Å; K127-A129 VanDerWaalsContact O-N 3.09Å; K127-D130 PolarHBondContact N-OD2 3.26Å; K127-D130 WeakPolarHBondContact O-CB 3.45Å; K127-D130 PolarHBondContact O-N 3.4Å
128M63.8Low63.4Low110 Ų110112.5 Ų112.554%0.54254%0.536SS..G310 helixtrans-49.8-34.1170.3-102.6-96.117300112.9D130 K131 R155M128-D130 PolarHBondContact O-N 3.46Å; M128-K131 PolarHBondContact O-N 3.01Å; M128-R155 HydrophobicContact CE-CG 3.4Å
129A68Low65.5Low66 Ų66112.2 Ų112.255%0.54553%0.529SS..G310 helixtrans-61.4-27.9177.300000113.2K127 K131 I132K127-A129 PolarHBondContact O-N 2.98Å; K127-A129 VanDerWaalsContact O-N 3.09Å; A129-K131 PolarHBondContact O-N 2.98Å; A129-I132 PolarHBondContact O-N 3.48Å
130D72.7Confident67.5Low76 Ų76107.2 Ų107.241%0.40652%0.517SS..G310 helixtrans-78.2-12.5-177.5-49.3-29.6000111.8K127 M128K127-D130 PolarHBondContact N-OD2 3.26Å; K127-D130 WeakPolarHBondContact O-CB 3.45Å; K127-D130 PolarHBondContact O-N 3.4Å; M128-D130 PolarHBondContact O-N 3.46Å
131K78.7Confident70Confident30 Ų30102.1 Ų102.113%0.1349%0.491CS..G310 helixtrans-94.2-6.2172.6-61.5-166.5-177.6-163.40113.3M128 A129 Y147 L151 E154 D421 I428M128-K131 PolarHBondContact O-N 3.01Å; A129-K131 PolarHBondContact O-N 2.98Å; K131-Y147 WeakPolarHBondContact O-CE1 3.24Å; K131-Y147 PolarHBondContact O-OH 3.23Å; K131-L151 HydrophobicContact CB-CD2 4.36Å; K131-L151 HydrophobicContact CD-CD2 4.42Å; K131-L151 WeakPolarHBondContact O-CD1 3.44Å; K131-E154 IonicContact NZ-OE1 3.19Å; K131-D421 IonicContact NZ-OD1 2.64Å; K131-D421 PolarHBondContact NZ-OD1 3.26Å; K131-D421 IonicContact NZ-OD2 2.89Å; K131-D421 PolarHBondContact NZ-OD2 3.17Å; K131-I428 WeakPolarHBondContact O-CD1 3.47Å
132I84.4Confident72Confident73 Ų7398.8 Ų98.837%0.37449%0.485SS..SBendtrans-96.9132.5-173-63170.4000110.8A129 M148A129-I132 PolarHBondContact O-N 3.48Å; I132-M148 HydrophobicContact CG2-CE 3.97Å; I132-M148 HydrophobicContact CG2-SD 4.19Å
133L84.9Confident74.4Confident15 Ų1597.8 Ų97.88%0.07948%0.481CS..PPolyproline II helixtrans-73.5135.2174.2-65.8175.8000111.7R138 Y147 I428 I431L133-R138 HydrophobicContact CB-CG 4.07Å; L133-R138 PolarHBondContact O-NE 3.17Å; L133-Y147 HydrophobicContact CD1-CD1 3.64Å; L133-Y147 HydrophobicContact CD1-CE1 4.25Å; L133-Y147 HydrophobicContact CD1-CG 4.4Å; L133-Y147 HydrophobicContact CG-CD1 3.87Å; L133-Y147 HydrophobicContact CG-CE1 3.98Å; L133-I428 HydrophobicContact CD2-CG1 4.14Å; L133-I431 HydrophobicContact CD2-CD1 4.2Å; L133-I431 HydrophobicContact CD2-CG2 4.44Å
134P84.3Confident76.5Confident40 Ų4093.2 Ų93.226%0.2645%0.453SS..PPolyproline II helixtrans-58145175.8-20.328.6000112.2R136 I137 R138 N432P134-R136 VanDerWaalsContact C-N 3.29Å; P134-R136 PolarHBondContact O-N 2.99Å; P134-I137 WeakPolarHBondContact O-CB 3.39Å; P134-I137 PolarHBondContact O-N 3.31Å; P134-R138 PolarHBondContact O-N 3.45Å; P134-R138 VanDerWaalsContact O-N 3.11Å; P134-N432 WeakPolarHBondContact CD-OD1 3.26Å; P134-N432 WeakPolarHBondContact CG-OD1 3.44Å
135Q82.3Confident78.2Confident119 Ų11988.2 Ų88.256%0.55643%0.432SS*.Hα-helixtrans-57-39.4-176.2-171.5168.7-16.600113.8I137 R138 E139Q135-I137 VanDerWaalsContact C-N 3.27Å; Q135-I137 PolarHBondContact O-N 3.24Å; Q135-R138 WeakPolarHBondContact O-CA 3.46Å; Q135-R138 WeakPolarHBondContact O-CB 3.41Å; Q135-R138 PolarHBondContact O-N 3.32Å; Q135-E139 WeakPolarHBondContact CG-OE1 3.33Å; Q135-E139 PolarHBondContact NE2-OE1 2.88Å; Q135-E139 PolarHBondContact O-N 3.33Å
136R79.9Confident80Confident152 Ų15281.7 Ų81.757%0.57442%0.415SS*.Hα-helixtrans-63.6-30.8176.9-66.2-172.7-178.1-174.5-1.2113.4P134 L140 E439P134-R136 VanDerWaalsContact C-N 3.29Å; P134-R136 PolarHBondContact O-N 2.99Å; R136-L140 WeakPolarHBondContact O-CD1 3.46Å; R136-L140 WeakPolarHBondContact O-CG 3.08Å; R136-E439 WeakPolarHBondContact CD-OE1 3.18Å; R136-E439 IonicContact CZ-OE1 3Å; R136-E439 IonicContact NE-OE1 3.78Å; R136-E439 IonicContact NH1-OE1 2.76Å; R136-E439 PolarHBondContact NH1-OE1 2.88Å; R136-E439 IonicContact NH1-OE2 3.73Å
137I82.3Confident81.3Confident22 Ų2279.5 Ų79.511%0.11340%0.404CS..Hα-helixtrans-72.5-36.5171.7-71.8-61.3000110.3P134 Q135 E139 L140 V141 I431 K435P134-I137 WeakPolarHBondContact O-CB 3.39Å; P134-I137 PolarHBondContact O-N 3.31Å; Q135-I137 VanDerWaalsContact C-N 3.27Å; Q135-I137 PolarHBondContact O-N 3.24Å; I137-E139 VanDerWaalsContact C-N 3.33Å; I137-E139 PolarHBondContact O-N 3.06Å; I137-L140 HydrophobicContact CD1-CD1 4.45Å; I137-L140 PolarHBondContact O-N 3.09Å; I137-V141 PolarHBondContact O-N 3.39Å; I137-I431 HydrophobicContact CD1-CG2 4.4Å; I137-I431 HydrophobicContact CG1-CG2 4.18Å; I137-I431 HydrophobicContact CG2-CG2 4.2Å; I137-K435 HydrophobicContact CD1-CB 3.74Å; I137-K435 HydrophobicContact CD1-CD 4.27Å; I137-K435 HydrophobicContact CD1-CG 3.61Å; I137-K435 HydrophobicContact CG1-CB 4.09Å; I137-K435 HydrophobicContact CG1-CD 3.89Å; I137-K435 HydrophobicContact CG1-CG 3.82Å
138R80.3Confident82.4Confident81 Ų8174 Ų7431%0.30638%0.381SS..Hα-helixtrans-64.1-36.7179.7-65.8-172.6-79.3135.50.7113.5L133 P134 Q135 L140 S144L133-R138 HydrophobicContact CB-CG 4.07Å; L133-R138 PolarHBondContact O-NE 3.17Å; P134-R138 PolarHBondContact O-N 3.45Å; P134-R138 VanDerWaalsContact O-N 3.11Å; Q135-R138 WeakPolarHBondContact O-CA 3.46Å; Q135-R138 WeakPolarHBondContact O-CB 3.41Å; Q135-R138 PolarHBondContact O-N 3.32Å; R138-L140 VanDerWaalsContact C-N 3.29Å; R138-L140 PolarHBondContact O-N 2.83Å; R138-S144 WeakPolarHBondContact CA-OG 3.46Å; R138-S144 PolarHBondContact O-OG 3.41Å
139E81.1Confident83.7Confident142 Ų14273 Ų7366%0.66438%0.378SS*.Hα-helixtrans-73.2-21.1177-69.5166.8-167.100113.1Q135 I137Q135-E139 WeakPolarHBondContact CG-OE1 3.33Å; Q135-E139 PolarHBondContact NE2-OE1 2.88Å; Q135-E139 PolarHBondContact O-N 3.33Å; I137-E139 VanDerWaalsContact C-N 3.33Å; I137-E139 PolarHBondContact O-N 3.06Å
140L79.6Confident85Confident86 Ų8675.4 Ų75.445%0.4538%0.381SS..Hα-helixtrans-90.4-27.6-178.3-69166000113.2R136 I137 R138 R438R136-L140 WeakPolarHBondContact O-CD1 3.46Å; R136-L140 WeakPolarHBondContact O-CG 3.08Å; I137-L140 HydrophobicContact CD1-CD1 4.45Å; I137-L140 PolarHBondContact O-N 3.09Å; R138-L140 VanDerWaalsContact C-N 3.29Å; R138-L140 PolarHBondContact O-N 2.83Å; L140-R438 VanDerWaalsContact CD1-NH1 3.32Å
141V85.4Confident85.9Confident63 Ų6372.5 Ų72.538%0.38237%0.365SS..  trans-128.5110.4-173-177.40000109.7I137 E143 S144I137-V141 PolarHBondContact O-N 3.39Å; V141-E143 VanDerWaalsContact C-N 3.29Å; V141-E143 HydrophobicContact CG1-CB 4.37Å; V141-E143 WeakPolarHBondContact CG1-OE2 3.49Å; V141-E143 PolarHBondContact O-N 3.47Å; V141-S144 WeakPolarHBondContact O-CB 3.28Å; V141-S144 PolarHBondContact O-N 3.41Å; V141-S144 VanDerWaalsContact O-N 3.14Å; V141-S144 PolarHBondContact O-OG 2.95Å
142P83.2Confident86.4Confident104 Ų10472.5 Ų72.568%0.67537%0.371SS*.THydrogen-bonded Turntrans-64.3-30.9-174.623.4-31000113.4S144 Q145P142-S144 PolarHBondContact O-N 3.46Å; P142-Q145 PolarHBondContact O-N 3.39Å
143E89.3Confident87Confident132 Ų13275.2 Ų75.262%0.61738%0.38SS*.THydrogen-bonded Turntrans-67.4-16.5178.4-60.579.1-174.800112.9V141 Q145 A146 Y147V141-E143 VanDerWaalsContact C-N 3.29Å; V141-E143 HydrophobicContact CG1-CB 4.37Å; V141-E143 WeakPolarHBondContact CG1-OE2 3.49Å; V141-E143 PolarHBondContact O-N 3.47Å; E143-Q145 PolarHBondContact O-N 2.98Å; E143-A146 WeakPolarHBondContact O-CB 3.04Å; E143-A146 PolarHBondContact O-N 3.27Å; E143-A146 VanDerWaalsContact O-N 3.13Å; E143-Y147 PolarHBondContact O-N 2.8Å
144S89.2Confident87.3Confident8 Ų877.1 Ų77.16%0.05639%0.389CS..Hα-helixtrans-60-28.3175.370.30000112.6R138 V141 P142 Y147 M148R138-S144 WeakPolarHBondContact CA-OG 3.46Å; R138-S144 PolarHBondContact O-OG 3.41Å; V141-S144 WeakPolarHBondContact O-CB 3.28Å; V141-S144 PolarHBondContact O-N 3.41Å; V141-S144 VanDerWaalsContact O-N 3.14Å; V141-S144 PolarHBondContact O-OG 2.95Å; P142-S144 PolarHBondContact O-N 3.46Å; S144-Y147 PolarHBondContact O-N 3.25Å; S144-M148 WeakPolarHBondContact O-CG 3.39Å; S144-M148 PolarHBondContact O-N 3.28Å; S144-M148 VanDerWaalsContact O-N 3.16Å
145Q88.4Confident87.6Confident93 Ų9380.5 Ų80.544%0.43540%0.396SS..Hα-helixtrans-68.6-40.4176.6-175.356.242.700111.4P142 E143 Y147 M148 D149P142-Q145 PolarHBondContact O-N 3.39Å; E143-Q145 PolarHBondContact O-N 2.98Å; Q145-Y147 VanDerWaalsContact C-N 3.29Å; Q145-Y147 PolarHBondContact O-N 3.26Å; Q145-M148 WeakPolarHBondContact O-CB 3.22Å; Q145-M148 PolarHBondContact O-N 3.22Å; Q145-M148 VanDerWaalsContact O-N 3.1Å; Q145-D149 PolarHBondContact NE2-OD1 2.99Å; Q145-D149 PolarHBondContact O-N 2.64Å
146A91.4Very high88.2Confident57 Ų5781.6 Ų81.647%0.47140%0.399SS..Hα-helixtrans-61.2-39.217600000111.6E143 D149 L150E143-A146 WeakPolarHBondContact O-CB 3.04Å; E143-A146 PolarHBondContact O-N 3.27Å; E143-A146 VanDerWaalsContact O-N 3.13Å; A146-D149 PolarHBondContact O-N 3.03Å; A146-L150 WeakPolarHBondContact O-CG 3.4Å; A146-L150 PolarHBondContact O-N 2.98Å
147Y91.6Very high88.9Confident54 Ų5478.1 Ų78.121%0.21239%0.391CS..Hα-helixtrans-61.8-42.9173175-106.3000112.5K131 L133 E143 S144 Q145 D149 L150 L151 I424K131-Y147 WeakPolarHBondContact O-CE1 3.24Å; K131-Y147 PolarHBondContact O-OH 3.23Å; L133-Y147 HydrophobicContact CD1-CD1 3.64Å; L133-Y147 HydrophobicContact CD1-CE1 4.25Å; L133-Y147 HydrophobicContact CD1-CG 4.4Å; L133-Y147 HydrophobicContact CG-CD1 3.87Å; L133-Y147 HydrophobicContact CG-CE1 3.98Å; E143-Y147 PolarHBondContact O-N 2.8Å; S144-Y147 PolarHBondContact O-N 3.25Å; Q145-Y147 VanDerWaalsContact C-N 3.29Å; Q145-Y147 PolarHBondContact O-N 3.26Å; Y147-D149 VanDerWaalsContact C-N 3.32Å; Y147-D149 PolarHBondContact O-N 3.43Å; Y147-L150 WeakPolarHBondContact O-CB 3.3Å; Y147-L150 PolarHBondContact O-N 3.11Å; Y147-L151 HydrophobicContact CD1-CD1 4.13Å; Y147-L151 HydrophobicContact CE1-CD1 3.51Å; Y147-L151 HydrophobicContact CE1-CG 4.12Å; Y147-L151 HydrophobicContact CE2-CG 4.37Å; Y147-L151 PolarHBondContact O-N 2.97Å; Y147-I424 WeakPolarHBondContact OH-CG2 3.26Å
148M89.4Confident89.3Confident31 Ų3181.1 Ų81.115%0.15341%0.408CS..Hα-helixtrans-64.4-36.7176.5-67.8-60.4-59.900112.5I132 S144 Q145 L151 A152I132-M148 HydrophobicContact CG2-CE 3.97Å; I132-M148 HydrophobicContact CG2-SD 4.19Å; S144-M148 WeakPolarHBondContact O-CG 3.39Å; S144-M148 PolarHBondContact O-N 3.28Å; S144-M148 VanDerWaalsContact O-N 3.16Å; Q145-M148 WeakPolarHBondContact O-CB 3.22Å; Q145-M148 PolarHBondContact O-N 3.22Å; Q145-M148 VanDerWaalsContact O-N 3.1Å; M148-L151 PolarHBondContact O-N 3.22Å; M148-L151 HydrophobicContact SD-CD1 4.14Å; M148-A152 PolarHBondContact O-N 2.89Å
149D92.3Very high89.8Confident90 Ų9083.5 Ų83.548%0.48142%0.422SS..Hα-helixtrans-68-38.7175.6-65.7-23.7000111.3Q145 A146 Y147 A152 F153Q145-D149 PolarHBondContact NE2-OD1 2.99Å; Q145-D149 PolarHBondContact O-N 2.64Å; A146-D149 PolarHBondContact O-N 3.03Å; Y147-D149 VanDerWaalsContact C-N 3.32Å; Y147-D149 PolarHBondContact O-N 3.43Å; D149-A152 WeakPolarHBondContact O-CB 3.2Å; D149-A152 PolarHBondContact O-N 3.37Å; D149-F153 WeakPolarHBondContact O-CB 3.43Å; D149-F153 PolarHBondContact O-N 2.87Å
150L93.9Very high90.5Very high115 Ų11579.5 Ų79.560%0.60241%0.407SS*.Hα-helixtrans-60.7-43.2171.6-71.6174.3000111.9A146 Y147 A152 F153 E154A146-L150 WeakPolarHBondContact O-CG 3.4Å; A146-L150 PolarHBondContact O-N 2.98Å; Y147-L150 WeakPolarHBondContact O-CB 3.3Å; Y147-L150 PolarHBondContact O-N 3.11Å; L150-A152 VanDerWaalsContact C-N 3.31Å; L150-A152 PolarHBondContact O-N 3.09Å; L150-F153 PolarHBondContact O-N 3.45Å; L150-E154 WeakPolarHBondContact O-CB 3.49Å; L150-E154 PolarHBondContact O-N 3.32Å
151L91.6Very high91.1Very high16 Ų1679.2 Ų79.28%0.08441%0.406CS..Hα-helixtrans-63.7-35173.8-71.4176000112.7K131 Y147 M148 E154 R155K131-L151 HydrophobicContact CB-CD2 4.36Å; K131-L151 HydrophobicContact CD-CD2 4.42Å; K131-L151 WeakPolarHBondContact O-CD1 3.44Å; Y147-L151 HydrophobicContact CD1-CD1 4.13Å; Y147-L151 HydrophobicContact CE1-CD1 3.51Å; Y147-L151 HydrophobicContact CE1-CG 4.12Å; Y147-L151 HydrophobicContact CE2-CG 4.37Å; Y147-L151 PolarHBondContact O-N 2.97Å; M148-L151 PolarHBondContact O-N 3.22Å; M148-L151 HydrophobicContact SD-CD1 4.14Å; L151-E154 WeakPolarHBondContact CD2-OE2 3.48Å; L151-R155 WeakPolarHBondContact O-CG 2.96Å; L151-R155 PolarHBondContact O-N 2.85Å; L151-R155 VanDerWaalsContact O-N 3.17Å; L151-R155 PolarHBondContact O-NE 3.14Å
152A90.7Very high91.3Very high29 Ų2981 Ų8124%0.2441%0.411CS..Hα-helixtrans-69.5-39.1175.200000111.7M148 D149 L150 K156M148-A152 PolarHBondContact O-N 2.89Å; D149-A152 WeakPolarHBondContact O-CB 3.2Å; D149-A152 PolarHBondContact O-N 3.37Å; L150-A152 VanDerWaalsContact C-N 3.31Å; L150-A152 PolarHBondContact O-N 3.09Å; A152-K156 WeakPolarHBondContact O-CG 3.38Å; A152-K156 PolarHBondContact O-N 3.44Å
153F95.6Very high91.8Very high130 Ų13082.6 Ų82.657%0.5740%0.404SS*.Hα-helixtrans-67.2-47.5174.9179.1-99.5000111.9D149 L150 R155 K156 L157D149-F153 WeakPolarHBondContact O-CB 3.43Å; D149-F153 PolarHBondContact O-N 2.87Å; L150-F153 PolarHBondContact O-N 3.45Å; F153-R155 VanDerWaalsContact C-N 3.32Å; F153-R155 PolarHBondContact O-N 3.47Å; F153-K156 PolarHBondContact O-N 3.35Å; F153-L157 HydrophobicContact CE1-CD2 4.23Å; F153-L157 WeakPolarHBondContact O-CB 3.44Å; F153-L157 PolarHBondContact O-N 3.49Å
154E92.2Very high92Very high56 Ų5681.4 Ų81.426%0.26240%0.397SS..Hα-helixtrans-50.9-50.8174.4-177.4-163.6-167.600110.4K131 L150 L151 K156 L157 D158K131-E154 IonicContact NZ-OE1 3.19Å; L150-E154 WeakPolarHBondContact O-CB 3.49Å; L150-E154 PolarHBondContact O-N 3.32Å; L151-E154 WeakPolarHBondContact CD2-OE2 3.48Å; E154-K156 VanDerWaalsContact C-N 3.32Å; E154-K156 PolarHBondContact O-N 3.31Å; E154-L157 WeakPolarHBondContact O-CB 3.46Å; E154-L157 PolarHBondContact O-N 2.94Å; E154-L157 VanDerWaalsContact O-N 3.12Å; E154-D158 WeakPolarHBondContact O-CB 3.18Å; E154-D158 PolarHBondContact O-N 3.13Å
155R90.6Very high92.1Very high111 Ų11184.9 Ų84.942%0.41941%0.408SS..Hα-helixtrans-54.6-44.4176.3-81.1-174.5-75.31780113.4M128 L151 F153 Q159M128-R155 HydrophobicContact CE-CG 3.4Å; L151-R155 WeakPolarHBondContact O-CG 2.96Å; L151-R155 PolarHBondContact O-N 2.85Å; L151-R155 VanDerWaalsContact O-N 3.17Å; L151-R155 PolarHBondContact O-NE 3.14Å; F153-R155 VanDerWaalsContact C-N 3.32Å; F153-R155 PolarHBondContact O-N 3.47Å; R155-Q159 WeakPolarHBondContact O-CB 3.15Å; R155-Q159 WeakPolarHBondContact O-CG 3.35Å; R155-Q159 PolarHBondContact O-N 3.2Å; R155-Q159 VanDerWaalsContact O-N 3.07Å
156K94.5Very high92.3Very high141 Ų14184.6 Ų84.661%0.61341%0.409SS*.Hα-helixtrans-69.6-38.1180-71174.9-178.8177.10111.4A152 F153 E154 T160A152-K156 WeakPolarHBondContact O-CG 3.38Å; A152-K156 PolarHBondContact O-N 3.44Å; F153-K156 PolarHBondContact O-N 3.35Å; E154-K156 VanDerWaalsContact C-N 3.32Å; E154-K156 PolarHBondContact O-N 3.31Å; K156-T160 WeakPolarHBondContact O-CB 3.34Å; K156-T160 PolarHBondContact O-N 3.38Å; K156-T160 PolarHBondContact O-OG1 2.86Å
157L93.8Very high92.3Very high79 Ų7985.4 Ų85.441%0.41441%0.406SS..Hα-helixtrans-64.5-52177-17863.5000110.3F153 E154 Q159 T160 I161F153-L157 HydrophobicContact CE1-CD2 4.23Å; F153-L157 WeakPolarHBondContact O-CB 3.44Å; F153-L157 PolarHBondContact O-N 3.49Å; E154-L157 WeakPolarHBondContact O-CB 3.46Å; E154-L157 PolarHBondContact O-N 2.94Å; E154-L157 VanDerWaalsContact O-N 3.12Å; L157-Q159 VanDerWaalsContact C-N 3.35Å; L157-Q159 PolarHBondContact O-N 3.33Å; L157-T160 CarbonylContact O-C 3.47Å; L157-T160 WeakPolarHBondContact O-CA 3.2Å; L157-T160 WeakPolarHBondContact O-CB 3.46Å; L157-T160 PolarHBondContact O-N 3.37Å; L157-I161 HydrophobicContact CD1-CD1 4.1Å; L157-I161 HydrophobicContact CD1-CG1 4.35Å; L157-I161 HydrophobicContact CD2-CD1 4.48Å; L157-I161 HydrophobicContact CG-CD1 3.82Å; L157-I161 HydrophobicContact CG-CG1 4.44Å; L157-I161 WeakPolarHBondContact O-CG1 3.48Å; L157-I161 PolarHBondContact O-N 2.93Å
158D90.9Very high92.3Very high86 Ų8684.3 Ų84.346%0.4640%0.403SS..Hα-helixtrans-59.2-43.3178.4-76.3-14000112.4E154 T160 I161 M162E154-D158 WeakPolarHBondContact O-CB 3.18Å; E154-D158 PolarHBondContact O-N 3.13Å; D158-T160 VanDerWaalsContact C-N 3.29Å; D158-T160 PolarHBondContact O-N 2.86Å; D158-I161 PolarHBondContact O-N 3.03Å; D158-M162 VanDerWaalsContact O-CB 3.31Å; D158-M162 WeakPolarHBondContact O-CB 3.22Å; D158-M162 PolarHBondContact O-N 3.27Å
159Q92.4Very high92.3Very high131 Ų13186.8 Ų86.861%0.61242%0.415SS*.Hα-helixtrans-59-42.7173.7-76.6171.618.200111.6R155 L157 R163R155-Q159 WeakPolarHBondContact O-CB 3.15Å; R155-Q159 WeakPolarHBondContact O-CG 3.35Å; R155-Q159 PolarHBondContact O-N 3.2Å; R155-Q159 VanDerWaalsContact O-N 3.07Å; L157-Q159 VanDerWaalsContact C-N 3.35Å; L157-Q159 PolarHBondContact O-N 3.33Å; Q159-R163 VanDerWaalsContact O-CB 3.25Å; Q159-R163 WeakPolarHBondContact O-CB 3.18Å; Q159-R163 PolarHBondContact O-N 2.94Å
160T94.9Very high92.2Very high57 Ų5786.8 Ų86.835%0.3541%0.412SS..Hα-helixtrans-68.9-43179.3-63.60000111.6K156 L157 D158 R163 K164K156-T160 WeakPolarHBondContact O-CB 3.34Å; K156-T160 PolarHBondContact O-N 3.38Å; K156-T160 PolarHBondContact O-OG1 2.86Å; L157-T160 CarbonylContact O-C 3.47Å; L157-T160 WeakPolarHBondContact O-CA 3.2Å; L157-T160 WeakPolarHBondContact O-CB 3.46Å; L157-T160 PolarHBondContact O-N 3.37Å; D158-T160 VanDerWaalsContact C-N 3.29Å; D158-T160 PolarHBondContact O-N 2.86Å; T160-R163 PolarHBondContact O-N 3.45Å; T160-R163 PolarHBondContact OG1-NH2 2.9Å; T160-K164 HydrophobicContact CG2-CG 4.41Å; T160-K164 WeakPolarHBondContact O-CB 3.36Å; T160-K164 VanDerWaalsContact O-CG 3.31Å; T160-K164 WeakPolarHBondContact O-CG 3.34Å; T160-K164 PolarHBondContact O-N 3.01Å
161I91.3Very high91.9Very high81 Ų8183.6 Ų83.642%0.41540%0.402SS..Hα-helixtrans-61-49.2176-68.7170000109.8L157 D158 R163 K164 R165L157-I161 HydrophobicContact CD1-CD1 4.1Å; L157-I161 HydrophobicContact CD1-CG1 4.35Å; L157-I161 HydrophobicContact CD2-CD1 4.48Å; L157-I161 HydrophobicContact CG-CD1 3.82Å; L157-I161 HydrophobicContact CG-CG1 4.44Å; L157-I161 WeakPolarHBondContact O-CG1 3.48Å; L157-I161 PolarHBondContact O-N 2.93Å; D158-I161 PolarHBondContact O-N 3.03Å; I161-R163 PolarHBondContact O-N 3.34Å; I161-K164 PolarHBondContact O-N 2.99Å; I161-R165 WeakPolarHBondContact O-CB 3.32Å; I161-R165 PolarHBondContact O-N 2.93Å
162M90.7Very high91.6Very high100 Ų10084.5 Ų84.549%0.49341%0.406SS..Hα-helixtrans-63.1-44.2-179.8-174.759.9-173.900111.7D158 R165 L166D158-M162 VanDerWaalsContact O-CB 3.31Å; D158-M162 WeakPolarHBondContact O-CB 3.22Å; D158-M162 PolarHBondContact O-N 3.27Å; M162-R165 WeakPolarHBondContact O-CB 3.13Å; M162-R165 PolarHBondContact O-N 3.49Å; M162-L166 HydrophobicContact CE-CD1 4.24Å; M162-L166 HydrophobicContact CE-CD2 4.17Å; M162-L166 HydrophobicContact CE-CG 4.17Å; M162-L166 WeakPolarHBondContact O-CG 3.24Å; M162-L166 PolarHBondContact O-N 3.36Å
163R94.3Very high91.3Very high137 Ų13790.1 Ų90.152%0.51743%0.426SS..Hα-helixtrans-57.9-49.6173.3177.7178.957.9-168.1-5.6111.2Q159 T160 I161 R165 L166 D167Q159-R163 VanDerWaalsContact O-CB 3.25Å; Q159-R163 WeakPolarHBondContact O-CB 3.18Å; Q159-R163 PolarHBondContact O-N 2.94Å; T160-R163 PolarHBondContact O-N 3.45Å; T160-R163 PolarHBondContact OG1-NH2 2.9Å; I161-R163 PolarHBondContact O-N 3.34Å; R163-R165 VanDerWaalsContact C-N 3.29Å; R163-R165 PolarHBondContact O-N 2.99Å; R163-L166 PolarHBondContact O-N 3.14Å; R163-L166 VanDerWaalsContact O-N 3.14Å; R163-D167 VanDerWaalsContact O-CG 3.24Å; R163-D167 PolarHBondContact O-N 3.17Å
164K93.4Very high90.5Very high108 Ų10893 Ų9347%0.4743%0.432SS..Hα-helixtrans-63.9-34.7178.9-73.2-67.1174.2-159.80112.6T160 I161 D167 I168T160-K164 HydrophobicContact CG2-CG 4.41Å; T160-K164 WeakPolarHBondContact O-CB 3.36Å; T160-K164 VanDerWaalsContact O-CG 3.31Å; T160-K164 WeakPolarHBondContact O-CG 3.34Å; T160-K164 PolarHBondContact O-N 3.01Å; I161-K164 PolarHBondContact O-N 2.99Å; K164-D167 IonicContact NZ-OD2 3.69Å; K164-D167 PolarHBondContact O-N 3.11Å; K164-I168 WeakPolarHBondContact O-CB 3.39Å; K164-I168 WeakPolarHBondContact O-CD1 3.21Å; K164-I168 WeakPolarHBondContact O-CG1 3.32Å; K164-I168 PolarHBondContact O-N 2.81Å
165R91.3Very high89.6Confident80 Ų8093 Ų9330%0.30244%0.437SS..Hα-helixtrans-61.1-45.1172.8-165.9-177-173.1177.74.1111.3I161 M162 R163 I168 Q169 L408I161-R165 WeakPolarHBondContact O-CB 3.32Å; I161-R165 PolarHBondContact O-N 2.93Å; M162-R165 WeakPolarHBondContact O-CB 3.13Å; M162-R165 PolarHBondContact O-N 3.49Å; R163-R165 VanDerWaalsContact C-N 3.29Å; R163-R165 PolarHBondContact O-N 2.99Å; R165-I168 PolarHBondContact O-N 2.97Å; R165-Q169 WeakPolarHBondContact O-CG 3.21Å; R165-Q169 PolarHBondContact O-N 3.46Å; R165-L408 HydrophobicContact CG-CD2 3.45Å; R165-L408 VanDerWaalsContact CG-CD2 3.45Å; R165-L408 PolarHBondContact NH2-O 2.83Å; R165-L408 VanDerWaalsContact NH2-O 3.1Å
166L91.8Very high89Confident87 Ų8792.9 Ų92.946%0.45544%0.444SS..Hα-helixtrans-66.5-41.8175.6-67.6175.1000111.9M162 R163 I168 Q169 E170M162-L166 HydrophobicContact CE-CD1 4.24Å; M162-L166 HydrophobicContact CE-CD2 4.17Å; M162-L166 HydrophobicContact CE-CG 4.17Å; M162-L166 WeakPolarHBondContact O-CG 3.24Å; M162-L166 PolarHBondContact O-N 3.36Å; R163-L166 PolarHBondContact O-N 3.14Å; R163-L166 VanDerWaalsContact O-N 3.14Å; L166-I168 VanDerWaalsContact C-N 3.31Å; L166-I168 PolarHBondContact O-N 3.28Å; L166-Q169 PolarHBondContact O-N 3.33Å; L166-E170 WeakPolarHBondContact O-CB 3.47Å; L166-E170 PolarHBondContact O-N 2.9Å
167D91.8Very high88.5Confident74 Ų7488.9 Ų88.940%0.39643%0.427SS..Hα-helixtrans-57.9-44.5175-64.8-15.2000110.8R163 K164 E170 A171R163-D167 VanDerWaalsContact O-CG 3.24Å; R163-D167 PolarHBondContact O-N 3.17Å; K164-D167 IonicContact NZ-OD2 3.69Å; K164-D167 PolarHBondContact O-N 3.11Å; D167-E170 PolarHBondContact O-N 3.02Å; D167-A171 WeakPolarHBondContact O-CB 3.47Å; D167-A171 PolarHBondContact O-N 3.16Å
168I90.1Very high88.1Confident32 Ų3288 Ų8816%0.16442%0.42CS..Hα-helixtrans-64.7-44.4176.9-71.3167.2000110.9K164 R165 L166 E170 A171 L172 M404 F407 L408K164-I168 WeakPolarHBondContact O-CB 3.39Å; K164-I168 WeakPolarHBondContact O-CD1 3.21Å; K164-I168 WeakPolarHBondContact O-CG1 3.32Å; K164-I168 PolarHBondContact O-N 2.81Å; R165-I168 PolarHBondContact O-N 2.97Å; L166-I168 VanDerWaalsContact C-N 3.31Å; L166-I168 PolarHBondContact O-N 3.28Å; I168-E170 VanDerWaalsContact C-N 3.32Å; I168-E170 PolarHBondContact O-N 2.93Å; I168-A171 PolarHBondContact O-N 3.1Å; I168-L172 HydrophobicContact CG2-CD1 4.15Å; I168-L172 WeakPolarHBondContact O-CB 3.49Å; I168-L172 WeakPolarHBondContact O-CG 3.22Å; I168-L172 PolarHBondContact O-N 3.37Å; I168-M404 HydrophobicContact CB-CE 4.05Å; I168-M404 HydrophobicContact CG1-CE 3.98Å; I168-M404 HydrophobicContact CG2-CB 3.81Å; I168-M404 HydrophobicContact CG2-CE 3.75Å; I168-M404 HydrophobicContact CG2-CG 4.05Å; I168-F407 HydrophobicContact CD1-CD1 3.51Å; I168-F407 HydrophobicContact CD1-CE1 3.62Å; I168-F407 HydrophobicContact CD1-CG 4.4Å; I168-L408 HydrophobicContact CB-CD2 4.37Å; I168-L408 HydrophobicContact CG2-CD1 4.04Å; I168-L408 HydrophobicContact CG2-CD2 3.92Å; I168-L408 HydrophobicContact CG2-CG 3.87Å
169Q89.8Confident88Confident83 Ų8391 Ų9139%0.38843%0.43SS..Hα-helixtrans-60.7-41.3176-78.1-179.2-12.800112.1R165 L166 L172 K173 L408R165-Q169 WeakPolarHBondContact O-CG 3.21Å; R165-Q169 PolarHBondContact O-N 3.46Å; L166-Q169 PolarHBondContact O-N 3.33Å; Q169-L172 PolarHBondContact O-N 3.43Å; Q169-K173 PolarHBondContact O-N 2.67Å; Q169-L408 HydrophobicContact CG-CD1 3.7Å; Q169-L408 HydrophobicContact CG-CD2 3.91Å; Q169-L408 HydrophobicContact CG-CG 4.49Å
170E90.8Very high87.8Confident90 Ų9088.8 Ų88.842%0.42142%0.416SS..Hα-helixtrans-68.1-43.7176.9-173.958.1-15300111.5L166 D167 I168 L172 K173L166-E170 WeakPolarHBondContact O-CB 3.47Å; L166-E170 PolarHBondContact O-N 2.9Å; D167-E170 PolarHBondContact O-N 3.02Å; I168-E170 VanDerWaalsContact C-N 3.32Å; I168-E170 PolarHBondContact O-N 2.93Å; E170-L172 VanDerWaalsContact C-N 3.3Å; E170-L172 PolarHBondContact O-N 3.22Å; E170-K173 WeakPolarHBondContact O-CB 3.39Å; E170-K173 PolarHBondContact O-N 2.86Å; E170-K173 VanDerWaalsContact O-N 3.14Å; E170-K173 WeakPolarHBondContact OE2-CD 3.38Å; E170-K173 WeakPolarHBondContact OE2-CE 2.97Å; E170-K173 IonicContact OE2-NZ 2.67Å; E170-K173 PolarHBondContact OE2-NZ 3.34Å
171A87.2Confident87.7Confident48 Ų4890.9 Ų90.940%0.39742%0.42SS..Hα-helixtrans-60.3-39.1175.600000112D167 I168 K173 R174 M404D167-A171 WeakPolarHBondContact O-CB 3.47Å; D167-A171 PolarHBondContact O-N 3.16Å; I168-A171 PolarHBondContact O-N 3.1Å; A171-K173 PolarHBondContact O-N 3.09Å; A171-R174 CarbonylContact O-C 3.58Å; A171-R174 VanDerWaalsContact O-C 3.3Å; A171-R174 PolarHBondContact O-N 3.16Å; A171-R174 VanDerWaalsContact O-O 3.11Å; A171-M404 HydrophobicContact CB-CE 3.73Å
172L86Confident87.8Confident34 Ų3487.1 Ų87.118%0.17840%0.4CS..Hα-helixtrans-65.2-23177.4-78.7174.4000114I168 Q169 E170 R174 K401 M404 L408I168-L172 HydrophobicContact CG2-CD1 4.15Å; I168-L172 WeakPolarHBondContact O-CB 3.49Å; I168-L172 WeakPolarHBondContact O-CG 3.22Å; I168-L172 PolarHBondContact O-N 3.37Å; Q169-L172 PolarHBondContact O-N 3.43Å; E170-L172 VanDerWaalsContact C-N 3.3Å; E170-L172 PolarHBondContact O-N 3.22Å; L172-R174 PolarHBondContact O-N 3.26Å; L172-K401 HydrophobicContact CD2-CB 4.4Å; L172-K401 HydrophobicContact CD2-CG 3.91Å; L172-M404 HydrophobicContact CD1-CB 4.09Å; L172-M404 HydrophobicContact CD2-CB 3.94Å; L172-M404 HydrophobicContact CD2-SD 4.09Å; L172-M404 HydrophobicContact CG-CB 4.17Å; L172-M404 HydrophobicContact CG-SD 4.34Å; L172-L408 HydrophobicContact CD1-CD1 3.44Å; L172-L408 VanDerWaalsContact CD1-CD1 3.44Å
173K83.7Confident88Confident148 Ų14886.2 Ų86.264%0.64339%0.392SS*.THydrogen-bonded Turntrans-68.5-20.8172.5-63.8174.7-169.2164.80112.5Q169 E170 A171 P175Q169-K173 PolarHBondContact O-N 2.67Å; E170-K173 WeakPolarHBondContact O-CB 3.39Å; E170-K173 PolarHBondContact O-N 2.86Å; E170-K173 VanDerWaalsContact O-N 3.14Å; E170-K173 WeakPolarHBondContact OE2-CD 3.38Å; E170-K173 WeakPolarHBondContact OE2-CE 2.97Å; E170-K173 IonicContact OE2-NZ 2.67Å; E170-K173 PolarHBondContact OE2-NZ 3.34Å; A171-K173 PolarHBondContact O-N 3.09Å; K173-P175 VanDerWaalsContact C-CD 3.47Å; K173-P175 WeakPolarHBondContact O-CD 3.44Å
174R79.3Confident88.1Confident189 Ų18979.7 Ų79.771%0.71337%0.367SS*.SBendtrans-119.172.4178.6-60-175.2-171.5-157.81.2108.8A171 L172 I176A171-R174 CarbonylContact O-C 3.58Å; A171-R174 VanDerWaalsContact O-C 3.3Å; A171-R174 PolarHBondContact O-N 3.16Å; A171-R174 VanDerWaalsContact O-O 3.11Å; L172-R174 PolarHBondContact O-N 3.26Å; R174-I176 PolarHBondContact O-N 3Å
175P72.9Confident88.2Confident56 Ų5677.4 Ų77.436%0.36436%0.357SS..PPolyproline II helixtrans-58.3127.6-175.424.2-33.3000110.2K173 K177K173-P175 VanDerWaalsContact C-CD 3.47Å; K173-P175 WeakPolarHBondContact O-CD 3.44Å; P175-K177 PolarHBondContact O-N 3.47Å
176I78.8Confident88.4Confident110 Ų11073.6 Ų73.656%0.56434%0.343SS*.PPolyproline II helixtrans-74.4126.3176.5-55.7172000107.4R174 D398R174-I176 PolarHBondContact O-N 3Å; I176-D398 HydrophobicContact CB-CB 4.44Å; I176-D398 WeakPolarHBondContact O-CB 3.45Å; I176-D398 PolarHBondContact O-N 2.96Å
177K83.3Confident88.4Confident56 Ų5670.5 Ų70.524%0.24333%0.328CS..EExtended strand (participates in β ladder)trans-100.6138.3174.4-61-66.3-171.8158.30109.1P175 Q291 E395 V396 D397P175-K177 PolarHBondContact O-N 3.47Å; K177-Q291 WeakPolarHBondContact CE-O 3.35Å; K177-Q291 PolarHBondContact NZ-O 3.34Å; K177-E395 HydrophobicContact CB-CB 4.13Å; K177-E395 HydrophobicContact CB-CG 4.34Å; K177-V396 WeakPolarHBondContact CA-O 3.46Å; K177-D397 WeakPolarHBondContact CD-OD1 3.27Å; K177-D397 VanDerWaalsContact CE-OD1 3.26Å; K177-D397 WeakPolarHBondContact CE-OD1 3.36Å; K177-D397 IonicContact NZ-OD1 2.75Å; K177-D397 PolarHBondContact NZ-OD1 2.95Å
178Q85.2Confident88.4Confident60 Ų6067.3 Ų67.328%0.2831%0.311SS..EExtended strand (participates in β ladder)trans-105.5135172.1-62.9-176.76.900109.3E395 V396 D398Q178-E395 WeakPolarHBondContact O-CA 3.48Å; Q178-V396 PolarHBondContact N-O 2.77Å; Q178-V396 PolarHBondContact O-N 3.13Å; Q178-D398 HydrophobicContact CG-CB 4.47Å; Q178-D398 PolarHBondContact NE2-OD1 3.32Å; Q178-D398 PolarHBondContact NE2-OD2 3.46Å
179K88.1Confident88.5Confident151 Ų15168.2 Ų68.266%0.65732%0.318SS*.EExtended strand (participates in β ladder)trans-78.1130.6171.6-67.4-172.2176.9-171.40109.7V394 E395K179-V394 WeakPolarHBondContact CA-O 3.46Å; K179-E395 HydrophobicContact CG-CG 4.42Å
180R89.4Confident88.5Confident84 Ų8465.3 Ų65.332%0.31730%0.304SS..EExtended strand (participates in β ladder)trans-132.6155.3176.7-66.7-68.9179.9-163.5-4109.2L215 D218 D393 V394 V396R180-L215 HydrophobicContact CB-CD1 3.81Å; R180-L215 HydrophobicContact CB-CG 4.44Å; R180-D218 IonicContact NH1-OD2 3.65Å; R180-D393 CarbonylContact O-C 3.47Å; R180-D393 WeakPolarHBondContact O-CA 3.35Å; R180-V394 PolarHBondContact N-O 2.86Å; R180-V394 PolarHBondContact O-N 3.1Å; R180-V396 HydrophobicContact CB-CG2 4.11Å; R180-V396 HydrophobicContact CG-CB 4.47Å; R180-V396 HydrophobicContact CG-CG2 3.97Å
181K92.4Very high88.4Confident101 Ų10164 Ų6444%0.43930%0.3SS..EExtended strand (participates in β ladder)trans-86.5121.6175.6-73-178.9175.5-65.50110.2L216 I392 D393K181-L216 HydrophobicContact CB-CB 4.26Å; K181-L216 HydrophobicContact CB-CD1 3.88Å; K181-L216 HydrophobicContact CB-CG 4.35Å; K181-L216 WeakPolarHBondContact O-CB 3.3Å; K181-L216 PolarHBondContact O-N 3.18Å; K181-I392 CarbonylContact C-O 3.6Å; K181-I392 WeakPolarHBondContact CA-O 3.29Å; K181-D393 IonicContact NZ-OD1 3.42Å
182L94.2Very high88.3Confident1 Ų165.7 Ų65.71%0.00531%0.307CS..EExtended strand (participates in β ladder)trans-97.4119.7167179.166.4000107.9L215 F233 F236 F237 I392 V394L182-L215 HydrophobicContact CB-CD1 4.4Å; L182-L215 HydrophobicContact CD1-CB 4.44Å; L182-F233 HydrophobicContact CD1-CD2 4.33Å; L182-F233 HydrophobicContact CD2-CD2 4.16Å; L182-F233 HydrophobicContact CD2-CE2 4.16Å; L182-F236 HydrophobicContact CD1-CD2 4.18Å; L182-F236 HydrophobicContact CD1-CE2 4.14Å; L182-F236 HydrophobicContact CD2-CB 4.04Å; L182-F236 HydrophobicContact CD2-CD2 3.84Å; L182-F236 HydrophobicContact CD2-CG 3.97Å; L182-F237 HydrophobicContact CD2-CE2 3.87Å; L182-F237 HydrophobicContact CD2-CZ 3.73Å; L182-I392 HydrophobicContact CB-CG1 3.98Å; L182-I392 HydrophobicContact CD2-CD1 4.25Å; L182-I392 HydrophobicContact CD2-CG1 4.42Å; L182-I392 HydrophobicContact CG-CG1 4.48Å; L182-I392 PolarHBondContact N-O 3.32Å; L182-I392 PolarHBondContact O-N 3.22Å; L182-V394 HydrophobicContact CB-CB 4.47Å; L182-V394 HydrophobicContact CB-CG1 3.81Å; L182-V394 HydrophobicContact CB-CG2 3.78Å; L182-V394 HydrophobicContact CD2-CG1 3.92Å
183R95.1Very high88.2Confident82 Ų8266.7 Ų66.731%0.30932%0.32SS..EExtended strand (participates in β ladder)trans-91.3124.5175.4-177.4162.6-69172.8-0109.6F185 G213 R214 L216 Y390 D391R183-F185 HydrophobicContact CB-CE2 4.32Å; R183-F185 HydrophobicContact CB-CZ 4.34Å; R183-F185 VanDerWaalsContact CD-CZ 3.44Å; R183-F185 HydrophobicContact CG-CD2 4.48Å; R183-F185 HydrophobicContact CG-CE1 3.94Å; R183-F185 HydrophobicContact CG-CE2 3.87Å; R183-F185 HydrophobicContact CG-CZ 3.57Å; R183-G213 CarbonylContact O-C 3.29Å; R183-G213 WeakPolarHBondContact O-CA 3.35Å; R183-R214 PolarHBondContact N-O 3.43Å; R183-R214 PolarHBondContact O-N 3.15Å; R183-L216 HydrophobicContact CB-CD1 4.3Å; R183-L216 HydrophobicContact CB-CD2 3.97Å; R183-L216 HydrophobicContact CB-CG 4.07Å; R183-Y390 CarbonylContact C-O 3.58Å; R183-Y390 WeakPolarHBondContact CA-O 3.45Å; R183-D391 VanDerWaalsContact CB-OD1 3.3Å; R183-D391 WeakPolarHBondContact CB-OD1 3.28Å; R183-D391 VanDerWaalsContact CG-OD1 3.3Å; R183-D391 WeakPolarHBondContact CG-OD1 3.4Å; R183-D391 IonicContact CZ-OD1 3.23Å; R183-D391 IonicContact CZ-OD2 2.82Å; R183-D391 IonicContact NE-OD1 3.02Å; R183-D391 PolarHBondContact NE-OD1 3.45Å; R183-D391 IonicContact NE-OD2 2.58Å; R183-D391 IonicContact NH2-OD1 2.65Å; R183-D391 PolarHBondContact NH2-OD1 2.94Å; R183-D391 IonicContact NH2-OD2 2.66Å; R183-D391 PolarHBondContact NH2-OD2 3.04Å
184I95.8Very high88.1Confident0 Ų067 Ų670%032%0.322CS..EExtended strand (participates in β ladder)trans-102132.6176-60.9156.7000108.2I186 V211 E212 F233 L286 I373 C389 Y390 I392I184-I186 HydrophobicContact CG2-CG1 4.15Å; I184-V211 HydrophobicContact CG2-CG1 4.18Å; I184-E212 CarbonylContact C-O 3.59Å; I184-E212 WeakPolarHBondContact CA-O 3.48Å; I184-F233 HydrophobicContact CG1-CE2 3.86Å; I184-F233 HydrophobicContact CG1-CZ 4.29Å; I184-F233 HydrophobicContact CG2-CZ 4.45Å; I184-L286 HydrophobicContact CD1-CD1 3.51Å; I184-L286 HydrophobicContact CG1-CD1 4.49Å; I184-I373 HydrophobicContact CD1-CD1 4.39Å; I184-C389 CarbonylContact O-C 3.5Å; I184-C389 VanDerWaalsContact O-CA 3.32Å; I184-C389 WeakPolarHBondContact O-CA 3.14Å; I184-Y390 PolarHBondContact N-O 2.96Å; I184-Y390 PolarHBondContact O-N 3.3Å; I184-I392 HydrophobicContact CD1-CD1 3.77Å; I184-I392 HydrophobicContact CD1-CG1 3.96Å; I184-I392 HydrophobicContact CD1-CG2 4.04Å
185F95.4Very high87.6Confident59 Ų5963.5 Ų63.526%0.25932%0.323SS..EExtended strand (participates in β ladder)trans-111.5123.5175.7-58.8-82.5000108.6R183 V211 E212 R214 T387 A388 C389R183-F185 HydrophobicContact CB-CE2 4.32Å; R183-F185 HydrophobicContact CB-CZ 4.34Å; R183-F185 VanDerWaalsContact CD-CZ 3.44Å; R183-F185 HydrophobicContact CG-CD2 4.48Å; R183-F185 HydrophobicContact CG-CE1 3.94Å; R183-F185 HydrophobicContact CG-CE2 3.87Å; R183-F185 HydrophobicContact CG-CZ 3.57Å; F185-V211 WeakPolarHBondContact O-CA 3.47Å; F185-E212 HydrophobicContact CB-CB 4.4Å; F185-E212 PolarHBondContact N-O 3.25Å; F185-E212 PolarHBondContact O-N 3.48Å; F185-R214 HydrophobicContact CE2-CB 4.21Å; F185-T387 HydrophobicContact CB-CG2 3.74Å; F185-T387 HydrophobicContact CD1-CG2 3.8Å; F185-T387 HydrophobicContact CG-CG2 4.25Å; F185-A388 WeakPolarHBondContact CA-O 3.39Å; F185-C389 WeakPolarHBondContact CD1-SG 3.45Å
186I94.6Very high86.8Confident0 Ų067.9 Ų67.90%034%0.344CS..EExtended strand (participates in β ladder)trans-115.3117.8171.7-55.8-176.9000107.4I184 L209 R210 V211 V284 I373 H375 A388 Y390I184-I186 HydrophobicContact CG2-CG1 4.15Å; I186-L209 HydrophobicContact CG2-CD1 3.74Å; I186-R210 WeakPolarHBondContact CA-O 3.28Å; I186-V211 HydrophobicContact CG1-CG2 4.49Å; I186-V284 HydrophobicContact CD1-CG2 4.17Å; I186-I373 HydrophobicContact CD1-CB 4.17Å; I186-I373 HydrophobicContact CD1-CD1 4.15Å; I186-I373 HydrophobicContact CD1-CG2 3.57Å; I186-H375 HydrophobicContact CG2-CB 4.3Å; I186-A388 HydrophobicContact CB-CB 4.44Å; I186-A388 PolarHBondContact N-O 2.87Å; I186-A388 PolarHBondContact O-N 3.06Å; I186-Y390 HydrophobicContact CD1-CD2 4.31Å; I186-Y390 HydrophobicContact CD1-CE2 4.04Å; I186-Y390 HydrophobicContact CG1-CE2 4.42Å
187S92.9Very high85.7Confident23 Ų2365.3 Ų65.316%0.16134%0.339CS..EExtended strand (participates in β ladder)trans-133.8145.9178.157.40000110.3R210S187-R210 PolarHBondContact N-O 3.31Å; S187-R210 PolarHBondContact O-N 2.86Å
188N92.2Very high84.5Confident7 Ų772.7 Ų72.74%0.03737%0.374CS..EExtended strand (participates in β ladder)trans-123.9141.8173.960.4-76.7000111.4E208 L209 H375 I377 S378N188-E208 CarbonylContact C-O 3.45Å; N188-E208 WeakPolarHBondContact CA-O 3.49Å; N188-L209 HydrophobicContact CB-CD1 4.34Å; N188-H375 PolarHBondContact OD1-NE2 2.83Å; N188-I377 HydrophobicContact CB-CG2 4.13Å; N188-S378 PolarHBondContact ND2-N 3.22Å; N188-S378 PolarHBondContact ND2-O 2.98Å; N188-S378 VanDerWaalsContact ND2-O 3.07Å
189T90.6Very high83.2Confident50 Ų5077.6 Ų77.631%0.30740%0.402SS..EExtended strand (participates in β ladder)trans-121133.7174.9-52.80000108.5W207 E208T189-W207 CarbonylContact O-C 3.55Å; T189-W207 WeakPolarHBondContact O-CA 3.44Å; T189-E208 PolarHBondContact N-O 2.87Å; T189-E208 PolarHBondContact O-N 3.12Å
190F90.6Very high81.5Confident22 Ų2273.9 Ų73.910%0.09641%0.407CS..EExtended strand (participates in β ladder)trans-109.4127.1176.2173.9-107.9000110.5P192 A205 W207 G276 V379 Q384F190-P192 HydrophobicContact CE1-CB 4.04Å; F190-A205 HydrophobicContact CE2-CB 4.2Å; F190-A205 HydrophobicContact CZ-CB 4.16Å; F190-W207 HydrophobicContact CD2-CB 4.37Å; F190-G276 WeakPolarHBondContact CE2-O 3.39Å; F190-V379 HydrophobicContact CD1-CB 4.16Å; F190-V379 WeakPolarHBondContact CD1-O 3.44Å; F190-V379 HydrophobicContact CD2-CB 4.03Å; F190-V379 HydrophobicContact CD2-CG1 3.73Å; F190-V379 HydrophobicContact CE1-CB 4.25Å; F190-V379 HydrophobicContact CE2-CB 4.12Å; F190-V379 HydrophobicContact CE2-CG1 3.83Å; F190-V379 HydrophobicContact CG-CB 4.04Å; F190-V379 HydrophobicContact CG-CG1 4.21Å; F190-V379 HydrophobicContact CZ-CB 4.22Å; F190-V379 HydrophobicContact CZ-CG1 4.38Å; F190-Q384 PolarHBondContact O-NE2 2.87Å
191N88.4Confident79.9Confident63 Ų6378 Ų7834%0.33743%0.43SS..EExtended strand (participates in β ladder)trans-106.7107.1177.2-63.1-52000108.4A205 S206N191-A205 WeakPolarHBondContact O-CA 3.24Å; N191-S206 WeakPolarHBondContact CA-O 3.49Å; N191-S206 PolarHBondContact N-O 3.26Å; N191-S206 PolarHBondContact O-N 3.28Å
192P85.7Confident78.6Confident84 Ų8475.8 Ų75.855%0.54544%0.435SS..PPolyproline II helixtrans-66.5153.9178.828.1-34000111.2F190 K194F190-P192 HydrophobicContact CE1-CB 4.04Å; P192-K194 PolarHBondContact O-N 2.89Å
193A84.3Confident77.8Confident54 Ų5479.3 Ų79.345%0.44646%0.457SS..PPolyproline II helixtrans-62.7133.9173.600000110.2T203 A205A193-T203 VanDerWaalsContact CA-O 3.23Å; A193-T203 WeakPolarHBondContact CA-O 3.34Å; A193-T203 VanDerWaalsContact CB-O 3.27Å; A193-T203 WeakPolarHBondContact CB-O 3.45Å; A193-A205 HydrophobicContact CB-CB 4.12Å
194K81.4Confident77.4Confident156 Ų15680.8 Ų80.868%0.67848%0.475SS*.BIsolated β-bridgetrans-99.4119.7169.8-62.3-177.7179.8178.80109.2P192 T203P192-K194 PolarHBondContact O-N 2.89Å; K194-T203 WeakPolarHBondContact CB-OG1 3.37Å; K194-T203 PolarHBondContact N-O 3.43Å; K194-T203 PolarHBondContact N-OG1 2.82Å; K194-T203 PolarHBondContact O-N 2.95Å
195P67.8Low77.1Confident114 Ų11481.3 Ų81.374%0.7448%0.48SS*.PPolyproline II helixtrans-70.7129.1166.528.6-28.9000108.8
196D57.4Low76.9Confident148 Ų14879.1 Ų79.179%0.79147%0.471SS*.  trans54.599.4169.5-58.3-34.5000118
197A55.3Low76.8Confident56 Ų5679.1 Ų79.146%0.46347%0.471SS..  trans-81.7140.1148.400000108.1D199 G200A197-D199 PolarHBondContact O-N 3.42Å; A197-G200 PolarHBondContact O-N 3.46Å
198E57.7Low76.8Confident211 Ų21179 Ų7999%0.98647%0.468SS*.THydrogen-bonded Turntrans-58.2-5179.5-69.9-174.8143.800114.2
199D57.2Low76.8Confident163 Ų16378.7 Ų78.787%0.87247%0.467SS*.THydrogen-bonded Turntrans-105.910.9175.3-74-47.5000115.2A197A197-D199 PolarHBondContact O-N 3.42Å
200G53.1Low77Confident73 Ų7380.5 Ų80.575%0.75347%0.468SS*.SBendtrans84.611.6162.100000118.5A197A197-G200 PolarHBondContact O-N 3.46Å
201E56Low77.3Confident171 Ų17179.5 Ų79.580%0.79946%0.463SS*.  trans-115.997.2170.1-117.7-177.5179.300110.8
202G64.4Low77.6Confident54 Ų5480.4 Ų80.456%0.55747%0.466SS*.PPolyproline II helixtrans-64.2142.1171.800000111.5
203T77.8Confident78Confident75 Ų7576.8 Ų76.846%0.4644%0.443SS..BIsolated β-bridgetrans-97128-179.452.80000111.3A193 K194A193-T203 VanDerWaalsContact CA-O 3.23Å; A193-T203 WeakPolarHBondContact CA-O 3.34Å; A193-T203 VanDerWaalsContact CB-O 3.27Å; A193-T203 WeakPolarHBondContact CB-O 3.45Å; K194-T203 WeakPolarHBondContact CB-OG1 3.37Å; K194-T203 PolarHBondContact N-O 3.43Å; K194-T203 PolarHBondContact N-OG1 2.82Å; K194-T203 PolarHBondContact O-N 2.95Å
204V85.8Confident78.3Confident113 Ų11381.4 Ų81.469%0.68545%0.45SS*.PPolyproline II helixtrans-76.9141.8177.1-176.40000110.2S206 P275V204-S206 PolarHBondContact O-N 2.95Å; V204-P275 HydrophobicContact CG1-CB 4.19Å
205A89.4Confident78.8Confident12 Ų1275.8 Ų75.810%0.09943%0.427CS..PPolyproline II helixtrans-56.2133.7174.500000110.4F190 N191 A193 P275 G276 D277F190-A205 HydrophobicContact CE2-CB 4.2Å; F190-A205 HydrophobicContact CZ-CB 4.16Å; N191-A205 WeakPolarHBondContact O-CA 3.24Å; A193-A205 HydrophobicContact CB-CB 4.12Å; A205-P275 WeakPolarHBondContact O-CA 3.44Å; A205-G276 PolarHBondContact O-N 3.22Å; A205-D277 HydrophobicContact CB-CB 4.05Å
206S91.6Very high79.7Confident12 Ų1272.9 Ų72.98%0.08441%0.405CS..EExtended strand (participates in β ladder)trans-146.2149.7-177.657.70000111.6N191 V204 K273 R274N191-S206 WeakPolarHBondContact CA-O 3.49Å; N191-S206 PolarHBondContact N-O 3.26Å; N191-S206 PolarHBondContact O-N 3.28Å; V204-S206 PolarHBondContact O-N 2.95Å; S206-K273 WeakPolarHBondContact OG-CE 3.44Å; S206-R274 VanDerWaalsContact CA-O 3.31Å; S206-R274 WeakPolarHBondContact CA-O 3.24Å; S206-R274 VanDerWaalsContact CB-O 3.31Å; S206-R274 WeakPolarHBondContact CB-O 3.46Å
207W92.3Very high80.7Confident1 Ų170.3 Ų70.30%0.00439%0.388CS..EExtended strand (participates in β ladder)trans-112.2157.7170.256.2-100.3000110.3T189 F190 L209 L244 Y249 V272 K273 R274 I377T189-W207 CarbonylContact O-C 3.55Å; T189-W207 WeakPolarHBondContact O-CA 3.44Å; F190-W207 HydrophobicContact CD2-CB 4.37Å; W207-L209 HydrophobicContact CE3-CB 4.31Å; W207-L209 HydrophobicContact CZ3-CB 3.96Å; W207-L244 HydrophobicContact CH2-CD1 3.75Å; W207-L244 HydrophobicContact CH2-CD2 3.78Å; W207-L244 HydrophobicContact CH2-CG 4.45Å; W207-L244 HydrophobicContact CZ2-CD1 3.92Å; W207-L244 HydrophobicContact CZ2-CD2 4.23Å; W207-Y249 HydrophobicContact CZ2-CE2 4.16Å; W207-Y249 AromaticContact CZ2-CZ 3.92Å; W207-Y249 AromaticContact NE1-CZ 3.88Å; W207-Y249 PolarHBondContact NE1-OH 3.36Å; W207-V272 HydrophobicContact CH2-CG1 4.44Å; W207-V272 HydrophobicContact CZ3-CG1 4.33Å; W207-K273 WeakPolarHBondContact O-CA 3.49Å; W207-K273 WeakPolarHBondContact O-CG 3.36Å; W207-R274 HydrophobicContact CD2-CB 4.4Å; W207-R274 HydrophobicContact CH2-CB 3.87Å; W207-R274 HydrophobicContact CH2-CG 3.73Å; W207-R274 HydrophobicContact CZ2-CB 3.49Å; W207-R274 VanDerWaalsContact CZ2-CB 3.49Å; W207-R274 HydrophobicContact CZ2-CG 3.77Å; W207-R274 HydrophobicContact CZ3-CB 4.46Å; W207-R274 HydrophobicContact CZ3-CG 4.46Å; W207-R274 PolarHBondContact N-O 3.48Å; W207-R274 PolarHBondContact O-N 3.39Å; W207-R274 VanDerWaalsContact O-N 3.11Å; W207-I377 HydrophobicContact CB-CG2 3.83Å; W207-I377 HydrophobicContact CD2-CD1 4.05Å; W207-I377 HydrophobicContact CD2-CG2 4.05Å; W207-I377 HydrophobicContact CE3-CD1 3.76Å; W207-I377 HydrophobicContact CE3-CG2 4.34Å; W207-I377 HydrophobicContact CG-CG2 3.84Å; W207-I377 HydrophobicContact CH2-CD1 3.82Å; W207-I377 HydrophobicContact CZ2-CD1 4.07Å; W207-I377 HydrophobicContact CZ3-CD1 3.66Å
208E92.9Very high81.1Confident20 Ų2072.1 Ų72.19%0.09339%0.39CS..EExtended strand (participates in β ladder)trans-131.1124.6177.7-176.8-177.2139.100109.1N188 T189 R210 Q271 V272N188-E208 CarbonylContact C-O 3.45Å; N188-E208 WeakPolarHBondContact CA-O 3.49Å; T189-E208 PolarHBondContact N-O 2.87Å; T189-E208 PolarHBondContact O-N 3.12Å; E208-R210 IonicContact OE1-CZ 3.92Å; E208-R210 IonicContact OE1-NE 3.75Å; E208-R210 PolarHBondContact OE1-NE 2.92Å; E208-R210 IonicContact OE1-NH2 3.17Å; E208-R210 PolarHBondContact OE1-NH2 3.39Å; E208-Q271 HydrophobicContact CG-CG 3.71Å; E208-Q271 WeakPolarHBondContact OE1-CG 3.35Å; E208-Q271 PolarHBondContact OE1-NE2 3.45Å; E208-Q271 PolarHBondContact OE2-NE2 3Å; E208-Q271 VanDerWaalsContact OE2-NE2 3.11Å; E208-V272 CarbonylContact C-O 3.54Å; E208-V272 WeakPolarHBondContact CA-O 3.46Å
209L94Very high81.1Confident1 Ų168.8 Ų68.81%0.00538%0.384CS..EExtended strand (participates in β ladder)trans-104.8129.8173.6-178.269.6000108.9I186 N188 W207 V211 I242 Q271 V272 I377I186-L209 HydrophobicContact CG2-CD1 3.74Å; N188-L209 HydrophobicContact CB-CD1 4.34Å; W207-L209 HydrophobicContact CE3-CB 4.31Å; W207-L209 HydrophobicContact CZ3-CB 3.96Å; L209-V211 HydrophobicContact CD2-CG2 4.5Å; L209-V211 HydrophobicContact CG-CG2 4.46Å; L209-I242 HydrophobicContact CD2-CD1 4.25Å; L209-I242 HydrophobicContact CD2-CG2 4.06Å; L209-Q271 WeakPolarHBondContact O-CA 3.31Å; L209-V272 PolarHBondContact N-O 3.34Å; L209-V272 PolarHBondContact O-N 2.99Å; L209-I377 HydrophobicContact CD1-CG1 4.35Å
210R94.6Very high81.1Confident88 Ų8865.5 Ų65.533%0.33238%0.379SS..EExtended strand (participates in β ladder)trans-115.3127.7172.2-65.2-174.5-176.9-146.5-3.5110.2I186 S187 E208 E212 F270 Q271I186-R210 WeakPolarHBondContact CA-O 3.28Å; S187-R210 PolarHBondContact N-O 3.31Å; S187-R210 PolarHBondContact O-N 2.86Å; E208-R210 IonicContact OE1-CZ 3.92Å; E208-R210 IonicContact OE1-NE 3.75Å; E208-R210 PolarHBondContact OE1-NE 2.92Å; E208-R210 IonicContact OE1-NH2 3.17Å; E208-R210 PolarHBondContact OE1-NH2 3.39Å; R210-E212 HydrophobicContact CB-CG 4.47Å; R210-F270 WeakPolarHBondContact CA-O 3.46Å; R210-Q271 HydrophobicContact CG-CB 4.47Å; R210-Q271 HydrophobicContact CG-CG 4.17Å
211V95.9Very high81.2Confident0 Ų067.6 Ų67.60%038%0.377CS..EExtended strand (participates in β ladder)trans-116102.7171-176.20000107.1I184 F185 I186 L209 F233 L240 I242 G269 F270 V284I184-V211 HydrophobicContact CG2-CG1 4.18Å; F185-V211 WeakPolarHBondContact O-CA 3.47Å; I186-V211 HydrophobicContact CG1-CG2 4.49Å; L209-V211 HydrophobicContact CD2-CG2 4.5Å; L209-V211 HydrophobicContact CG-CG2 4.46Å; V211-F233 HydrophobicContact CG1-CE1 4.17Å; V211-F233 HydrophobicContact CG1-CZ 4.19Å; V211-L240 HydrophobicContact CG1-CD1 4.3Å; V211-I242 HydrophobicContact CG2-CD1 4.4Å; V211-G269 CarbonylContact O-C 3.57Å; V211-G269 WeakPolarHBondContact O-CA 3.38Å; V211-F270 PolarHBondContact N-O 2.87Å; V211-F270 PolarHBondContact O-N 3.11Å; V211-V284 HydrophobicContact CG2-CG1 4.41Å; V211-V284 HydrophobicContact CG2-CG2 4.42Å
212E94.9Very high80.9Confident82 Ų8262.1 Ų62.138%0.38336%0.358SS..EExtended strand (participates in β ladder)trans-115.1162.5-178.9-59.4-175.8167.400109.9I184 F185 R210 D268I184-E212 CarbonylContact C-O 3.59Å; I184-E212 WeakPolarHBondContact CA-O 3.48Å; F185-E212 HydrophobicContact CB-CB 4.4Å; F185-E212 PolarHBondContact N-O 3.25Å; F185-E212 PolarHBondContact O-N 3.48Å; R210-E212 HydrophobicContact CB-CG 4.47Å; E212-D268 WeakPolarHBondContact CA-O 3.42Å
213G93.6Very high80.1Confident8 Ų869 Ų698%0.08237%0.372CS..EExtended strand (participates in β ladder)trans-156.6159169.300000115.1R183 D268R183-G213 CarbonylContact O-C 3.29Å; R183-G213 WeakPolarHBondContact O-CA 3.35Å; G213-D268 PolarHBondContact N-O 2.85Å
214R91.7Very high78.9Confident152 Ų15276.1 Ų76.157%0.57439%0.393SS*.EExtended strand (participates in β ladder)trans-143.8129.7-175.3-177.6174.2172.1174.8-3110.5R183 F185 L216R183-R214 PolarHBondContact N-O 3.43Å; R183-R214 PolarHBondContact O-N 3.15Å; F185-R214 HydrophobicContact CE2-CB 4.21Å; R214-L216 PolarHBondContact O-N 2.99Å
215L90.7Very high77.2Confident38 Ų3875.9 Ų75.920%0.19938%0.384CS..EExtended strand (participates in β ladder)trans-67.4126172.1-165.970.6000109.1R180 L182 E217 F236 V394 V396R180-L215 HydrophobicContact CB-CD1 3.81Å; R180-L215 HydrophobicContact CB-CG 4.44Å; L182-L215 HydrophobicContact CB-CD1 4.4Å; L182-L215 HydrophobicContact CD1-CB 4.44Å; L215-E217 PolarHBondContact O-N 2.81Å; L215-F236 HydrophobicContact CD1-CE1 4.5Å; L215-F236 HydrophobicContact CD1-CZ 4.04Å; L215-F236 HydrophobicContact CD2-CZ 4.39Å; L215-V394 HydrophobicContact CD1-CG2 3.68Å; L215-V396 HydrophobicContact CD1-CG2 4.42Å; L215-V396 HydrophobicContact CD2-CG2 4.25Å
216L87.8Confident75.2Confident53 Ų5379.6 Ų79.628%0.27742%0.415SS..PPolyproline II helixtrans-76.8120.6174.7-60.1-178.3000108.7K181 R183 R214K181-L216 HydrophobicContact CB-CB 4.26Å; K181-L216 HydrophobicContact CB-CD1 3.88Å; K181-L216 HydrophobicContact CB-CG 4.35Å; K181-L216 WeakPolarHBondContact O-CB 3.3Å; K181-L216 PolarHBondContact O-N 3.18Å; R183-L216 HydrophobicContact CB-CD1 4.3Å; R183-L216 HydrophobicContact CB-CD2 3.97Å; R183-L216 HydrophobicContact CB-CG 4.07Å; R214-L216 PolarHBondContact O-N 2.99Å
217E77Confident73.1Confident93 Ų9385.8 Ų85.844%0.43545%0.452SS..PPolyproline II helixtrans-85.8140.8172.9-72.2173.2-144.600109.7L215 T219 S222 K230L215-E217 PolarHBondContact O-N 2.81Å; E217-T219 PolarHBondContact O-N 3.02Å; E217-S222 PolarHBondContact OE2-OG 2.76Å; E217-K230 WeakPolarHBondContact OE1-CE 3.47Å; E217-K230 IonicContact OE1-NZ 3.92Å; E217-K230 PolarHBondContact OE1-NZ 3.17Å
218D64.8Low71.4Confident95 Ų9591.8 Ų91.851%0.50848%0.478SS..PPolyproline II helixtrans-73.4116.2175.8-150.4-18000109R180 A220 V221R180-D218 IonicContact NH1-OD2 3.65Å; D218-A220 PolarHBondContact O-N 3.28Å; D218-V221 PolarHBondContact O-N 3.37Å
219T57.6Low69.7Low141 Ų141100.2 Ų100.287%0.86552%0.518SS*.THydrogen-bonded Turntrans-66.4-12.2-165-20.50000112.9E217E217-T219 PolarHBondContact O-N 3.02Å
220A56.2Low68.7Low93 Ų93105.9 Ų105.977%0.76954%0.542SS*.THydrogen-bonded Turntrans-79.7-13.9-179.500000114.8D218D218-A220 PolarHBondContact O-N 3.28Å
221V55.8Low68.3Low118 Ų118107.1 Ų107.172%0.71555%0.547SS*.THydrogen-bonded Turntrans-114.3-14.5-170.7-1700000113.8D218 K223D218-V221 PolarHBondContact O-N 3.37Å; V221-K223 PolarHBondContact O-N 3.48Å
222S49.3Very low68.1Low56 Ų56111.3 Ų111.339%0.39257%0.565SS.*THydrogen-bonded Turntrans-98.567.1-162.9-55.40000115.3E217E217-S222 PolarHBondContact OE2-OG 2.76Å
223K48.9Very low68.1Low198 Ų198107.5 Ų107.586%0.86155%0.547SS*.THydrogen-bonded Turntrans-117.1-9.9157.9-83.4-170.1179.9-179.60115.2V221V221-K223 PolarHBondContact O-N 3.48Å
224Y52Low68.1Low225 Ų225107.1 Ų107.188%0.88254%0.543SS*.SBendtrans-114.9-7.8-176.2-78.5-85.3000115.6
225E49.4Very low68.1Low107 Ų107100.6 Ų100.650%0.552%0.521SS..  trans-125.531.3-175.2-70.3-151135.100115T227 K228E225-T227 PolarHBondContact O-N 3.38Å; E225-K228 IonicContact OE1-NZ 3.65Å; E225-K228 PolarHBondContact OE1-NZ 2.96Å
226A48.2Very low68.3Low91 Ų9199.2 Ų99.275%0.75251%0.514SS*.THydrogen-bonded Turntrans-69.2-4-17800000115.2
227T47.7Very low68.6Low141 Ų14196.7 Ų96.787%0.86550%0.5SS*.THydrogen-bonded Turntrans-106.5-0.1-170.1-25.70000114.3E225E225-T227 PolarHBondContact O-N 3.38Å
228K56.5Low69.4Low127 Ų12798.4 Ų98.455%0.55251%0.506SS*.SBendtrans-86.2130.9175.7-77.6176.2-179.61650110.1E225 K230E225-K228 IonicContact OE1-NZ 3.65Å; E225-K228 PolarHBondContact OE1-NZ 2.96Å; K228-K230 PolarHBondContact O-N 2.98Å
229Q56.3Low70.9Confident197 Ų19794.4 Ų94.492%0.92149%0.486SS*.  trans-44.6110.3178.1-102.7153.6-27.100111.2R231Q229-R231 PolarHBondContact O-N 3.03Å
230K73.7Confident72.7Confident120 Ų12087.9 Ų87.952%0.52245%0.445SS..PPolyproline II helixtrans-59.5129.3173.3-67.4-175178.9-166.40108.2E217 K228 K232E217-K230 WeakPolarHBondContact OE1-CE 3.47Å; E217-K230 IonicContact OE1-NZ 3.92Å; E217-K230 PolarHBondContact OE1-NZ 3.17Å; K228-K230 PolarHBondContact O-N 2.98Å; K230-K232 PolarHBondContact O-N 3.25Å
231R85.8Confident74.7Confident115 Ų11584.1 Ų84.143%0.43441%0.413SS..PPolyproline II helixtrans-60.8130.1175-67.2-170.584.6-165.93.5108.4Q229 F236Q229-R231 PolarHBondContact O-N 3.03Å; R231-F236 HydrophobicContact CB-CE2 4.08Å; R231-F236 HydrophobicContact CB-CZ 3.88Å
232K92.1Very high76.6Confident87 Ų8778.6 Ų78.638%0.37838%0.38SS..PPolyproline II helixtrans-70.8150.2-178.2-66.7-64.8-178.2173.60111.4K230 S234 S235 E266 D268K230-K232 PolarHBondContact O-N 3.25Å; K232-S234 VanDerWaalsContact C-N 3.33Å; K232-S234 PolarHBondContact O-N 2.95Å; K232-S235 VanDerWaalsContact O-CB 3.24Å; K232-S235 WeakPolarHBondContact O-CB 3.44Å; K232-S235 PolarHBondContact O-N 2.93Å; K232-S235 PolarHBondContact O-OG 3.34Å; K232-E266 HydrophobicContact CB-CB 3.68Å; K232-E266 HydrophobicContact CG-CB 3.82Å; K232-D268 WeakPolarHBondContact CA-OD1 3.47Å; K232-D268 VanDerWaalsContact CD-CG 3.45Å; K232-D268 VanDerWaalsContact CD-OD1 3.22Å; K232-D268 WeakPolarHBondContact CD-OD1 3.48Å; K232-D268 WeakPolarHBondContact CD-OD2 3.34Å; K232-D268 IonicContact NZ-OD2 2.8Å; K232-D268 PolarHBondContact NZ-OD2 2.96Å
233F94.3Very high78.8Confident2 Ų280 Ų801%0.00938%0.38CS..G310 helixtrans-51.7-49.5178.8176.2-120.6000113L182 I184 V211 S235 F236 F237 T267 D268 F270L182-F233 HydrophobicContact CD1-CD2 4.33Å; L182-F233 HydrophobicContact CD2-CD2 4.16Å; L182-F233 HydrophobicContact CD2-CE2 4.16Å; I184-F233 HydrophobicContact CG1-CE2 3.86Å; I184-F233 HydrophobicContact CG1-CZ 4.29Å; I184-F233 HydrophobicContact CG2-CZ 4.45Å; V211-F233 HydrophobicContact CG1-CE1 4.17Å; V211-F233 HydrophobicContact CG1-CZ 4.19Å; F233-S235 PolarHBondContact O-N 3.19Å; F233-S235 VanDerWaalsContact O-N 3.1Å; F233-F236 WeakPolarHBondContact O-CD2 3.46Å; F233-F236 PolarHBondContact O-N 3.02Å; F233-F237 AromaticContact CD2-CE2 3.7Å; F233-F237 HydrophobicContact CD2-CE2 3.7Å; F233-F237 HydrophobicContact CD2-CZ 4.48Å; F233-F237 HydrophobicContact CE1-CE2 4.22Å; F233-F237 HydrophobicContact CE2-CD2 4.31Å; F233-F237 AromaticContact CE2-CE2 3.25Å; F233-F237 HydrophobicContact CE2-CE2 3.25Å; F233-F237 AromaticContact CE2-CZ 3.7Å; F233-F237 HydrophobicContact CE2-CZ 3.7Å; F233-F237 HydrophobicContact CG-CE2 4.36Å; F233-F237 HydrophobicContact CZ-CD2 4.32Å; F233-F237 AromaticContact CZ-CE2 3.55Å; F233-F237 HydrophobicContact CZ-CE2 3.55Å; F233-F237 HydrophobicContact CZ-CZ 4Å; F233-F237 VanDerWaalsContact O-CD2 3.31Å; F233-F237 WeakPolarHBondContact O-CD2 3.39Å; F233-F237 WeakPolarHBondContact O-CE2 3.25Å; F233-T267 PolarHBondContact N-O 2.91Å; F233-D268 VanDerWaalsContact CB-C 3.48Å; F233-D268 VanDerWaalsContact CB-O 3.26Å; F233-D268 WeakPolarHBondContact CB-O 3.48Å; F233-D268 PolarHBondContact N-OD1 2.71Å; F233-F270 HydrophobicContact CD1-CD2 4.26Å; F233-F270 HydrophobicContact CD1-CE2 4.1Å; F233-F270 HydrophobicContact CE1-CD2 4.04Å; F233-F270 HydrophobicContact CE1-CE2 4.06Å
234S94.4Very high80.9Confident0 Ų070.7 Ų70.70%034%0.34CS..G310 helixtrans-59.1-28.2-178.960.20000112.3K232 F236 F237 R260 E266 T267K232-S234 VanDerWaalsContact C-N 3.33Å; K232-S234 PolarHBondContact O-N 2.95Å; S234-F236 PolarHBondContact O-N 2.81Å; S234-F237 PolarHBondContact O-N 3.01Å; S234-R260 PolarHBondContact O-NH2 3.5Å; S234-E266 VanDerWaalsContact C-OE2 3.29Å; S234-E266 WeakPolarHBondContact CB-OE2 3.34Å; S234-E266 WeakPolarHBondContact OG-CA 3.36Å; S234-E266 PolarHBondContact OG-OE2 3.45Å; S234-T267 PolarHBondContact N-O 3.34Å; S234-T267 PolarHBondContact OG-N 3.02Å; S234-T267 PolarHBondContact OG-O 3.48Å
235S92.4Very high82.8Confident15 Ų1561.4 Ų61.411%0.10531%0.305CS..G310 helixtrans-61.7-13.8-175.379.50000115.1K232 F233 E266K232-S235 VanDerWaalsContact O-CB 3.24Å; K232-S235 WeakPolarHBondContact O-CB 3.44Å; K232-S235 PolarHBondContact O-N 2.93Å; K232-S235 PolarHBondContact O-OG 3.34Å; F233-S235 PolarHBondContact O-N 3.19Å; F233-S235 VanDerWaalsContact O-N 3.1Å; S235-E266 VanDerWaalsContact CA-OE2 3.25Å; S235-E266 WeakPolarHBondContact CA-OE2 3.33Å; S235-E266 PolarHBondContact N-OE2 3.3Å
236F93.7Very high84.8Confident10 Ų1062 Ų624%0.04431%0.306CS..G310 helixtrans-94.8-9.3178.8-62-79.7000113.6L182 L215 R231 F233 S234 L288 D289 V394 V396L182-F236 HydrophobicContact CD1-CD2 4.18Å; L182-F236 HydrophobicContact CD1-CE2 4.14Å; L182-F236 HydrophobicContact CD2-CB 4.04Å; L182-F236 HydrophobicContact CD2-CD2 3.84Å; L182-F236 HydrophobicContact CD2-CG 3.97Å; L215-F236 HydrophobicContact CD1-CE1 4.5Å; L215-F236 HydrophobicContact CD1-CZ 4.04Å; L215-F236 HydrophobicContact CD2-CZ 4.39Å; R231-F236 HydrophobicContact CB-CE2 4.08Å; R231-F236 HydrophobicContact CB-CZ 3.88Å; F233-F236 WeakPolarHBondContact O-CD2 3.46Å; F233-F236 PolarHBondContact O-N 3.02Å; S234-F236 PolarHBondContact O-N 2.81Å; F236-L288 WeakPolarHBondContact O-CA 3.45Å; F236-L288 WeakPolarHBondContact O-CD2 3.25Å; F236-D289 PolarHBondContact O-N 2.67Å; F236-V394 HydrophobicContact CD1-CB 3.92Å; F236-V394 HydrophobicContact CD1-CG1 4.22Å; F236-V394 HydrophobicContact CD1-CG2 3.91Å; F236-V394 HydrophobicContact CE1-CB 4.24Å; F236-V394 HydrophobicContact CE1-CG2 3.76Å; F236-V394 HydrophobicContact CZ-CG2 4.43Å; F236-V396 HydrophobicContact CE1-CG2 4.16Å
237F94.8Very high86.8Confident0 Ų064.9 Ų64.90%031%0.309CS..EExtended strand (participates in β ladder)trans-120.9136.9-172.5-53.8-81.3000111.6L182 F233 S234 W258 R260 L286 M287 L288 I392L182-F237 HydrophobicContact CD2-CE2 3.87Å; L182-F237 HydrophobicContact CD2-CZ 3.73Å; F233-F237 AromaticContact CD2-CE2 3.7Å; F233-F237 HydrophobicContact CD2-CE2 3.7Å; F233-F237 HydrophobicContact CD2-CZ 4.48Å; F233-F237 HydrophobicContact CE1-CE2 4.22Å; F233-F237 HydrophobicContact CE2-CD2 4.31Å; F233-F237 AromaticContact CE2-CE2 3.25Å; F233-F237 HydrophobicContact CE2-CE2 3.25Å; F233-F237 AromaticContact CE2-CZ 3.7Å; F233-F237 HydrophobicContact CE2-CZ 3.7Å; F233-F237 HydrophobicContact CG-CE2 4.36Å; F233-F237 HydrophobicContact CZ-CD2 4.32Å; F233-F237 AromaticContact CZ-CE2 3.55Å; F233-F237 HydrophobicContact CZ-CE2 3.55Å; F233-F237 HydrophobicContact CZ-CZ 4Å; F233-F237 VanDerWaalsContact O-CD2 3.31Å; F233-F237 WeakPolarHBondContact O-CD2 3.39Å; F233-F237 WeakPolarHBondContact O-CE2 3.25Å; S234-F237 PolarHBondContact O-N 3.01Å; F237-W258 HydrophobicContact CB-CZ3 4.32Å; F237-R260 PolarHBondContact O-NE 3.4Å; F237-R260 PolarHBondContact O-NH2 3.49Å; F237-L286 HydrophobicContact CD1-CB 3.87Å; F237-L286 HydrophobicContact CD1-CD2 4.43Å; F237-L286 HydrophobicContact CE1-CB 3.69Å; F237-L286 HydrophobicContact CE1-CD1 4.19Å; F237-L286 HydrophobicContact CE1-CD2 4.31Å; F237-L286 HydrophobicContact CE1-CG 4.29Å; F237-L286 HydrophobicContact CZ-CD1 4.42Å; F237-M287 CarbonylContact C-O 3.1Å; F237-M287 VanDerWaalsContact CA-O 3.26Å; F237-M287 WeakPolarHBondContact CA-O 3.29Å; F237-M287 WeakPolarHBondContact CB-O 3.31Å; F237-L288 HydrophobicContact CD1-CD2 3.83Å; F237-L288 HydrophobicContact CD1-CG 4.45Å; F237-L288 HydrophobicContact CE1-CD2 3.55Å; F237-L288 HydrophobicContact CE1-CG 4.33Å; F237-L288 HydrophobicContact CZ-CD2 4.29Å; F237-I392 HydrophobicContact CE1-CD1 4.17Å; F237-I392 HydrophobicContact CZ-CD1 4.11Å
238K94.5Very high88.7Confident129 Ų12962.4 Ų62.456%0.56129%0.29SS*.EExtended strand (participates in β ladder)trans-78.5-37.1171.4-178.7-179.3176.7-174.30110.3R260 M287 D289K238-R260 WeakPolarHBondContact O-CB 3.34Å; K238-R260 PolarHBondContact O-N 3.38Å; K238-M287 PolarHBondContact N-O 3.35Å; K238-D289 HydrophobicContact CB-CB 4.1Å
239S95.4Very high90.2Very high11 Ų1158.1 Ų58.18%0.07727%0.271CS..EExtended strand (participates in β ladder)trans-155.9159.3174.846.30000111.6W258 M287S239-W258 CarbonylContact C-O 3.56Å; S239-W258 WeakPolarHBondContact CA-O 3.14Å; S239-W258 WeakPolarHBondContact CB-O 3.37Å; S239-M287 PolarHBondContact N-O 3.13Å; S239-M287 WeakPolarHBondContact O-CB 3.38Å; S239-M287 PolarHBondContact O-N 2.95Å; S239-M287 WeakPolarHBondContact OG-CB 3.34Å; S239-M287 WeakPolarHBondContact OG-CE 3.38Å
240L96.1Very high91.7Very high3 Ų349.9 Ų49.92%0.01624%0.238CC..EExtended strand (participates in β ladder)trans-134.2132.1175.4175.6156.7000107.4V211 I242 W258 F270 L285 L286V211-L240 HydrophobicContact CG1-CD1 4.3Å; L240-I242 HydrophobicContact CD2-CD1 3.87Å; L240-I242 HydrophobicContact CD2-CG1 3.74Å; L240-W258 HydrophobicContact CB-CE3 4.18Å; L240-W258 PolarHBondContact N-O 3.36Å; L240-W258 PolarHBondContact O-N 3.33Å; L240-F270 HydrophobicContact CD1-CD2 3.56Å; L240-F270 HydrophobicContact CD1-CE2 3.84Å; L240-F270 HydrophobicContact CD1-CG 4.24Å; L240-L285 WeakPolarHBondContact CA-O 3.34Å; L240-L286 HydrophobicContact CB-CD2 4.29Å; L240-L286 HydrophobicContact CD1-CD2 3.47Å; L240-L286 VanDerWaalsContact CD1-CD2 3.47Å; L240-L286 HydrophobicContact CG-CD2 3.78Å
241V96.5Very high92.2Very high15 Ų1548.3 Ų48.39%0.09124%0.24CC..EExtended strand (participates in β ladder)trans-127.4131.3176.3174.50000108.6L255 V256 E257 L285 M287V241-L255 HydrophobicContact CG1-CD2 4.06Å; V241-V256 CarbonylContact C-O 3.55Å; V241-V256 WeakPolarHBondContact CA-O 3.4Å; V241-E257 HydrophobicContact CG1-CG 4.25Å; V241-E257 HydrophobicContact CG2-CB 4.14Å; V241-E257 HydrophobicContact CG2-CG 3.92Å; V241-L285 HydrophobicContact CB-CB 4.29Å; V241-L285 HydrophobicContact CG1-CD1 4.42Å; V241-L285 PolarHBondContact N-O 2.71Å; V241-L285 PolarHBondContact O-N 3.17Å; V241-M287 HydrophobicContact CB-CE 4.24Å; V241-M287 HydrophobicContact CG2-CE 3.62Å
242I95.9Very high92.2Very high2 Ų249.6 Ų49.61%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-112.2113.3171.8-61.2161.9000106.8L209 V211 L240 L244 V256 V272 C282 T283 V284L209-I242 HydrophobicContact CD2-CD1 4.25Å; L209-I242 HydrophobicContact CD2-CG2 4.06Å; V211-I242 HydrophobicContact CG2-CD1 4.4Å; L240-I242 HydrophobicContact CD2-CD1 3.87Å; L240-I242 HydrophobicContact CD2-CG1 3.74Å; I242-L244 HydrophobicContact CG2-CD2 3.94Å; I242-V256 HydrophobicContact CB-CB 4.32Å; I242-V256 PolarHBondContact N-O 3.11Å; I242-V256 PolarHBondContact O-N 3.19Å; I242-V272 HydrophobicContact CD1-CG2 3.73Å; I242-C282 HydrophobicContact CG2-CB 4.37Å; I242-T283 WeakPolarHBondContact CA-O 3.47Å; I242-V284 HydrophobicContact CG1-CG1 4.33Å; I242-V284 HydrophobicContact CG1-CG2 4.31Å
243E95.7Very high92Very high84 Ų8449.4 Ų49.439%0.39326%0.259SS..EExtended strand (participates in β ladder)trans-96.1121.9173.7-176-178.1-179.400108.8L255 C282 T283 L285E243-L255 HydrophobicContact CB-CD2 3.87Å; E243-L255 HydrophobicContact CG-CD2 3.92Å; E243-C282 CarbonylContact O-C 3.56Å; E243-C282 WeakPolarHBondContact O-CA 3.46Å; E243-C282 WeakPolarHBondContact O-CB 3.48Å; E243-T283 PolarHBondContact N-O 3.39Å; E243-T283 PolarHBondContact O-N 3.02Å; E243-L285 HydrophobicContact CB-CD1 4.46Å
244L94.4Very high91.8Very high4 Ų450.2 Ų50.22%0.02126%0.263CS..EExtended strand (participates in β ladder)trans-99.2168.7174.7-54.1175.4000109.5W207 I242 K246 Y249 H254 R274 V280 C282 I377W207-L244 HydrophobicContact CH2-CD1 3.75Å; W207-L244 HydrophobicContact CH2-CD2 3.78Å; W207-L244 HydrophobicContact CH2-CG 4.45Å; W207-L244 HydrophobicContact CZ2-CD1 3.92Å; W207-L244 HydrophobicContact CZ2-CD2 4.23Å; I242-L244 HydrophobicContact CG2-CD2 3.94Å; L244-K246 PolarHBondContact O-N 2.88Å; L244-K246 VanDerWaalsContact O-N 3.11Å; L244-Y249 HydrophobicContact CB-CD2 4.03Å; L244-Y249 HydrophobicContact CD1-CD2 4.11Å; L244-Y249 HydrophobicContact CD1-CE2 4.35Å; L244-Y249 HydrophobicContact CD1-CG 4.38Å; L244-H254 HydrophobicContact CB-CB 4.45Å; L244-H254 WeakPolarHBondContact CB-O 3.47Å; L244-H254 PolarHBondContact N-O 3.07Å; L244-R274 HydrophobicContact CD1-CG 4.43Å; L244-V280 HydrophobicContact CB-CG1 4.33Å; L244-V280 HydrophobicContact CD2-CG1 4.38Å; L244-C282 HydrophobicContact CD2-CB 3.64Å; L244-I377 HydrophobicContact CD2-CD1 4.35Å
245D91.9Very high91.8Very high30 Ų3053.4 Ų53.416%0.1628%0.279CS..PPolyproline II helixtrans-60.2116.4175.8-158.5-47.8000111.3D247 L248 Y249 V280 R281D245-D247 VanDerWaalsContact C-N 3.26Å; D245-D247 PolarHBondContact O-N 2.91Å; D245-D247 PolarHBondContact OD1-N 3.4Å; D245-D247 VanDerWaalsContact OD1-N 3.15Å; D245-L248 HydrophobicContact CB-CB 4.43Å; D245-L248 HydrophobicContact CB-CD1 4.13Å; D245-L248 PolarHBondContact O-N 3.45Å; D245-Y249 PolarHBondContact O-N 2.81Å; D245-V280 HydrophobicContact CB-CG1 4.35Å; D245-R281 PolarHBondContact N-O 2.94Å; D245-R281 IonicContact OD2-CZ 3.83Å; D245-R281 IonicContact OD2-NE 3.32Å; D245-R281 IonicContact OD2-NH2 2.7Å; D245-R281 PolarHBondContact OD2-NH2 3.09Å; D245-R281 VanDerWaalsContact OD2-NH2 3.17Å
246K91.1Very high91.9Very high119 Ų11954.4 Ų54.452%0.51729%0.285SS..Hα-helixtrans-64.3-31.4-175-174.9178.9177.9-178.60112.3L244 L248 G250L244-K246 PolarHBondContact O-N 2.88Å; L244-K246 VanDerWaalsContact O-N 3.11Å; K246-L248 VanDerWaalsContact C-N 3.3Å; K246-G250 VanDerWaalsContact O-CA 3.23Å; K246-G250 WeakPolarHBondContact O-CA 3.27Å; K246-G250 PolarHBondContact O-N 3.05Å
247D89.5Confident91.9Very high152 Ų15259.5 Ų59.581%0.81331%0.309SS*.Hα-helixtrans-73.5-27.3-178.4-64.1-29.2000111.3D245D245-D247 VanDerWaalsContact C-N 3.26Å; D245-D247 PolarHBondContact O-N 2.91Å; D245-D247 PolarHBondContact OD1-N 3.4Å; D245-D247 VanDerWaalsContact OD1-N 3.15Å
248L88.6Confident92Very high88 Ų8861.7 Ų61.746%0.46132%0.317SS..Hα-helixtrans-83.7-41.4178.3-85.470.6000112.8D245 K246 V280D245-L248 HydrophobicContact CB-CB 4.43Å; D245-L248 HydrophobicContact CB-CD1 4.13Å; D245-L248 PolarHBondContact O-N 3.45Å; K246-L248 VanDerWaalsContact C-N 3.3Å; L248-V280 HydrophobicContact CD2-CG2 4.01Å
249Y87.6Confident92Very high38 Ų3860.4 Ų60.415%0.14931%0.313CS..Hα-helixtrans-106.4-5-172-71.1-77.4000114.2W207 L244 D245 N253 R274 P275 V280W207-Y249 HydrophobicContact CZ2-CE2 4.16Å; W207-Y249 AromaticContact CZ2-CZ 3.92Å; W207-Y249 AromaticContact NE1-CZ 3.88Å; W207-Y249 PolarHBondContact NE1-OH 3.36Å; L244-Y249 HydrophobicContact CB-CD2 4.03Å; L244-Y249 HydrophobicContact CD1-CD2 4.11Å; L244-Y249 HydrophobicContact CD1-CE2 4.35Å; L244-Y249 HydrophobicContact CD1-CG 4.38Å; D245-Y249 PolarHBondContact O-N 2.81Å; Y249-N253 WeakPolarHBondContact O-CB 3.44Å; Y249-R274 HydrophobicContact CE1-CB 4.06Å; Y249-R274 HydrophobicContact CE1-CG 4.48Å; Y249-P275 PolarHBondContact OH-O 2.93Å; Y249-V280 HydrophobicContact CD2-CG1 4.48Å; Y249-V280 HydrophobicContact CE2-CG1 3.89Å; Y249-V280 HydrophobicContact CE2-CG2 3.89Å
250G87.4Confident91.9Very high24 Ų2462.9 Ų62.925%0.24732%0.321CS..Hα-helixtrans71.3174-178.200000113.4K246 D252 H254K246-G250 VanDerWaalsContact O-CA 3.23Å; K246-G250 WeakPolarHBondContact O-CA 3.27Å; K246-G250 PolarHBondContact O-N 3.05Å; G250-D252 VanDerWaalsContact C-N 3.25Å; G250-D252 PolarHBondContact O-N 3.27Å; G250-H254 WeakPolarHBondContact O-CB 3.42Å; G250-H254 PolarHBondContact O-N 3.04Å; G250-H254 PolarHBondContact O-ND1 3.37Å; G250-H254 VanDerWaalsContact O-ND1 3.09Å
251P84.9Confident91.7Very high86 Ų8666.4 Ų66.456%0.55834%0.342SS*.Hα-helixtrans-64.6-26-172.226.7-35000113.8H254P251-H254 VanDerWaalsContact C-ND1 3.35Å; P251-H254 PolarHBondContact O-CE1 2.88Å; P251-H254 PolarHBondContact O-ND1 3.24Å
252D85.1Confident91.4Very high142 Ų14271.2 Ų71.276%0.75938%0.384SS*.Hα-helixtrans-96.8-22.4-172.3-57.6-39.5000113.7G250G250-D252 VanDerWaalsContact C-N 3.25Å; G250-D252 PolarHBondContact O-N 3.27Å
253N87.5Confident91.1Very high84 Ų8477.2 Ų77.245%0.44942%0.42SS..Hα-helixtrans-112.3-6-174.8-59-62.2000114.7Y249 L255Y249-N253 WeakPolarHBondContact O-CB 3.44Å; N253-L255 VanDerWaalsContact C-N 3.28Å; N253-L255 PolarHBondContact O-N 3.12Å
254H90.2Very high90.9Very high19 Ų1974.8 Ų74.89%0.08841%0.412CS..SBendtrans-73.8-15179.576-63000114.1L244 G250 P251L244-H254 HydrophobicContact CB-CB 4.45Å; L244-H254 WeakPolarHBondContact CB-O 3.47Å; L244-H254 PolarHBondContact N-O 3.07Å; G250-H254 WeakPolarHBondContact O-CB 3.42Å; G250-H254 PolarHBondContact O-N 3.04Å; G250-H254 PolarHBondContact O-ND1 3.37Å; G250-H254 VanDerWaalsContact O-ND1 3.09Å; P251-H254 VanDerWaalsContact C-ND1 3.35Å; P251-H254 PolarHBondContact O-CE1 2.88Å; P251-H254 PolarHBondContact O-ND1 3.24Å
255L93.9Very high90.8Very high66 Ų6682.8 Ų82.835%0.34645%0.449SS..EExtended strand (participates in β ladder)trans-109.8135.2179.8-69.4168.2000111.5V241 E243 N253V241-L255 HydrophobicContact CG1-CD2 4.06Å; E243-L255 HydrophobicContact CB-CD2 3.87Å; E243-L255 HydrophobicContact CG-CD2 3.92Å; N253-L255 VanDerWaalsContact C-N 3.28Å; N253-L255 PolarHBondContact O-N 3.12Å
256V94.7Very high90.8Very high37 Ų3784.8 Ų84.822%0.22446%0.457CS..EExtended strand (participates in β ladder)trans-124.1114.9168.3-178.50000108.2V241 I242 V272V241-V256 CarbonylContact C-O 3.55Å; V241-V256 WeakPolarHBondContact CA-O 3.4Å; I242-V256 HydrophobicContact CB-CB 4.32Å; I242-V256 PolarHBondContact N-O 3.11Å; I242-V256 PolarHBondContact O-N 3.19Å; V256-V272 HydrophobicContact CG1-CG2 3.97Å; V256-V272 HydrophobicContact CG2-CG1 4.03Å
257E94.9Very high90.9Very high117 Ų11781.5 Ų81.555%0.54745%0.447SS..EExtended strand (participates in β ladder)trans-116.3135.3-175.4-49.3-167.7144.600111.4V241 H259V241-E257 HydrophobicContact CG1-CG 4.25Å; V241-E257 HydrophobicContact CG2-CB 4.14Å; V241-E257 HydrophobicContact CG2-CG 3.92Å; E257-H259 IonicContact OE2-CE1 3.57Å; E257-H259 PolarHBondContact OE2-CE1 2.83Å
258W95.6Very high91.1Very high45 Ų4577.8 Ų77.817%0.1743%0.427CS..EExtended strand (participates in β ladder)trans-122.6128.8168.9175.485.5000109.3F237 S239 L240 R260 T264 F270F237-W258 HydrophobicContact CB-CZ3 4.32Å; S239-W258 CarbonylContact C-O 3.56Å; S239-W258 WeakPolarHBondContact CA-O 3.14Å; S239-W258 WeakPolarHBondContact CB-O 3.37Å; L240-W258 HydrophobicContact CB-CE3 4.18Å; L240-W258 PolarHBondContact N-O 3.36Å; L240-W258 PolarHBondContact O-N 3.33Å; W258-R260 HydrophobicContact CH2-CB 3.99Å; W258-R260 HydrophobicContact CZ3-CB 4.35Å; W258-T264 HydrophobicContact CZ2-CG2 3.56Å; W258-F270 HydrophobicContact CB-CE1 4.22Å; W258-F270 AromaticContact CD1-CE1 3.65Å; W258-F270 AromaticContact CD2-CE1 3.59Å; W258-F270 HydrophobicContact CD2-CE1 3.59Å; W258-F270 AromaticContact CD2-CZ 3.56Å; W258-F270 HydrophobicContact CD2-CZ 3.56Å; W258-F270 AromaticContact CE2-CE1 3.68Å; W258-F270 AromaticContact CE2-CZ 3.69Å; W258-F270 HydrophobicContact CE3-CE1 4.24Å; W258-F270 AromaticContact CE3-CZ 3.76Å; W258-F270 HydrophobicContact CE3-CZ 3.76Å; W258-F270 HydrophobicContact CG-CD1 4.38Å; W258-F270 AromaticContact CG-CE1 3.56Å; W258-F270 HydrophobicContact CG-CE1 3.56Å; W258-F270 HydrophobicContact CG-CZ 4.03Å; W258-F270 HydrophobicContact CH2-CZ 4.16Å; W258-F270 HydrophobicContact CZ2-CE1 4.33Å; W258-F270 AromaticContact CZ2-CZ 3.96Å; W258-F270 HydrophobicContact CZ2-CZ 3.96Å; W258-F270 HydrophobicContact CZ3-CZ 4.07Å; W258-F270 AromaticContact NE1-CE1 3.7Å
259H95.4Very high91.3Very high103 Ų10374.7 Ų74.748%0.47742%0.417SS..EExtended strand (participates in β ladder)trans-122.2128.6178.4-69.592.8000109.7E257 T261E257-H259 IonicContact OE2-CE1 3.57Å; E257-H259 PolarHBondContact OE2-CE1 2.83Å; H259-T261 PolarHBondContact O-N 3.4Å
260R93.4Very high91.6Very high62 Ų6274.3 Ų74.323%0.23442%0.416CS..  trans-66.6128.6172.9176-172.6-73.5-79.8-37110S234 F237 K238 W258 E266 D289S234-R260 PolarHBondContact O-NH2 3.5Å; F237-R260 PolarHBondContact O-NE 3.4Å; F237-R260 PolarHBondContact O-NH2 3.49Å; K238-R260 WeakPolarHBondContact O-CB 3.34Å; K238-R260 PolarHBondContact O-N 3.38Å; W258-R260 HydrophobicContact CH2-CB 3.99Å; W258-R260 HydrophobicContact CZ3-CB 4.35Å; R260-E266 IonicContact CZ-OE1 2.79Å; R260-E266 VanDerWaalsContact CZ-OE1 3.23Å; R260-E266 IonicContact CZ-OE2 3.71Å; R260-E266 IonicContact NH1-OE1 3.45Å; R260-E266 PolarHBondContact NH1-OE1 2.98Å; R260-E266 IonicContact NH1-OE2 3.89Å; R260-E266 VanDerWaalsContact NH2-CD 3.32Å; R260-E266 IonicContact NH2-OE1 2.7Å; R260-E266 PolarHBondContact NH2-OE1 3.06Å; R260-E266 IonicContact NH2-OE2 2.77Å; R260-E266 PolarHBondContact NH2-OE2 3.2Å; R260-D289 IonicContact NE-OD2 3.76Å
261T92.6Very high92Very high77 Ų7778.6 Ų78.647%0.47243%0.43SS..  trans-121167169.469.40000110.5H259 T263 T264H259-T261 PolarHBondContact O-N 3.4Å; T261-T263 PolarHBondContact O-N 3.29Å; T261-T263 VanDerWaalsContact O-N 3.08Å; T261-T263 PolarHBondContact OG1-OG1 3.09Å; T261-T264 PolarHBondContact N-OG1 2.91Å; T261-T264 WeakPolarHBondContact O-CB 3.38Å; T261-T264 PolarHBondContact O-N 2.88Å; T261-T264 VanDerWaalsContact O-N 3.09Å; T261-T264 PolarHBondContact O-OG1 3.23Å; T261-T264 PolarHBondContact OG1-OG1 3.2Å
262A88.8Confident92.4Very high116 Ų11675.3 Ų75.396%0.95941%0.408SS*.THydrogen-bonded Turntrans-60.1-20.4-179.500000114.4
263T91Very high92.8Very high128 Ų12874.4 Ų74.479%0.78540%0.397SS*.THydrogen-bonded Turntrans-106.24.5-179.453.50000113.1T261 Q265T261-T263 PolarHBondContact O-N 3.29Å; T261-T263 VanDerWaalsContact O-N 3.08Å; T261-T263 PolarHBondContact OG1-OG1 3.09Å; T263-Q265 PolarHBondContact O-N 3.35Å
264T90.8Very high93Very high34 Ų3474.2 Ų74.221%0.20939%0.39CS..PPolyproline II helixtrans-66.8128.8-176.8-60.50000110.9W258 T261W258-T264 HydrophobicContact CZ2-CG2 3.56Å; T261-T264 PolarHBondContact N-OG1 2.91Å; T261-T264 WeakPolarHBondContact O-CB 3.38Å; T261-T264 PolarHBondContact O-N 2.88Å; T261-T264 VanDerWaalsContact O-N 3.09Å; T261-T264 PolarHBondContact O-OG1 3.23Å; T261-T264 PolarHBondContact OG1-OG1 3.2Å
265Q91.8Very high93.1Very high172 Ų17277 Ų7780%0.80441%0.41SS*.PPolyproline II helixtrans-76.7130.2170.6-67.9-172.410.500109.9T263T263-Q265 PolarHBondContact O-N 3.35Å
266E92.2Very high92.8Very high71 Ų7174.8 Ų74.833%0.33240%0.403SS..PPolyproline II helixtrans-77.9135.9-177.8-57.4-69.9178.200111.9K232 S234 S235 R260K232-E266 HydrophobicContact CB-CB 3.68Å; K232-E266 HydrophobicContact CG-CB 3.82Å; S234-E266 VanDerWaalsContact C-OE2 3.29Å; S234-E266 WeakPolarHBondContact CB-OE2 3.34Å; S234-E266 WeakPolarHBondContact OG-CA 3.36Å; S234-E266 PolarHBondContact OG-OE2 3.45Å; S235-E266 VanDerWaalsContact CA-OE2 3.25Å; S235-E266 WeakPolarHBondContact CA-OE2 3.33Å; S235-E266 PolarHBondContact N-OE2 3.3Å; R260-E266 IonicContact CZ-OE1 2.79Å; R260-E266 VanDerWaalsContact CZ-OE1 3.23Å; R260-E266 IonicContact CZ-OE2 3.71Å; R260-E266 IonicContact NH1-OE1 3.45Å; R260-E266 PolarHBondContact NH1-OE1 2.98Å; R260-E266 IonicContact NH1-OE2 3.89Å; R260-E266 VanDerWaalsContact NH2-CD 3.32Å; R260-E266 IonicContact NH2-OE1 2.7Å; R260-E266 PolarHBondContact NH2-OE1 3.06Å; R260-E266 IonicContact NH2-OE2 2.77Å; R260-E266 PolarHBondContact NH2-OE2 3.2Å
267T93.3Very high92.4Very high51 Ų5178.5 Ų78.531%0.31342%0.422SS..  trans-126.6159.5-176.586.40000111.1F233 S234 G269F233-T267 PolarHBondContact N-O 2.91Å; S234-T267 PolarHBondContact N-O 3.34Å; S234-T267 PolarHBondContact OG-N 3.02Å; S234-T267 PolarHBondContact OG-O 3.48Å; T267-G269 PolarHBondContact OG1-N 2.69Å; T267-G269 PolarHBondContact OG1-O 2.67Å
268D92.6Very high92.2Very high73 Ų7377.1 Ų77.139%0.3942%0.421SS..SBendtrans-90-2.4175-74.1-45.1000113.6E212 G213 K232 F233E212-D268 WeakPolarHBondContact CA-O 3.42Å; G213-D268 PolarHBondContact N-O 2.85Å; K232-D268 WeakPolarHBondContact CA-OD1 3.47Å; K232-D268 VanDerWaalsContact CD-CG 3.45Å; K232-D268 VanDerWaalsContact CD-OD1 3.22Å; K232-D268 WeakPolarHBondContact CD-OD1 3.48Å; K232-D268 WeakPolarHBondContact CD-OD2 3.34Å; K232-D268 IonicContact NZ-OD2 2.8Å; K232-D268 PolarHBondContact NZ-OD2 2.96Å; F233-D268 VanDerWaalsContact CB-C 3.48Å; F233-D268 VanDerWaalsContact CB-O 3.26Å; F233-D268 WeakPolarHBondContact CB-O 3.48Å; F233-D268 PolarHBondContact N-OD1 2.71Å
269G93.5Very high91.9Very high24 Ų2476.7 Ų76.725%0.24743%0.431CS..EExtended strand (participates in β ladder)trans-176.3168.317900000114V211 T267V211-G269 CarbonylContact O-C 3.57Å; V211-G269 WeakPolarHBondContact O-CA 3.38Å; T267-G269 PolarHBondContact OG1-N 2.69Å; T267-G269 PolarHBondContact OG1-O 2.67Å
270F95Very high91.7Very high30 Ų3071.9 Ų71.913%0.13241%0.408CS..EExtended strand (participates in β ladder)trans-122.4137.8178.2-60.4-85.5000109.4R210 V211 F233 L240 W258R210-F270 WeakPolarHBondContact CA-O 3.46Å; V211-F270 PolarHBondContact N-O 2.87Å; V211-F270 PolarHBondContact O-N 3.11Å; F233-F270 HydrophobicContact CD1-CD2 4.26Å; F233-F270 HydrophobicContact CD1-CE2 4.1Å; F233-F270 HydrophobicContact CE1-CD2 4.04Å; F233-F270 HydrophobicContact CE1-CE2 4.06Å; L240-F270 HydrophobicContact CD1-CD2 3.56Å; L240-F270 HydrophobicContact CD1-CE2 3.84Å; L240-F270 HydrophobicContact CD1-CG 4.24Å; W258-F270 HydrophobicContact CB-CE1 4.22Å; W258-F270 AromaticContact CD1-CE1 3.65Å; W258-F270 AromaticContact CD2-CE1 3.59Å; W258-F270 HydrophobicContact CD2-CE1 3.59Å; W258-F270 AromaticContact CD2-CZ 3.56Å; W258-F270 HydrophobicContact CD2-CZ 3.56Å; W258-F270 AromaticContact CE2-CE1 3.68Å; W258-F270 AromaticContact CE2-CZ 3.69Å; W258-F270 HydrophobicContact CE3-CE1 4.24Å; W258-F270 AromaticContact CE3-CZ 3.76Å; W258-F270 HydrophobicContact CE3-CZ 3.76Å; W258-F270 HydrophobicContact CG-CD1 4.38Å; W258-F270 AromaticContact CG-CE1 3.56Å; W258-F270 HydrophobicContact CG-CE1 3.56Å; W258-F270 HydrophobicContact CG-CZ 4.03Å; W258-F270 HydrophobicContact CH2-CZ 4.16Å; W258-F270 HydrophobicContact CZ2-CE1 4.33Å; W258-F270 AromaticContact CZ2-CZ 3.96Å; W258-F270 HydrophobicContact CZ2-CZ 3.96Å; W258-F270 HydrophobicContact CZ3-CZ 4.07Å; W258-F270 AromaticContact NE1-CE1 3.7Å
271Q94.3Very high91.7Very high114 Ų11476.9 Ų76.953%0.53343%0.427SS..EExtended strand (participates in β ladder)trans-124126.5-179.5-175.9-175.9-14.500108.8E208 L209 R210E208-Q271 HydrophobicContact CG-CG 3.71Å; E208-Q271 WeakPolarHBondContact OE1-CG 3.35Å; E208-Q271 PolarHBondContact OE1-NE2 3.45Å; E208-Q271 PolarHBondContact OE2-NE2 3Å; E208-Q271 VanDerWaalsContact OE2-NE2 3.11Å; L209-Q271 WeakPolarHBondContact O-CA 3.31Å; R210-Q271 HydrophobicContact CG-CB 4.47Å; R210-Q271 HydrophobicContact CG-CG 4.17Å
272V94.3Very high91.8Very high16 Ų1673.4 Ų73.410%0.09741%0.406CS..EExtended strand (participates in β ladder)trans-122.4126.9177.8-179.50000108.4W207 E208 L209 I242 V256 R274W207-V272 HydrophobicContact CH2-CG1 4.44Å; W207-V272 HydrophobicContact CZ3-CG1 4.33Å; E208-V272 CarbonylContact C-O 3.54Å; E208-V272 WeakPolarHBondContact CA-O 3.46Å; L209-V272 PolarHBondContact N-O 3.34Å; L209-V272 PolarHBondContact O-N 2.99Å; I242-V272 HydrophobicContact CD1-CG2 3.73Å; V256-V272 HydrophobicContact CG1-CG2 3.97Å; V256-V272 HydrophobicContact CG2-CG1 4.03Å; V272-R274 HydrophobicContact CG1-CG 4.41Å
273K93Very high92.1Very high123 Ų12369.6 Ų69.654%0.53537%0.371SS..EExtended strand (participates in β ladder)trans-121131.5177.4-174.8178.5179178.70109.9S206 W207S206-K273 WeakPolarHBondContact OG-CE 3.44Å; W207-K273 WeakPolarHBondContact O-CA 3.49Å; W207-K273 WeakPolarHBondContact O-CG 3.36Å
274R92.6Very high92.3Very high80 Ų8063.5 Ų63.530%0.30233%0.333SS..EExtended strand (participates in β ladder)trans-140152.1175.9-65.1-66-168.8-168.44.9110.7S206 W207 L244 Y249 V272S206-R274 VanDerWaalsContact CA-O 3.31Å; S206-R274 WeakPolarHBondContact CA-O 3.24Å; S206-R274 VanDerWaalsContact CB-O 3.31Å; S206-R274 WeakPolarHBondContact CB-O 3.46Å; W207-R274 HydrophobicContact CD2-CB 4.4Å; W207-R274 HydrophobicContact CH2-CB 3.87Å; W207-R274 HydrophobicContact CH2-CG 3.73Å; W207-R274 HydrophobicContact CZ2-CB 3.49Å; W207-R274 VanDerWaalsContact CZ2-CB 3.49Å; W207-R274 HydrophobicContact CZ2-CG 3.77Å; W207-R274 HydrophobicContact CZ3-CB 4.46Å; W207-R274 HydrophobicContact CZ3-CG 4.46Å; W207-R274 PolarHBondContact N-O 3.48Å; W207-R274 PolarHBondContact O-N 3.39Å; W207-R274 VanDerWaalsContact O-N 3.11Å; L244-R274 HydrophobicContact CD1-CG 4.43Å; Y249-R274 HydrophobicContact CE1-CB 4.06Å; Y249-R274 HydrophobicContact CE1-CG 4.48Å; V272-R274 HydrophobicContact CG1-CG 4.41Å
275P90.5Very high92.6Very high78 Ų7863.5 Ų63.551%0.50633%0.332SS..EExtended strand (participates in β ladder)trans-69.7150.217030.4-34000110.9V204 A205 Y249V204-P275 HydrophobicContact CG1-CB 4.19Å; A205-P275 WeakPolarHBondContact O-CA 3.44Å; Y249-P275 PolarHBondContact OH-O 2.93Å
276G88.1Confident92.8Very high19 Ų1955.3 Ų55.320%0.19629%0.294CS..  trans151.7146177.300000112F190 A205F190-G276 WeakPolarHBondContact CE2-O 3.39Å; A205-G276 PolarHBondContact O-N 3.22Å
277D87.3Confident93Very high116 Ų11654 Ų5462%0.6229%0.288SS*.SBendtrans-119.53.3-179.261.9-22.2000112.9A205A205-D277 HydrophobicContact CB-CB 4.05Å
278V90.4Very high93Very high88 Ų8852.9 Ų52.953%0.53328%0.28SS..SBendtrans-109.5149.4177-175.90000110V280V278-V280 WeakPolarHBondContact O-CG2 3.49Å
279G89.2Confident93Very high36 Ų3652.5 Ų52.537%0.37128%0.278SS..  trans-63.7135173.800000112.2I377G279-I377 CarbonylContact C-O 3.55Å; G279-I377 WeakPolarHBondContact CA-O 3.45Å
280V91.6Very high92.8Very high1 Ų154.3 Ų54.31%0.00628%0.278CS..EExtended strand (participates in β ladder)trans-118.3126.3-173.7-1760000109.7L244 D245 L248 Y249 V278 I377L244-V280 HydrophobicContact CB-CG1 4.33Å; L244-V280 HydrophobicContact CD2-CG1 4.38Å; D245-V280 HydrophobicContact CB-CG1 4.35Å; L248-V280 HydrophobicContact CD2-CG2 4.01Å; Y249-V280 HydrophobicContact CD2-CG1 4.48Å; Y249-V280 HydrophobicContact CE2-CG1 3.89Å; Y249-V280 HydrophobicContact CE2-CG2 3.89Å; V278-V280 WeakPolarHBondContact O-CG2 3.49Å; V280-I377 HydrophobicContact CB-CB 4.26Å; V280-I377 HydrophobicContact CB-CD1 4.23Å; V280-I377 PolarHBondContact N-O 3.2Å; V280-I377 WeakPolarHBondContact O-CB 3.28Å; V280-I377 PolarHBondContact O-N 2.89Å
281R93.1Very high92.3Very high168 Ų16858.8 Ų58.863%0.63430%0.299SS*.EExtended strand (participates in β ladder)trans-76.9133.3168.3-67.4-177.7-63.41614.6108.9D245 V376D245-R281 PolarHBondContact N-O 2.94Å; D245-R281 IonicContact OD2-CZ 3.83Å; D245-R281 IonicContact OD2-NE 3.32Å; D245-R281 IonicContact OD2-NH2 2.7Å; D245-R281 PolarHBondContact OD2-NH2 3.09Å; D245-R281 VanDerWaalsContact OD2-NH2 3.17Å; R281-V376 HydrophobicContact CG-CG2 4.23Å
282C93.8Very high92.1Very high3 Ų356.5 Ų56.52%0.0229%0.294CS..EExtended strand (participates in β ladder)trans-134.3149.9173.668.10000112.4I242 E243 L244 H375 I377I242-C282 HydrophobicContact CG2-CB 4.37Å; E243-C282 CarbonylContact O-C 3.56Å; E243-C282 WeakPolarHBondContact O-CA 3.46Å; E243-C282 WeakPolarHBondContact O-CB 3.48Å; L244-C282 HydrophobicContact CD2-CB 3.64Å; C282-H375 PolarHBondContact N-O 3.46Å; C282-H375 PolarHBondContact O-N 3.35Å; C282-I377 HydrophobicContact CB-CD1 4.36Å
283T95.9Very high92Very high36 Ų3659.3 Ų59.322%0.22131%0.313CS..EExtended strand (participates in β ladder)trans-118.1119.5177.2-53.80000107.8I242 E243 L285 I372I242-T283 WeakPolarHBondContact CA-O 3.47Å; E243-T283 PolarHBondContact N-O 3.39Å; E243-T283 PolarHBondContact O-N 3.02Å; T283-L285 HydrophobicContact CG2-CD1 3.81Å; T283-L285 HydrophobicContact CG2-CG 4.4Å; T283-I372 HydrophobicContact CG2-CG2 3.5Å
284V96.1Very high92Very high0 Ų054.2 Ų54.20%029%0.291CS..EExtended strand (participates in β ladder)trans-98.1116.6175.7-172.60000108.4I186 V211 I242 L286 I373I186-V284 HydrophobicContact CD1-CG2 4.17Å; V211-V284 HydrophobicContact CG2-CG1 4.41Å; V211-V284 HydrophobicContact CG2-CG2 4.42Å; I242-V284 HydrophobicContact CG1-CG1 4.33Å; I242-V284 HydrophobicContact CG1-CG2 4.31Å; V284-L286 HydrophobicContact CG1-CD2 4.03Å; V284-L286 HydrophobicContact CG1-CG 4.16Å; V284-I373 HydrophobicContact CB-CB 4.42Å; V284-I373 PolarHBondContact N-O 3.01Å; V284-I373 PolarHBondContact O-N 3.49Å
285L96.8Very high92.1Very high35 Ų3553 Ų5318%0.18329%0.288CS..EExtended strand (participates in β ladder)trans-103.7120.7176-62.588.1000109.2L240 V241 E243 T283 M287 P370 I371L240-L285 WeakPolarHBondContact CA-O 3.34Å; V241-L285 HydrophobicContact CB-CB 4.29Å; V241-L285 HydrophobicContact CG1-CD1 4.42Å; V241-L285 PolarHBondContact N-O 2.71Å; V241-L285 PolarHBondContact O-N 3.17Å; E243-L285 HydrophobicContact CB-CD1 4.46Å; T283-L285 HydrophobicContact CG2-CD1 3.81Å; T283-L285 HydrophobicContact CG2-CG 4.4Å; L285-M287 HydrophobicContact CB-SD 4.07Å; L285-P370 HydrophobicContact CB-CB 4.32Å; L285-P370 HydrophobicContact CD2-CG 4.16Å; L285-I371 WeakPolarHBondContact CA-O 3.4Å
286L95.4Very high92.4Very high0 Ų051.2 Ų51.20%027%0.272CS..EExtended strand (participates in β ladder)trans-114.1112.6-178.8-59.5169.8000109.9I184 F237 L240 V284 P370 I371 I373I184-L286 HydrophobicContact CD1-CD1 3.51Å; I184-L286 HydrophobicContact CG1-CD1 4.49Å; F237-L286 HydrophobicContact CD1-CB 3.87Å; F237-L286 HydrophobicContact CD1-CD2 4.43Å; F237-L286 HydrophobicContact CE1-CB 3.69Å; F237-L286 HydrophobicContact CE1-CD1 4.19Å; F237-L286 HydrophobicContact CE1-CD2 4.31Å; F237-L286 HydrophobicContact CE1-CG 4.29Å; F237-L286 HydrophobicContact CZ-CD1 4.42Å; L240-L286 HydrophobicContact CB-CD2 4.29Å; L240-L286 HydrophobicContact CD1-CD2 3.47Å; L240-L286 VanDerWaalsContact CD1-CD2 3.47Å; L240-L286 HydrophobicContact CG-CD2 3.78Å; V284-L286 HydrophobicContact CG1-CD2 4.03Å; V284-L286 HydrophobicContact CG1-CG 4.16Å; L286-P370 WeakPolarHBondContact O-CA 3.39Å; L286-I371 HydrophobicContact CB-CB 4.24Å; L286-I371 PolarHBondContact N-O 2.9Å; L286-I371 PolarHBondContact O-N 3.38Å; L286-I373 HydrophobicContact CD1-CD1 4.03Å
287M95.4Very high92.8Very high42 Ų4250.3 Ų50.321%0.20726%0.263CS..EExtended strand (participates in β ladder)trans-96.2105.9178.7-72.467.182.700108.9F237 K238 S239 V241 L285 P370F237-M287 CarbonylContact C-O 3.1Å; F237-M287 VanDerWaalsContact CA-O 3.26Å; F237-M287 WeakPolarHBondContact CA-O 3.29Å; F237-M287 WeakPolarHBondContact CB-O 3.31Å; K238-M287 PolarHBondContact N-O 3.35Å; S239-M287 PolarHBondContact N-O 3.13Å; S239-M287 WeakPolarHBondContact O-CB 3.38Å; S239-M287 PolarHBondContact O-N 2.95Å; S239-M287 WeakPolarHBondContact OG-CB 3.34Å; S239-M287 WeakPolarHBondContact OG-CE 3.38Å; V241-M287 HydrophobicContact CB-CE 4.24Å; V241-M287 HydrophobicContact CG2-CE 3.62Å; L285-M287 HydrophobicContact CB-SD 4.07Å; M287-P370 HydrophobicContact CG-CB 4.02Å; M287-P370 HydrophobicContact SD-CB 3.59Å; M287-P370 VanDerWaalsContact SD-CB 3.59Å
288L93.8Very high93.1Very high29 Ų2947.1 Ų47.115%0.15225%0.246CC..EExtended strand (participates in β ladder)trans-64142.1178.9-74.5172.5000112.2F236 F237 Y290 I371 I392 V394F236-L288 WeakPolarHBondContact O-CA 3.45Å; F236-L288 WeakPolarHBondContact O-CD2 3.25Å; F237-L288 HydrophobicContact CD1-CD2 3.83Å; F237-L288 HydrophobicContact CD1-CG 4.45Å; F237-L288 HydrophobicContact CE1-CD2 3.55Å; F237-L288 HydrophobicContact CE1-CG 4.33Å; F237-L288 HydrophobicContact CZ-CD2 4.29Å; L288-Y290 HydrophobicContact CB-CD2 4.16Å; L288-Y290 HydrophobicContact CB-CE2 3.72Å; L288-Y290 HydrophobicContact CD1-CE1 4.34Å; L288-Y290 HydrophobicContact CD1-CE2 4.41Å; L288-Y290 WeakPolarHBondContact CD1-OH 3.47Å; L288-Y290 PolarHBondContact O-N 2.98Å; L288-I371 HydrophobicContact CD1-CD1 3.83Å; L288-I371 HydrophobicContact CG-CD1 4.11Å; L288-I392 HydrophobicContact CD2-CD1 4.15Å; L288-V394 HydrophobicContact CD2-CG1 4.06Å
289D92.5Very high93.4Very high64 Ų6446.9 Ų46.934%0.34225%0.246SC..  trans-91.586.7173.1-165.320.6000110.3F236 K238 R260 Q291F236-D289 PolarHBondContact O-N 2.67Å; K238-D289 HydrophobicContact CB-CB 4.1Å; R260-D289 IonicContact NE-OD2 3.76Å; D289-Q291 PolarHBondContact O-N 2.95Å
290Y89.6Confident93.6Very high62 Ų6250.2 Ų50.224%0.24325%0.247CC..  trans-74.5119.6177.2-66.2-78.6000111L288 P292 P293 Q294 P368L288-Y290 HydrophobicContact CB-CD2 4.16Å; L288-Y290 HydrophobicContact CB-CE2 3.72Å; L288-Y290 HydrophobicContact CD1-CE1 4.34Å; L288-Y290 HydrophobicContact CD1-CE2 4.41Å; L288-Y290 WeakPolarHBondContact CD1-OH 3.47Å; L288-Y290 PolarHBondContact O-N 2.98Å; Y290-P292 CarbonylContact C-O 3.6Å; Y290-P292 VanDerWaalsContact C-O 3.29Å; Y290-P292 CarbonylContact O-C 3.56Å; Y290-P293 WeakPolarHBondContact O-CA 3.45Å; Y290-Q294 HydrophobicContact CD1-CB 4.15Å; Y290-Q294 HydrophobicContact CD1-CG 3.85Å; Y290-Q294 HydrophobicContact CD2-CB 4.16Å; Y290-Q294 HydrophobicContact CG-CB 3.83Å; Y290-Q294 HydrophobicContact CG-CG 3.9Å; Y290-P368 HydrophobicContact CD2-CB 4.24Å; Y290-P368 HydrophobicContact CD2-CG 3.89Å; Y290-P368 HydrophobicContact CE2-CB 3.73Å; Y290-P368 HydrophobicContact CE2-CG 3.9Å
291Q85.6Confident93.8Very high124 Ų12450.2 Ų50.258%0.57925%0.247SC*.SBendtrans-124.2102.8177-169.466.12.500111K177 D289K177-Q291 WeakPolarHBondContact CE-O 3.35Å; K177-Q291 PolarHBondContact NZ-O 3.34Å; D289-Q291 PolarHBondContact O-N 2.95Å
292P89.2Confident93.9Very high67 Ų6742.7 Ų42.744%0.43522%0.221SC..SBendcis-76.2162.98.632.3-36.7000114Y290 Q294 T311Y290-P292 CarbonylContact C-O 3.6Å; Y290-P292 VanDerWaalsContact C-O 3.29Å; Y290-P292 CarbonylContact O-C 3.56Å; P292-Q294 PolarHBondContact O-N 2.94Å; P292-T311 HydrophobicContact CG-CG2 3.77Å
293P91.6Very high94Very high74 Ų7452.2 Ų52.248%0.48126%0.257SS..PPolyproline II helixtrans-54.3126.7-178.7-28.335.4000113Y290 F295Y290-P293 WeakPolarHBondContact O-CA 3.45Å; P293-F295 HydrophobicContact CB-CE2 4.15Å; P293-F295 HydrophobicContact CB-CZ 4.13Å
294Q93.6Very high93.9Very high16 Ų1652.3 Ų52.38%0.07526%0.255CS..EExtended strand (participates in β ladder)trans-99156.3170.6-64.5-173.625.200110Y290 P292 T309 Q310 T311 P368Y290-Q294 HydrophobicContact CD1-CB 4.15Å; Y290-Q294 HydrophobicContact CD1-CG 3.85Å; Y290-Q294 HydrophobicContact CD2-CB 4.16Å; Y290-Q294 HydrophobicContact CG-CB 3.83Å; Y290-Q294 HydrophobicContact CG-CG 3.9Å; P292-Q294 PolarHBondContact O-N 2.94Å; Q294-T309 HydrophobicContact CB-CG2 4.03Å; Q294-Q310 CarbonylContact C-O 3.55Å; Q294-Q310 WeakPolarHBondContact CA-O 3.49Å; Q294-T311 HydrophobicContact CG-CG2 3.8Å; Q294-P368 HydrophobicContact CB-CG 4.49Å; Q294-P368 VanDerWaalsContact O-CD 3.28Å; Q294-P368 WeakPolarHBondContact O-CD 3.37Å; Q294-P368 WeakPolarHBondContact O-CG 3.22Å
295F95.1Very high93.8Very high55 Ų5553.5 Ų53.524%0.24126%0.262CS..EExtended strand (participates in β ladder)trans-133.4141.8-177.6-60.2-87.6000109.3P293 T309 Q310 R312 L365 M366P293-F295 HydrophobicContact CB-CE2 4.15Å; P293-F295 HydrophobicContact CB-CZ 4.13Å; F295-T309 VanDerWaalsContact O-CA 3.29Å; F295-T309 WeakPolarHBondContact O-CA 3.41Å; F295-Q310 PolarHBondContact N-O 2.84Å; F295-Q310 PolarHBondContact O-N 2.81Å; F295-Q310 VanDerWaalsContact O-N 3.1Å; F295-R312 HydrophobicContact CD2-CB 4.34Å; F295-R312 HydrophobicContact CE2-CB 4.19Å; F295-L365 HydrophobicContact CB-CB 3.96Å; F295-L365 HydrophobicContact CB-CD1 4.48Å; F295-L365 HydrophobicContact CB-CD2 3.96Å; F295-L365 HydrophobicContact CB-CG 4.33Å; F295-L365 HydrophobicContact CD1-CB 4.03Å; F295-L365 HydrophobicContact CD2-CD1 4.36Å; F295-L365 HydrophobicContact CG-CB 4.07Å; F295-L365 HydrophobicContact CG-CD1 4.24Å; F295-M366 CarbonylContact C-O 3.5Å; F295-M366 WeakPolarHBondContact CA-O 3.31Å
296K95.8Very high93.7Very high40 Ų4055.1 Ų55.117%0.17429%0.287CS..EExtended strand (participates in β ladder)trans-79.5130.5167.1177.3174.7169.6168.20108.4M366 E369K296-M366 PolarHBondContact N-O 3.42Å; K296-M366 PolarHBondContact O-N 2.92Å; K296-E369 HydrophobicContact CD-CG 3.8Å; K296-E369 IonicContact NZ-OE1 3.18Å; K296-E369 PolarHBondContact NZ-OE1 3.28Å; K296-E369 IonicContact NZ-OE2 3.88Å; K296-E369 PolarHBondContact NZ-OE2 3.14Å
297L96.2Very high93.6Very high1 Ų156.3 Ų56.31%0.00529%0.293CS..EExtended strand (participates in β ladder)trans-83.6151.1179.5-70.372.6000110.2L301 A302 L305 I307 H308 I315 L365L297-L301 HydrophobicContact CD2-CD2 4.07Å; L297-L301 HydrophobicContact CD2-CG 4.02Å; L297-L301 HydrophobicContact CG-CD2 4.41Å; L297-A302 HydrophobicContact CB-CB 3.96Å; L297-L305 HydrophobicContact CD2-CD1 4.05Å; L297-I307 HydrophobicContact CD1-CG2 3.84Å; L297-I307 HydrophobicContact CD2-CB 4.21Å; L297-I307 HydrophobicContact CD2-CG2 4.16Å; L297-H308 WeakPolarHBondContact CD1-O 3.47Å; L297-H308 PolarHBondContact N-O 3.35Å; L297-I315 HydrophobicContact CD1-CD1 3.44Å; L297-I315 VanDerWaalsContact CD1-CD1 3.44Å; L297-I315 HydrophobicContact CD1-CG1 3.9Å; L297-I315 HydrophobicContact CD2-CD1 4.34Å; L297-I315 HydrophobicContact CD2-CG1 4.19Å; L297-I315 HydrophobicContact CD2-CG2 3.85Å; L297-I315 HydrophobicContact CG-CD1 3.94Å; L297-I315 HydrophobicContact CG-CG1 4.33Å; L297-I315 HydrophobicContact CG-CG2 4.39Å; L297-L365 HydrophobicContact CG-CD2 4.29Å
298D95.3Very high93.5Very high49 Ų4959.3 Ų59.326%0.26231%0.306SS..PPolyproline II helixtrans-47.9136163.6175.6-87.5000110.4R300 L301 A302 L364D298-R300 PolarHBondContact O-N 2.89Å; D298-R300 WeakPolarHBondContact OD1-CA 3.41Å; D298-R300 WeakPolarHBondContact OD1-CB 3.33Å; D298-R300 PolarHBondContact OD1-N 3.32Å; D298-L301 HydrophobicContact CB-CB 4.26Å; D298-L301 PolarHBondContact O-N 3.48Å; D298-A302 WeakPolarHBondContact O-CB 3.31Å; D298-A302 PolarHBondContact O-N 3.4Å; D298-L364 HydrophobicContact CB-CB 4.28Å; D298-L364 HydrophobicContact CB-CD2 4.24Å; D298-L364 PolarHBondContact N-O 3.03Å
299P95.3Very high93.5Very high82 Ų8259.5 Ų59.553%0.53231%0.308SS..Hα-helixtrans-54.2-31.9-174.6-28.635.5000115.1R303P299-R303 WeakPolarHBondContact O-CB 3.46Å; P299-R303 PolarHBondContact O-N 3.47Å; P299-R303 VanDerWaalsContact O-N 3.12Å
300R94.7Very high93.6Very high107 Ų10759.6 Ų59.640%0.40431%0.307SS..Hα-helixtrans-74.1-44.4179.7-55.9165.871-164.76.8110.1D298 M304 Q345 I346D298-R300 PolarHBondContact O-N 2.89Å; D298-R300 WeakPolarHBondContact OD1-CA 3.41Å; D298-R300 WeakPolarHBondContact OD1-CB 3.33Å; D298-R300 PolarHBondContact OD1-N 3.32Å; R300-M304 PolarHBondContact O-N 3.02Å; R300-M304 VanDerWaalsContact O-N 3.14Å; R300-Q345 PolarHBondContact NH1-O 3.3Å; R300-Q345 PolarHBondContact NH2-O 3.24Å; R300-I346 HydrophobicContact CB-CD1 4.25Å; R300-I346 HydrophobicContact CB-CG1 3.95Å
301L95Very high93.8Very high0 Ų057.6 Ų57.60%030%0.301CS..Hα-helixtrans-65.2-41.4174.5-17663.3000111.5L297 D298 R303 M304 L305 I346 L361 L364L297-L301 HydrophobicContact CD2-CD2 4.07Å; L297-L301 HydrophobicContact CD2-CG 4.02Å; L297-L301 HydrophobicContact CG-CD2 4.41Å; D298-L301 HydrophobicContact CB-CB 4.26Å; D298-L301 PolarHBondContact O-N 3.48Å; L301-R303 VanDerWaalsContact C-N 3.35Å; L301-R303 PolarHBondContact O-N 3.41Å; L301-M304 HydrophobicContact CD1-CE 3.54Å; L301-M304 PolarHBondContact O-N 2.94Å; L301-L305 HydrophobicContact CD1-CD1 3.7Å; L301-L305 HydrophobicContact CD1-CG 3.99Å; L301-L305 HydrophobicContact CG-CD1 3.98Å; L301-L305 HydrophobicContact CG-CG 4.45Å; L301-L305 PolarHBondContact O-N 3.39Å; L301-I346 HydrophobicContact CB-CD1 4.45Å; L301-I346 HydrophobicContact CB-CG2 4.19Å; L301-I346 HydrophobicContact CD1-CD1 4.46Å; L301-I346 HydrophobicContact CD1-CG2 4.3Å; L301-L361 HydrophobicContact CD2-CD1 3.51Å; L301-L364 HydrophobicContact CD2-CB 4.2Å; L301-L364 HydrophobicContact CD2-CD1 4.27Å
302A95.4Very high94.2Very high11 Ų1155.5 Ų55.59%0.09129%0.288CS..Hα-helixtrans-59.7-44.9178.600000111.9L297 D298 G306 I307L297-A302 HydrophobicContact CB-CB 3.96Å; D298-A302 WeakPolarHBondContact O-CB 3.31Å; D298-A302 PolarHBondContact O-N 3.4Å; A302-G306 CarbonylContact O-C 3.57Å; A302-G306 WeakPolarHBondContact O-CA 3.38Å; A302-G306 PolarHBondContact O-N 3.37Å; A302-I307 WeakPolarHBondContact CA-O 3.5Å; A302-I307 WeakPolarHBondContact CB-O 3.26Å; A302-I307 PolarHBondContact O-N 2.87Å
303R94.8Very high94.4Very high202 Ų20256.8 Ų56.876%0.76230%0.296SS*.Hα-helixtrans-66.6-39.7177.5-170.5-178.9-61.21392.6112.3P299 L301P299-R303 WeakPolarHBondContact O-CB 3.46Å; P299-R303 PolarHBondContact O-N 3.47Å; P299-R303 VanDerWaalsContact O-N 3.12Å; L301-R303 VanDerWaalsContact C-N 3.35Å; L301-R303 PolarHBondContact O-N 3.41Å
304M94.1Very high94.5Very high38 Ų3855.8 Ų55.819%0.18729%0.288CS..Hα-helixtrans-68.6-41.5179.7178.8-103.3-72.400112.2R300 L301 L319 Y322 L343 I346R300-M304 PolarHBondContact O-N 3.02Å; R300-M304 VanDerWaalsContact O-N 3.14Å; L301-M304 HydrophobicContact CD1-CE 3.54Å; L301-M304 PolarHBondContact O-N 2.94Å; M304-L319 HydrophobicContact CE-CD1 4.37Å; M304-Y322 HydrophobicContact CG-CD2 4.15Å; M304-Y322 HydrophobicContact CG-CE2 3.79Å; M304-Y322 HydrophobicContact SD-CD1 4Å; M304-Y322 HydrophobicContact SD-CD2 3.76Å; M304-Y322 HydrophobicContact SD-CE1 4.17Å; M304-Y322 HydrophobicContact SD-CE2 3.93Å; M304-Y322 HydrophobicContact SD-CG 3.8Å; M304-L343 HydrophobicContact CE-CD2 3.46Å; M304-L343 VanDerWaalsContact CE-CD2 3.46Å; M304-L343 HydrophobicContact CE-CG 4.37Å; M304-I346 HydrophobicContact CB-CD1 4.38Å; M304-I346 HydrophobicContact CE-CD1 3.57Å
305L94.9Very high94.6Very high26 Ų2655 Ų5514%0.13629%0.285CS..Hα-helixtrans-86.5-13.5179.5-62-177.7000113.9L297 L301 I307 I315 A318 L319L297-L305 HydrophobicContact CD2-CD1 4.05Å; L301-L305 HydrophobicContact CD1-CD1 3.7Å; L301-L305 HydrophobicContact CD1-CG 3.99Å; L301-L305 HydrophobicContact CG-CD1 3.98Å; L301-L305 HydrophobicContact CG-CG 4.45Å; L301-L305 PolarHBondContact O-N 3.39Å; L305-I307 VanDerWaalsContact C-N 3.27Å; L305-I307 HydrophobicContact CB-CB 4.35Å; L305-I307 HydrophobicContact CB-CD1 4.4Å; L305-I307 HydrophobicContact CB-CG1 4.36Å; L305-I315 HydrophobicContact CD1-CG2 4.11Å; L305-A318 HydrophobicContact CB-CB 4.48Å; L305-A318 HydrophobicContact CD1-CB 4.41Å; L305-A318 HydrophobicContact CD2-CB 4.37Å; L305-L319 HydrophobicContact CD1-CB 4.37Å; L305-L319 HydrophobicContact CD2-CB 4.3Å; L305-L319 HydrophobicContact CD2-CD1 4.37Å
306G93.8Very high94.6Very high69 Ų6954.9 Ų54.971%0.71129%0.286SS*.THydrogen-bonded Turntrans68.725.4-171.700000113.3A302A302-G306 CarbonylContact O-C 3.57Å; A302-G306 WeakPolarHBondContact O-CA 3.38Å; A302-G306 PolarHBondContact O-N 3.37Å
307I93.9Very high94.5Very high24 Ų2459.2 Ų59.212%0.12331%0.307CS..  trans-126.5119.1-173.4-65.5176.6000109.7L297 A302 L305 Q310 A318L297-I307 HydrophobicContact CD1-CG2 3.84Å; L297-I307 HydrophobicContact CD2-CB 4.21Å; L297-I307 HydrophobicContact CD2-CG2 4.16Å; A302-I307 WeakPolarHBondContact CA-O 3.5Å; A302-I307 WeakPolarHBondContact CB-O 3.26Å; A302-I307 PolarHBondContact O-N 2.87Å; L305-I307 VanDerWaalsContact C-N 3.27Å; L305-I307 HydrophobicContact CB-CB 4.35Å; L305-I307 HydrophobicContact CB-CD1 4.4Å; L305-I307 HydrophobicContact CB-CG1 4.36Å; I307-Q310 HydrophobicContact CG2-CB 3.58Å; I307-Q310 HydrophobicContact CG2-CG 3.4Å; I307-A318 HydrophobicContact CD1-CB 3.33Å
308H93.8Very high94.5Very high106 Ų10660.2 Ų60.249%0.49132%0.315SS..SBendtrans-86.7-52.7176.9-173.571000113L297L297-H308 WeakPolarHBondContact CD1-O 3.47Å; L297-H308 PolarHBondContact N-O 3.35Å
309T93.6Very high94.5Very high32 Ų3258.1 Ų58.120%0.19630%0.304CS..EExtended strand (participates in β ladder)trans-140122.8-179.1-57.30000109.6Q294 F295 P368Q294-T309 HydrophobicContact CB-CG2 4.03Å; F295-T309 VanDerWaalsContact O-CA 3.29Å; F295-T309 WeakPolarHBondContact O-CA 3.41Å; T309-P368 HydrophobicContact CG2-CB 4.29Å; T309-P368 HydrophobicContact CG2-CG 4.38Å
310Q93.9Very high94.5Very high67 Ų6758.6 Ų58.631%0.31330%0.295SS..EExtended strand (participates in β ladder)trans-156.1172.3-179.3-88-58.1-23.100112.4Q294 F295 I307 V314 I315Q294-Q310 CarbonylContact C-O 3.55Å; Q294-Q310 WeakPolarHBondContact CA-O 3.49Å; F295-Q310 PolarHBondContact N-O 2.84Å; F295-Q310 PolarHBondContact O-N 2.81Å; F295-Q310 VanDerWaalsContact O-N 3.1Å; I307-Q310 HydrophobicContact CG2-CB 3.58Å; I307-Q310 HydrophobicContact CG2-CG 3.4Å; Q310-V314 HydrophobicContact CB-CB 4.42Å; Q310-V314 HydrophobicContact CB-CG1 4.26Å; Q310-V314 HydrophobicContact CG-CG1 4.01Å; Q310-I315 HydrophobicContact CB-CD1 4.29Å; Q310-I315 HydrophobicContact CB-CG1 3.85Å; Q310-I315 WeakPolarHBondContact O-CD1 3.42Å
311T93.8Very high94.6Very high20 Ų2058.6 Ų58.612%0.12330%0.3CS..EExtended strand (participates in β ladder)trans-72.6148.6172.369.90000111.4P292 Q294 P313 V314 I315P292-T311 HydrophobicContact CG-CG2 3.77Å; Q294-T311 HydrophobicContact CG-CG2 3.8Å; T311-P313 VanDerWaalsContact C-CD 3.49Å; T311-V314 PolarHBondContact O-N 2.91Å; T311-V314 VanDerWaalsContact O-N 3.08Å; T311-V314 VanDerWaalsContact OG1-CG2 3.28Å; T311-V314 WeakPolarHBondContact OG1-CG2 3.2Å; T311-I315 WeakPolarHBondContact O-CG1 3.43Å; T311-I315 PolarHBondContact O-N 2.84Å
312R93.9Very high94.6Very high80 Ų8059.8 Ų59.830%0.30231%0.305SS..Hα-helixtrans-53-43180-170.5174.8-172.6170.61.8114.1F295 V314 I315 I316 P358 L365F295-R312 HydrophobicContact CD2-CB 4.34Å; F295-R312 HydrophobicContact CE2-CB 4.19Å; R312-V314 PolarHBondContact O-N 3.31Å; R312-I315 PolarHBondContact O-N 3.48Å; R312-I316 HydrophobicContact CG-CD1 4.04Å; R312-I316 WeakPolarHBondContact O-CG1 3.31Å; R312-I316 PolarHBondContact O-N 3.3Å; R312-P358 PolarHBondContact NH2-O 3.4Å; R312-L365 HydrophobicContact CB-CD1 4.49Å; R312-L365 HydrophobicContact CG-CD1 4.03Å
313P93.6Very high94.6Very high93 Ų9359.3 Ų59.360%0.60430%0.301SS*.Hα-helixtrans-61.7-40.4176.5-23.935.4000113.5T311 I316 Q317T311-P313 VanDerWaalsContact C-CD 3.49Å; P313-I316 PolarHBondContact O-N 3.38Å; P313-Q317 WeakPolarHBondContact O-CB 3.35Å; P313-Q317 PolarHBondContact O-N 3.3Å
314V93.8Very high94.7Very high53 Ų5355.3 Ų55.332%0.32129%0.289SS..Hα-helixtrans-66.5-40.5178.3173.70000110.6Q310 T311 R312 Q317 A318Q310-V314 HydrophobicContact CB-CB 4.42Å; Q310-V314 HydrophobicContact CB-CG1 4.26Å; Q310-V314 HydrophobicContact CG-CG1 4.01Å; T311-V314 PolarHBondContact O-N 2.91Å; T311-V314 VanDerWaalsContact O-N 3.08Å; T311-V314 VanDerWaalsContact OG1-CG2 3.28Å; T311-V314 WeakPolarHBondContact OG1-CG2 3.2Å; R312-V314 PolarHBondContact O-N 3.31Å; V314-Q317 PolarHBondContact O-N 3.06Å; V314-A318 WeakPolarHBondContact O-CB 3.44Å; V314-A318 PolarHBondContact O-N 2.56Å
315I95.8Very high94.8Very high0 Ų057.9 Ų57.90%031%0.307CS..Hα-helixtrans-62.4-45.9176.1-62.3166.5000110.9L297 L305 Q310 T311 R312 Q317 A318 L319 L361 L365L297-I315 HydrophobicContact CD1-CD1 3.44Å; L297-I315 VanDerWaalsContact CD1-CD1 3.44Å; L297-I315 HydrophobicContact CD1-CG1 3.9Å; L297-I315 HydrophobicContact CD2-CD1 4.34Å; L297-I315 HydrophobicContact CD2-CG1 4.19Å; L297-I315 HydrophobicContact CD2-CG2 3.85Å; L297-I315 HydrophobicContact CG-CD1 3.94Å; L297-I315 HydrophobicContact CG-CG1 4.33Å; L297-I315 HydrophobicContact CG-CG2 4.39Å; L305-I315 HydrophobicContact CD1-CG2 4.11Å; Q310-I315 HydrophobicContact CB-CD1 4.29Å; Q310-I315 HydrophobicContact CB-CG1 3.85Å; Q310-I315 WeakPolarHBondContact O-CD1 3.42Å; T311-I315 WeakPolarHBondContact O-CG1 3.43Å; T311-I315 PolarHBondContact O-N 2.84Å; R312-I315 PolarHBondContact O-N 3.48Å; I315-Q317 VanDerWaalsContact C-N 3.31Å; I315-Q317 PolarHBondContact O-N 3.01Å; I315-A318 PolarHBondContact O-N 3.06Å; I315-L319 WeakPolarHBondContact O-CB 3.4Å; I315-L319 PolarHBondContact O-N 2.9Å; I315-L361 HydrophobicContact CG2-CD1 4.07Å; I315-L361 HydrophobicContact CG2-CD2 3.89Å; I315-L365 HydrophobicContact CD1-CD2 3.6Å
316I95.2Very high94.9Very high53 Ų5361.1 Ų61.127%0.27232%0.321SS..Hα-helixtrans-62.2-41176.5-68.9169.7000110.7R312 P313 L319 W320 I357 L361R312-I316 HydrophobicContact CG-CD1 4.04Å; R312-I316 WeakPolarHBondContact O-CG1 3.31Å; R312-I316 PolarHBondContact O-N 3.3Å; P313-I316 PolarHBondContact O-N 3.38Å; I316-L319 PolarHBondContact O-N 3.1Å; I316-W320 WeakPolarHBondContact O-CB 3.4Å; I316-W320 PolarHBondContact O-N 3.01Å; I316-I357 HydrophobicContact CG1-CG2 4.45Å; I316-L361 HydrophobicContact CD1-CD2 4.41Å; I316-L361 HydrophobicContact CG1-CD2 3.67Å
317Q95Very high95Very high131 Ų13166.6 Ų66.661%0.61233%0.325SS*.Hα-helixtrans-64.9-39.6177.1-173.6177.72.100112.1P313 V314 I315 W320 Q321P313-Q317 WeakPolarHBondContact O-CB 3.35Å; P313-Q317 PolarHBondContact O-N 3.3Å; V314-Q317 PolarHBondContact O-N 3.06Å; I315-Q317 VanDerWaalsContact C-N 3.31Å; I315-Q317 PolarHBondContact O-N 3.01Å; Q317-W320 WeakPolarHBondContact O-CB 3.36Å; Q317-W320 PolarHBondContact O-N 3.38Å; Q317-Q321 WeakPolarHBondContact O-CB 3.46Å; Q317-Q321 PolarHBondContact O-N 3.07Å
318A95.8Very high95.1Very high22 Ų2266.5 Ų66.518%0.18233%0.325CS..Hα-helixtrans-65.7-42.9175.400000111.7L305 I307 V314 I315 W320 Q321 Y322L305-A318 HydrophobicContact CB-CB 4.48Å; L305-A318 HydrophobicContact CD1-CB 4.41Å; L305-A318 HydrophobicContact CD2-CB 4.37Å; I307-A318 HydrophobicContact CD1-CB 3.33Å; V314-A318 WeakPolarHBondContact O-CB 3.44Å; V314-A318 PolarHBondContact O-N 2.56Å; I315-A318 PolarHBondContact O-N 3.06Å; A318-W320 VanDerWaalsContact C-N 3.31Å; A318-W320 PolarHBondContact O-N 3.27Å; A318-Q321 WeakPolarHBondContact O-CB 3.41Å; A318-Q321 PolarHBondContact O-N 3.42Å; A318-Y322 PolarHBondContact O-N 3.35Å
319L95.6Very high95.2Very high5 Ų564.8 Ų64.83%0.02632%0.317CS..Hα-helixtrans-60.4-42.3172.7-178.865.1000111.5M304 L305 I315 I316 Q321 Y322 V323 L343 F347 I357M304-L319 HydrophobicContact CE-CD1 4.37Å; L305-L319 HydrophobicContact CD1-CB 4.37Å; L305-L319 HydrophobicContact CD2-CB 4.3Å; L305-L319 HydrophobicContact CD2-CD1 4.37Å; I315-L319 WeakPolarHBondContact O-CB 3.4Å; I315-L319 PolarHBondContact O-N 2.9Å; I316-L319 PolarHBondContact O-N 3.1Å; L319-Q321 VanDerWaalsContact C-N 3.33Å; L319-Q321 PolarHBondContact O-N 3.33Å; L319-Y322 WeakPolarHBondContact O-CB 3.46Å; L319-Y322 PolarHBondContact O-N 2.92Å; L319-V323 WeakPolarHBondContact O-CG2 3.37Å; L319-V323 PolarHBondContact O-N 2.89Å; L319-L343 HydrophobicContact CD1-CD2 3.7Å; L319-F347 HydrophobicContact CD1-CE2 4.12Å; L319-F347 HydrophobicContact CD2-CE2 4.14Å; L319-F347 HydrophobicContact CD2-CZ 3.9Å; L319-I357 HydrophobicContact CD2-CD1 4.46Å; L319-I357 HydrophobicContact CD2-CG2 3.63Å
320W95.1Very high95.3Very high92 Ų9264.2 Ų64.235%0.34831%0.313SS..Hα-helixtrans-62.4-40.9174.9175.9-127.4000112.2I316 Q317 A318 Y322 V323 K324 F354I316-W320 WeakPolarHBondContact O-CB 3.4Å; I316-W320 PolarHBondContact O-N 3.01Å; Q317-W320 WeakPolarHBondContact O-CB 3.36Å; Q317-W320 PolarHBondContact O-N 3.38Å; A318-W320 VanDerWaalsContact C-N 3.31Å; A318-W320 PolarHBondContact O-N 3.27Å; W320-Y322 VanDerWaalsContact C-N 3.33Å; W320-Y322 PolarHBondContact O-N 3.38Å; W320-V323 HydrophobicContact CE3-CB 4.13Å; W320-V323 HydrophobicContact CE3-CG1 3.99Å; W320-V323 HydrophobicContact CZ3-CB 4.43Å; W320-V323 HydrophobicContact CZ3-CG1 3.79Å; W320-V323 PolarHBondContact O-N 3.34Å; W320-K324 HydrophobicContact CD2-CD 4.18Å; W320-K324 HydrophobicContact CD2-CG 4.05Å; W320-K324 HydrophobicContact CE3-CG 4.25Å; W320-K324 HydrophobicContact CH2-CD 4.43Å; W320-K324 HydrophobicContact CH2-CG 4Å; W320-K324 HydrophobicContact CZ2-CD 3.73Å; W320-K324 HydrophobicContact CZ2-CG 3.79Å; W320-K324 HydrophobicContact CZ3-CG 4.18Å; W320-K324 WeakPolarHBondContact O-CG 3.32Å; W320-K324 PolarHBondContact O-N 2.91Å; W320-F354 HydrophobicContact CE3-CD1 4.39Å; W320-F354 AromaticContact CE3-CE1 3.48Å; W320-F354 HydrophobicContact CE3-CE1 3.48Å; W320-F354 VanDerWaalsContact CE3-CE1 3.48Å; W320-F354 HydrophobicContact CE3-CZ 4.09Å; W320-F354 HydrophobicContact CH2-CE1 4.14Å; W320-F354 HydrophobicContact CH2-CZ 4.02Å; W320-F354 HydrophobicContact CZ3-CD1 4.31Å; W320-F354 AromaticContact CZ3-CE1 3.19Å; W320-F354 HydrophobicContact CZ3-CE1 3.19Å; W320-F354 HydrophobicContact CZ3-CE2 4.47Å; W320-F354 AromaticContact CZ3-CZ 3.31Å; W320-F354 HydrophobicContact CZ3-CZ 3.31Å
321Q95.9Very high95.3Very high106 Ų10665.7 Ų65.750%0.49533%0.328SS..Hα-helixtrans-63-40175.5-174.959.328.200111.6Q317 A318 L319 K324 T325Q317-Q321 WeakPolarHBondContact O-CB 3.46Å; Q317-Q321 PolarHBondContact O-N 3.07Å; A318-Q321 WeakPolarHBondContact O-CB 3.41Å; A318-Q321 PolarHBondContact O-N 3.42Å; L319-Q321 VanDerWaalsContact C-N 3.33Å; L319-Q321 PolarHBondContact O-N 3.33Å; Q321-K324 PolarHBondContact O-N 3.44Å; Q321-T325 PolarHBondContact NE2-OG1 3.37Å; Q321-T325 WeakPolarHBondContact O-CB 3.46Å; Q321-T325 PolarHBondContact O-N 3.49Å; Q321-T325 PolarHBondContact O-OG1 2.9Å
322Y96Very high95.4Very high26 Ų2673 Ų7310%0.10236%0.361CS..Hα-helixtrans-59.6-52.4172.7-177.8-91.4000111.2M304 A318 L319 W320 K324 T325 H326 L328 D340 L343M304-Y322 HydrophobicContact CG-CD2 4.15Å; M304-Y322 HydrophobicContact CG-CE2 3.79Å; M304-Y322 HydrophobicContact SD-CD1 4Å; M304-Y322 HydrophobicContact SD-CD2 3.76Å; M304-Y322 HydrophobicContact SD-CE1 4.17Å; M304-Y322 HydrophobicContact SD-CE2 3.93Å; M304-Y322 HydrophobicContact SD-CG 3.8Å; A318-Y322 PolarHBondContact O-N 3.35Å; L319-Y322 WeakPolarHBondContact O-CB 3.46Å; L319-Y322 PolarHBondContact O-N 2.92Å; W320-Y322 VanDerWaalsContact C-N 3.33Å; W320-Y322 PolarHBondContact O-N 3.38Å; Y322-K324 VanDerWaalsContact C-N 3.3Å; Y322-K324 PolarHBondContact O-N 3.49Å; Y322-T325 PolarHBondContact O-N 2.77Å; Y322-T325 VanDerWaalsContact O-N 3.13Å; Y322-H326 AromaticContact CD2-CD2 3.76Å; Y322-H326 AromaticContact CD2-NE2 3.81Å; Y322-H326 AromaticContact CE2-CD2 3.61Å; Y322-H326 AromaticContact CE2-CE1 3.88Å; Y322-H326 AromaticContact CE2-NE2 3.38Å; Y322-H326 WeakPolarHBondContact CE2-NE2 3.42Å; Y322-H326 AromaticContact CZ-CD2 3.85Å; Y322-H326 AromaticContact CZ-NE2 3.86Å; Y322-H326 PolarHBondContact O-CD2 3.14Å; Y322-H326 PolarHBondContact O-N 3.25Å; Y322-L328 HydrophobicContact CD1-CD1 4.2Å; Y322-L328 HydrophobicContact CE1-CD1 3.79Å; Y322-D340 PolarHBondContact OH-OD2 3.39Å; Y322-L343 HydrophobicContact CD1-CD1 4.19Å; Y322-L343 HydrophobicContact CD1-CG 4.44Å; Y322-L343 HydrophobicContact CE1-CD1 4.01Å; Y322-L343 HydrophobicContact CE1-CG 4.04Å
323V95.6Very high95.5Very high1 Ų173.5 Ų73.51%0.00637%0.366CS..Hα-helixtrans-55.1-43.9178.2167.90000111.9L319 W320 K327 L328 Q329 I337 L343 F354L319-V323 WeakPolarHBondContact O-CG2 3.37Å; L319-V323 PolarHBondContact O-N 2.89Å; W320-V323 HydrophobicContact CE3-CB 4.13Å; W320-V323 HydrophobicContact CE3-CG1 3.99Å; W320-V323 HydrophobicContact CZ3-CB 4.43Å; W320-V323 HydrophobicContact CZ3-CG1 3.79Å; W320-V323 PolarHBondContact O-N 3.34Å; V323-K327 PolarHBondContact O-N 3.48Å; V323-L328 HydrophobicContact CG1-CB 4.17Å; V323-L328 PolarHBondContact O-N 3.29Å; V323-Q329 HydrophobicContact CG1-CB 4.45Å; V323-I337 HydrophobicContact CG1-CG1 4.34Å; V323-I337 HydrophobicContact CG1-CG2 4.09Å; V323-I337 HydrophobicContact CG2-CD1 4.25Å; V323-I337 HydrophobicContact CG2-CG2 3.96Å; V323-L343 HydrophobicContact CG2-CD1 4.45Å; V323-F354 HydrophobicContact CG1-CE1 4.48Å; V323-F354 HydrophobicContact CG1-CZ 4.45Å
324K95.6Very high95.5Very high118 Ų11878 Ų7851%0.51337%0.371SS..Hα-helixtrans-65.8-45.4177-76.6-175.466.9-176.80112.6W320 Q321 Y322 H326 K327W320-K324 HydrophobicContact CD2-CD 4.18Å; W320-K324 HydrophobicContact CD2-CG 4.05Å; W320-K324 HydrophobicContact CE3-CG 4.25Å; W320-K324 HydrophobicContact CH2-CD 4.43Å; W320-K324 HydrophobicContact CH2-CG 4Å; W320-K324 HydrophobicContact CZ2-CD 3.73Å; W320-K324 HydrophobicContact CZ2-CG 3.79Å; W320-K324 HydrophobicContact CZ3-CG 4.18Å; W320-K324 WeakPolarHBondContact O-CG 3.32Å; W320-K324 PolarHBondContact O-N 2.91Å; Q321-K324 PolarHBondContact O-N 3.44Å; Y322-K324 VanDerWaalsContact C-N 3.3Å; Y322-K324 PolarHBondContact O-N 3.49Å; K324-H326 VanDerWaalsContact C-N 3.3Å; K324-H326 PolarHBondContact O-N 2.85Å; K324-K327 PolarHBondContact O-N 3Å
325T96.8Very high95.6Very high92 Ų9280.4 Ų80.456%0.56438%0.379SS*.Hα-helixtrans-64.1-39.5-177-560000110.9Q321 Y322Q321-T325 PolarHBondContact NE2-OG1 3.37Å; Q321-T325 WeakPolarHBondContact O-CB 3.46Å; Q321-T325 PolarHBondContact O-N 3.49Å; Q321-T325 PolarHBondContact O-OG1 2.9Å; Y322-T325 PolarHBondContact O-N 2.77Å; Y322-T325 VanDerWaalsContact O-N 3.13Å
326H95.8Very high95.6Very high94 Ų9482 Ų8244%0.43539%0.386SS..THydrogen-bonded Turntrans-89.93179.3-70.2-104.4000113.8Y322 K324 L328Y322-H326 AromaticContact CD2-CD2 3.76Å; Y322-H326 AromaticContact CD2-NE2 3.81Å; Y322-H326 AromaticContact CE2-CD2 3.61Å; Y322-H326 AromaticContact CE2-CE1 3.88Å; Y322-H326 AromaticContact CE2-NE2 3.38Å; Y322-H326 WeakPolarHBondContact CE2-NE2 3.42Å; Y322-H326 AromaticContact CZ-CD2 3.85Å; Y322-H326 AromaticContact CZ-NE2 3.86Å; Y322-H326 PolarHBondContact O-CD2 3.14Å; Y322-H326 PolarHBondContact O-N 3.25Å; K324-H326 VanDerWaalsContact C-N 3.3Å; K324-H326 PolarHBondContact O-N 2.85Å; H326-L328 VanDerWaalsContact C-N 3.27Å; H326-L328 HydrophobicContact CB-CD1 3.88Å; H326-L328 HydrophobicContact CB-CD2 4.03Å; H326-L328 HydrophobicContact CB-CG 3.63Å; H326-L328 WeakPolarHBondContact O-CD2 3.3Å; H326-L328 PolarHBondContact O-N 3.38Å
327K96.3Very high95.7Very high183 Ų18379.7 Ų79.780%0.79637%0.374SS*.THydrogen-bonded Turntrans51.643.3-179.8-56.2-179.3-177.6179.60113.1V323 K324 Q329V323-K327 PolarHBondContact O-N 3.48Å; K324-K327 PolarHBondContact O-N 3Å; K327-Q329 VanDerWaalsContact C-N 3.34Å
328L95.8Very high95.7Very high23 Ų2376.4 Ų76.412%0.1236%0.361CS..  trans-85.4-6.8-175.4-57.9-179.1000113.4Y322 V323 H326 I337 N338 D340 L343Y322-L328 HydrophobicContact CD1-CD1 4.2Å; Y322-L328 HydrophobicContact CE1-CD1 3.79Å; V323-L328 HydrophobicContact CG1-CB 4.17Å; V323-L328 PolarHBondContact O-N 3.29Å; H326-L328 VanDerWaalsContact C-N 3.27Å; H326-L328 HydrophobicContact CB-CD1 3.88Å; H326-L328 HydrophobicContact CB-CD2 4.03Å; H326-L328 HydrophobicContact CB-CG 3.63Å; H326-L328 WeakPolarHBondContact O-CD2 3.3Å; H326-L328 PolarHBondContact O-N 3.38Å; L328-I337 HydrophobicContact CB-CG2 4.02Å; L328-I337 CarbonylContact O-C 3.3Å; L328-I337 WeakPolarHBondContact O-CA 3.38Å; L328-N338 PolarHBondContact O-N 3.36Å; L328-D340 HydrophobicContact CD1-CB 4.06Å; L328-D340 HydrophobicContact CD2-CB 3.95Å; L328-L343 HydrophobicContact CD1-CD1 3.58Å
329Q96.7Very high95.7Very high70 Ų7075.6 Ų75.633%0.32735%0.354SS..BIsolated β-bridgetrans-71.3133.7172.4-175.2175.432.900110V323 K327 R334 F354V323-Q329 HydrophobicContact CG1-CB 4.45Å; K327-Q329 VanDerWaalsContact C-N 3.34Å; Q329-R334 PolarHBondContact NE2-O 2.8Å; Q329-F354 HydrophobicContact CB-CZ 4.45Å; Q329-F354 HydrophobicContact CG-CE2 4.11Å; Q329-F354 HydrophobicContact CG-CZ 4.1Å
330D95.3Very high95.7Very high19 Ų1976.9 Ų76.910%0.10236%0.361CS..  trans-66.4129.4178.5-167.7-57.3000110.9H332 E333 F336 N338 R351D330-H332 PolarHBondContact OD1-N 2.86Å; D330-E333 HydrophobicContact CB-CB 4.45Å; D330-E333 WeakPolarHBondContact CB-O 3.39Å; D330-E333 CarbonylContact O-C 3.58Å; D330-E333 PolarHBondContact OD1-N 3.16Å; D330-F336 HydrophobicContact CB-CB 4.29Å; D330-F336 PolarHBondContact N-O 2.88Å; D330-N338 PolarHBondContact OD2-ND2 2.98Å; D330-R351 IonicContact OD2-CZ 2.66Å; D330-R351 IonicContact OD2-NE 3.74Å; D330-R351 IonicContact OD2-NH2 3.76Å; D330-R351 PolarHBondContact OD2-NH2 3.06Å
331P94.9Very high95.7Very high99 Ų9980.5 Ų80.564%0.64338%0.379SS*.SBendtrans-71.4-28.1-177.526.2-32.6000113.5
332H95.8Very high95.6Very high173 Ų17382.4 Ų82.480%0.80138%0.383SS*.SBendtrans-90.9-39.8-179.8-57.593.5000110.8D330D330-H332 PolarHBondContact OD1-N 2.86Å
333E95.3Very high95.5Very high90 Ų9081.3 Ų81.342%0.42138%0.378SS..  trans-116.781.8179.5-65.5-175.4162.300111.7D330 E335 F336 R351D330-E333 HydrophobicContact CB-CB 4.45Å; D330-E333 WeakPolarHBondContact CB-O 3.39Å; D330-E333 CarbonylContact O-C 3.58Å; D330-E333 PolarHBondContact OD1-N 3.16Å; E333-E335 PolarHBondContact O-N 3.43Å; E333-F336 HydrophobicContact CB-CD2 3.94Å; E333-F336 PolarHBondContact O-N 3.47Å; E333-F336 VanDerWaalsContact OE2-CD2 3.28Å; E333-F336 WeakPolarHBondContact OE2-CD2 3.42Å; E333-F336 WeakPolarHBondContact OE2-CE2 3.41Å; E333-R351 IonicContact OE2-CZ 3.39Å; E333-R351 VanDerWaalsContact OE2-CZ 3.22Å; E333-R351 IonicContact OE2-NH1 3.17Å; E333-R351 PolarHBondContact OE2-NH1 2.96Å; E333-R351 IonicContact OE2-NH2 2.77Å; E333-R351 PolarHBondContact OE2-NH2 3.47Å
334R93.3Very high95.5Very high189 Ų18984.9 Ų84.971%0.71340%0.395SS*.THydrogen-bonded Turntrans-60.7-6.3-174.2-65.5-171.3178.1-168.1-0.1115.8Q329 F354Q329-R334 PolarHBondContact NE2-O 2.8Å; R334-F354 WeakPolarHBondContact O-CE2 3.35Å
335E95.4Very high95.4Very high102 Ų10284.4 Ų84.448%0.47739%0.394SS..THydrogen-bonded Turntrans-84.7-12.2172.663.7171.3-154.200113.9E333 K353 F354E333-E335 PolarHBondContact O-N 3.43Å; E335-K353 WeakPolarHBondContact O-CA 3.46Å; E335-K353 IonicContact OE1-NZ 2.71Å; E335-K353 PolarHBondContact OE1-NZ 3.1Å; E335-K353 IonicContact OE2-NZ 3.63Å; E335-F354 WeakPolarHBondContact O-CD2 3.31Å; E335-F354 PolarHBondContact O-N 2.93Å
336F96.3Very high95.3Very high34 Ų3480.6 Ų80.615%0.14937%0.371CS..EExtended strand (participates in β ladder)trans-106.1149.3-178.2-77.5-85.3000113.1D330 E333 R351 K353D330-F336 HydrophobicContact CB-CB 4.29Å; D330-F336 PolarHBondContact N-O 2.88Å; E333-F336 HydrophobicContact CB-CD2 3.94Å; E333-F336 PolarHBondContact O-N 3.47Å; E333-F336 VanDerWaalsContact OE2-CD2 3.28Å; E333-F336 WeakPolarHBondContact OE2-CD2 3.42Å; E333-F336 WeakPolarHBondContact OE2-CE2 3.41Å; F336-R351 HydrophobicContact CB-CG 4.45Å; F336-R351 HydrophobicContact CD1-CG 3.88Å; F336-K353 HydrophobicContact CD1-CG 3.78Å; F336-K353 HydrophobicContact CE1-CD 4.32Å; F336-K353 HydrophobicContact CE1-CG 3.46Å; F336-K353 VanDerWaalsContact CE1-CG 3.46Å; F336-K353 HydrophobicContact CE2-CG 4.25Å; F336-K353 HydrophobicContact CG-CG 4.35Å; F336-K353 HydrophobicContact CZ-CD 4.14Å; F336-K353 HydrophobicContact CZ-CG 3.76Å
337I96.7Very high95.3Very high4 Ų476.7 Ų76.72%0.02135%0.353CS..EExtended strand (participates in β ladder)trans-116.4126172-53166.5000107.2V323 L328 C339 R351 M352 F354 I357V323-I337 HydrophobicContact CG1-CG1 4.34Å; V323-I337 HydrophobicContact CG1-CG2 4.09Å; V323-I337 HydrophobicContact CG2-CD1 4.25Å; V323-I337 HydrophobicContact CG2-CG2 3.96Å; L328-I337 HydrophobicContact CB-CG2 4.02Å; L328-I337 CarbonylContact O-C 3.3Å; L328-I337 WeakPolarHBondContact O-CA 3.38Å; I337-C339 PolarHBondContact O-N 3.44Å; I337-R351 WeakPolarHBondContact O-CA 3.43Å; I337-M352 HydrophobicContact CB-CG 4.37Å; I337-M352 PolarHBondContact N-O 3.2Å; I337-M352 PolarHBondContact O-N 2.74Å; I337-F354 HydrophobicContact CD1-CD1 3.62Å; I337-F354 HydrophobicContact CD1-CE1 3.32Å; I337-F354 HydrophobicContact CD1-CE2 4.47Å; I337-F354 HydrophobicContact CD1-CG 4.29Å; I337-F354 HydrophobicContact CD1-CZ 3.79Å; I337-F354 HydrophobicContact CG1-CD1 4.06Å; I337-F354 HydrophobicContact CG1-CD2 4.39Å; I337-F354 HydrophobicContact CG1-CE1 3.48Å; I337-F354 VanDerWaalsContact CG1-CE1 3.48Å; I337-F354 HydrophobicContact CG1-CE2 3.85Å; I337-F354 HydrophobicContact CG1-CG 4.45Å; I337-F354 HydrophobicContact CG1-CZ 3.35Å; I337-I357 HydrophobicContact CD1-CD1 3.78Å; I337-I357 HydrophobicContact CD1-CG1 4.3Å
338N96.3Very high95.1Very high62 Ų6276 Ų7633%0.33235%0.352SS..EExtended strand (participates in β ladder)trans-87.1101.7171.2-64.5-29000107.3L328 D330 D340 R351L328-N338 PolarHBondContact O-N 3.36Å; D330-N338 PolarHBondContact OD2-ND2 2.98Å; N338-D340 PolarHBondContact O-N 3.24Å; N338-R351 PolarHBondContact OD1-NE 2.83Å; N338-R351 VanDerWaalsContact OD1-NE 3.15Å
339C95.6Very high95.1Very high6 Ų676.2 Ų76.24%0.04135%0.354CS..  trans-63.6129-176.4-65.60000109.6I337 L343 Q344 T349 Q350I337-C339 PolarHBondContact O-N 3.44Å; C339-L343 HydrophobicContact CB-CB 3.72Å; C339-Q344 HydrophobicContact CB-CG 3.71Å; C339-Q344 PolarHBondContact O-NE2 3.29Å; C339-T349 VanDerWaalsContact CB-O 3.25Å; C339-T349 WeakPolarHBondContact CB-O 3.49Å; C339-T349 PolarHBondContact SG-O 3.45Å; C339-Q350 WeakPolarHBondContact CB-O 3.3Å; C339-Q350 PolarHBondContact N-O 3.38Å
340D94.9Very high94.9Very high31 Ų3180 Ų8017%0.16637%0.372CS..  trans-75.1-179.3170.468.4-1.8000111.2Y322 L328 N338 Y342 L343 Q344Y322-D340 PolarHBondContact OH-OD2 3.39Å; L328-D340 HydrophobicContact CD1-CB 4.06Å; L328-D340 HydrophobicContact CD2-CB 3.95Å; N338-D340 PolarHBondContact O-N 3.24Å; D340-Y342 PolarHBondContact O-N 2.96Å; D340-Y342 VanDerWaalsContact O-N 3.13Å; D340-Y342 PolarHBondContact OD1-N 2.9Å; D340-L343 PolarHBondContact O-N 3.44Å; D340-L343 WeakPolarHBondContact OD1-CB 3.27Å; D340-L343 WeakPolarHBondContact OD1-CG 3.4Å; D340-L343 PolarHBondContact OD1-N 2.87Å; D340-Q344 WeakPolarHBondContact O-CB 3.23Å; D340-Q344 WeakPolarHBondContact O-CG 3.49Å; D340-Q344 PolarHBondContact O-N 2.87Å
341K95Very high94.9Very high168 Ų16883.1 Ų83.173%0.7338%0.382SS*.Hα-helixtrans-56.2-33.4-177.8-64.3-178.4-179.1179.40112.9Q345K341-Q345 VanDerWaalsContact O-CB 3.28Å; K341-Q345 WeakPolarHBondContact O-CB 3.37Å; K341-Q345 WeakPolarHBondContact O-CG 3.3Å; K341-Q345 PolarHBondContact O-N 3.22Å
342Y94.6Very high95Very high147 Ų14778.6 Ų78.658%0.57635%0.353SS*.Hα-helixtrans-78.9-43.1-179-59.2-65.8000111.9D340 Q345 I346D340-Y342 PolarHBondContact O-N 2.96Å; D340-Y342 VanDerWaalsContact O-N 3.13Å; D340-Y342 PolarHBondContact OD1-N 2.9Å; Y342-Q345 VanDerWaalsContact O-CB 3.29Å; Y342-Q345 WeakPolarHBondContact O-CB 3.33Å; Y342-Q345 PolarHBondContact O-N 2.85Å; Y342-I346 WeakPolarHBondContact O-CD1 3.43Å; Y342-I346 WeakPolarHBondContact O-CG1 3.45Å; Y342-I346 PolarHBondContact O-N 3.41Å
343L94.4Very high95Very high3 Ų373.5 Ų73.52%0.01633%0.328CS..Hα-helixtrans-67.6-39.2175.5-74.2175.3000112.2M304 L319 Y322 V323 L328 C339 D340 Q345 I346 F347M304-L343 HydrophobicContact CE-CD2 3.46Å; M304-L343 VanDerWaalsContact CE-CD2 3.46Å; M304-L343 HydrophobicContact CE-CG 4.37Å; L319-L343 HydrophobicContact CD1-CD2 3.7Å; Y322-L343 HydrophobicContact CD1-CD1 4.19Å; Y322-L343 HydrophobicContact CD1-CG 4.44Å; Y322-L343 HydrophobicContact CE1-CD1 4.01Å; Y322-L343 HydrophobicContact CE1-CG 4.04Å; V323-L343 HydrophobicContact CG2-CD1 4.45Å; L328-L343 HydrophobicContact CD1-CD1 3.58Å; C339-L343 HydrophobicContact CB-CB 3.72Å; D340-L343 PolarHBondContact O-N 3.44Å; D340-L343 WeakPolarHBondContact OD1-CB 3.27Å; D340-L343 WeakPolarHBondContact OD1-CG 3.4Å; D340-L343 PolarHBondContact OD1-N 2.87Å; L343-Q345 PolarHBondContact O-N 2.99Å; L343-I346 PolarHBondContact O-N 3.5Å; L343-I346 VanDerWaalsContact O-N 3.15Å; L343-F347 HydrophobicContact CB-CD2 4.46Å; L343-F347 HydrophobicContact CD2-CD2 3.76Å; L343-F347 HydrophobicContact CD2-CE2 3.63Å; L343-F347 WeakPolarHBondContact O-CB 3.44Å; L343-F347 PolarHBondContact O-N 2.94Å
344Q94.9Very high94.8Very high76 Ų7671.9 Ų71.936%0.35532%0.32SS..Hα-helixtrans-58-41.3173.7-76.3179.137.500111.4C339 D340 I346 E348 T349C339-Q344 HydrophobicContact CB-CG 3.71Å; C339-Q344 PolarHBondContact O-NE2 3.29Å; D340-Q344 WeakPolarHBondContact O-CB 3.23Å; D340-Q344 WeakPolarHBondContact O-CG 3.49Å; D340-Q344 PolarHBondContact O-N 2.87Å; Q344-I346 VanDerWaalsContact C-N 3.3Å; Q344-I346 PolarHBondContact O-N 2.99Å; Q344-E348 WeakPolarHBondContact O-CA 3.4Å; Q344-E348 PolarHBondContact O-N 3.17Å; Q344-T349 WeakPolarHBondContact CG-O 3.39Å
345Q94.2Very high94.9Very high107 Ų10767.2 Ų67.250%0.532%0.316SS..Hα-helixtrans-64-33.2178.3-99.3-173.130.800113.4R300 K341 Y342 L343R300-Q345 PolarHBondContact NH1-O 3.3Å; R300-Q345 PolarHBondContact NH2-O 3.24Å; K341-Q345 VanDerWaalsContact O-CB 3.28Å; K341-Q345 WeakPolarHBondContact O-CB 3.37Å; K341-Q345 WeakPolarHBondContact O-CG 3.3Å; K341-Q345 PolarHBondContact O-N 3.22Å; Y342-Q345 VanDerWaalsContact O-CB 3.29Å; Y342-Q345 WeakPolarHBondContact O-CB 3.33Å; Y342-Q345 PolarHBondContact O-N 2.85Å; L343-Q345 PolarHBondContact O-N 2.99Å
346I94.4Very high94.8Very high13 Ų1365 Ų657%0.06731%0.306CS..Hα-helixtrans-93.1-44.6-175.4-66.9164.5000111.9R300 L301 M304 Y342 L343 Q344 L364R300-I346 HydrophobicContact CB-CD1 4.25Å; R300-I346 HydrophobicContact CB-CG1 3.95Å; L301-I346 HydrophobicContact CB-CD1 4.45Å; L301-I346 HydrophobicContact CB-CG2 4.19Å; L301-I346 HydrophobicContact CD1-CD1 4.46Å; L301-I346 HydrophobicContact CD1-CG2 4.3Å; M304-I346 HydrophobicContact CB-CD1 4.38Å; M304-I346 HydrophobicContact CE-CD1 3.57Å; Y342-I346 WeakPolarHBondContact O-CD1 3.43Å; Y342-I346 WeakPolarHBondContact O-CG1 3.45Å; Y342-I346 PolarHBondContact O-N 3.41Å; L343-I346 PolarHBondContact O-N 3.5Å; L343-I346 VanDerWaalsContact O-N 3.15Å; Q344-I346 VanDerWaalsContact C-N 3.3Å; Q344-I346 PolarHBondContact O-N 2.99Å; I346-L364 HydrophobicContact CG2-CD1 3.49Å; I346-L364 VanDerWaalsContact CG2-CD1 3.49Å
347F94.4Very high94.7Very high12 Ų1264 Ų645%0.05330%0.302CS..Hα-helixtrans-96.6-2.4-176.4-71.4-67.3000113.8L319 L343 T349 M352 R360 L364L319-F347 HydrophobicContact CD1-CE2 4.12Å; L319-F347 HydrophobicContact CD2-CE2 4.14Å; L319-F347 HydrophobicContact CD2-CZ 3.9Å; L343-F347 HydrophobicContact CB-CD2 4.46Å; L343-F347 HydrophobicContact CD2-CD2 3.76Å; L343-F347 HydrophobicContact CD2-CE2 3.63Å; L343-F347 WeakPolarHBondContact O-CB 3.44Å; L343-F347 PolarHBondContact O-N 2.94Å; F347-T349 HydrophobicContact CB-CG2 4.1Å; F347-T349 PolarHBondContact O-N 3.41Å; F347-T349 VanDerWaalsContact O-N 3.12Å; F347-M352 HydrophobicContact CB-SD 4.41Å; F347-M352 HydrophobicContact CD2-SD 4.35Å; F347-M352 HydrophobicContact CG-SD 4.26Å; F347-R360 HydrophobicContact CD1-CB 3.81Å; F347-R360 HydrophobicContact CE1-CB 4.06Å; F347-R360 PolarHBondContact O-NH1 3.24Å; F347-R360 VanDerWaalsContact O-NH1 3.11Å; F347-L364 HydrophobicContact CD1-CD1 3.85Å; F347-L364 HydrophobicContact CE1-CD1 3.58Å; F347-L364 HydrophobicContact CZ-CD1 4.18Å
348E93.9Very high94.5Very high169 Ų16966.1 Ų66.179%0.7932%0.316SS*.SBendtrans54.933.3176.4-59.2175.317700112.7Q344Q344-E348 WeakPolarHBondContact O-CA 3.4Å; Q344-E348 PolarHBondContact O-N 3.17Å
349T94.1Very high94.4Very high27 Ų2770.6 Ų70.617%0.16634%0.335CS..  trans-144.2140.2179.6-169.30000111.6C339 Q344 F347 R351 M352C339-T349 VanDerWaalsContact CB-O 3.25Å; C339-T349 WeakPolarHBondContact CB-O 3.49Å; C339-T349 PolarHBondContact SG-O 3.45Å; Q344-T349 WeakPolarHBondContact CG-O 3.39Å; F347-T349 HydrophobicContact CB-CG2 4.1Å; F347-T349 PolarHBondContact O-N 3.41Å; F347-T349 VanDerWaalsContact O-N 3.12Å; T349-R351 PolarHBondContact OG1-N 3.26Å; T349-R351 PolarHBondContact OG1-O 3Å; T349-M352 HydrophobicContact CG2-CB 3.95Å; T349-M352 HydrophobicContact CG2-CG 4.23Å; T349-M352 HydrophobicContact CG2-SD 4.17Å
350Q94.4Very high94.3Very high149 Ų14974.5 Ų74.570%0.69635%0.349SS*.SBendtrans-73.5-31.8175.7-164.6178.518.900112.4C339C339-Q350 WeakPolarHBondContact CB-O 3.3Å; C339-Q350 PolarHBondContact N-O 3.38Å
351R95Very high94.2Very high84 Ų8473.1 Ų73.132%0.31734%0.341SS..EExtended strand (participates in β ladder)trans-145.9144.2-176.3-161.5179.5-164.8-139.5-0.3109.9D330 E333 F336 I337 N338 T349D330-R351 IonicContact OD2-CZ 2.66Å; D330-R351 IonicContact OD2-NE 3.74Å; D330-R351 IonicContact OD2-NH2 3.76Å; D330-R351 PolarHBondContact OD2-NH2 3.06Å; E333-R351 IonicContact OE2-CZ 3.39Å; E333-R351 VanDerWaalsContact OE2-CZ 3.22Å; E333-R351 IonicContact OE2-NH1 3.17Å; E333-R351 PolarHBondContact OE2-NH1 2.96Å; E333-R351 IonicContact OE2-NH2 2.77Å; E333-R351 PolarHBondContact OE2-NH2 3.47Å; F336-R351 HydrophobicContact CB-CG 4.45Å; F336-R351 HydrophobicContact CD1-CG 3.88Å; I337-R351 WeakPolarHBondContact O-CA 3.43Å; N338-R351 PolarHBondContact OD1-NE 2.83Å; N338-R351 VanDerWaalsContact OD1-NE 3.15Å; T349-R351 PolarHBondContact OG1-N 3.26Å; T349-R351 PolarHBondContact OG1-O 3Å
352M95.4Very high94.2Very high5 Ų570.8 Ų70.83%0.02533%0.333CS..EExtended strand (participates in β ladder)trans-152154177.157.2-179.3-76.600112.3I337 F347 T349 I357I337-M352 HydrophobicContact CB-CG 4.37Å; I337-M352 PolarHBondContact N-O 3.2Å; I337-M352 PolarHBondContact O-N 2.74Å; F347-M352 HydrophobicContact CB-SD 4.41Å; F347-M352 HydrophobicContact CD2-SD 4.35Å; F347-M352 HydrophobicContact CG-SD 4.26Å; T349-M352 HydrophobicContact CG2-CB 3.95Å; T349-M352 HydrophobicContact CG2-CG 4.23Å; T349-M352 HydrophobicContact CG2-SD 4.17Å; M352-I357 HydrophobicContact CE-CB 4.07Å; M352-I357 HydrophobicContact CE-CG1 3.3Å
353K95.8Very high94.1Very high65 Ų6567.8 Ų67.828%0.28334%0.338SS..EExtended strand (participates in β ladder)trans-80.8153.5172.5-64.2-167.1-177.1-145.40112.1E335 F336 S355 E356E335-K353 WeakPolarHBondContact O-CA 3.46Å; E335-K353 IonicContact OE1-NZ 2.71Å; E335-K353 PolarHBondContact OE1-NZ 3.1Å; E335-K353 IonicContact OE2-NZ 3.63Å; F336-K353 HydrophobicContact CD1-CG 3.78Å; F336-K353 HydrophobicContact CE1-CD 4.32Å; F336-K353 HydrophobicContact CE1-CG 3.46Å; F336-K353 VanDerWaalsContact CE1-CG 3.46Å; F336-K353 HydrophobicContact CE2-CG 4.25Å; F336-K353 HydrophobicContact CG-CG 4.35Å; F336-K353 HydrophobicContact CZ-CD 4.14Å; F336-K353 HydrophobicContact CZ-CG 3.76Å; K353-S355 PolarHBondContact O-N 3.28Å; K353-E356 HydrophobicContact CB-CG 4.2Å; K353-E356 WeakPolarHBondContact O-CB 3.45Å; K353-E356 PolarHBondContact O-N 3.48Å; K353-E356 VanDerWaalsContact O-N 3.1Å
354F92.6Very high94.1Very high57 Ų5769 Ų6925%0.2535%0.345CS..G310 helixtrans-57.8-36.3172.3-74.7-73.6000113.1W320 V323 Q329 R334 E335 I337 E356 I357W320-F354 HydrophobicContact CE3-CD1 4.39Å; W320-F354 AromaticContact CE3-CE1 3.48Å; W320-F354 HydrophobicContact CE3-CE1 3.48Å; W320-F354 VanDerWaalsContact CE3-CE1 3.48Å; W320-F354 HydrophobicContact CE3-CZ 4.09Å; W320-F354 HydrophobicContact CH2-CE1 4.14Å; W320-F354 HydrophobicContact CH2-CZ 4.02Å; W320-F354 HydrophobicContact CZ3-CD1 4.31Å; W320-F354 AromaticContact CZ3-CE1 3.19Å; W320-F354 HydrophobicContact CZ3-CE1 3.19Å; W320-F354 HydrophobicContact CZ3-CE2 4.47Å; W320-F354 AromaticContact CZ3-CZ 3.31Å; W320-F354 HydrophobicContact CZ3-CZ 3.31Å; V323-F354 HydrophobicContact CG1-CE1 4.48Å; V323-F354 HydrophobicContact CG1-CZ 4.45Å; Q329-F354 HydrophobicContact CB-CZ 4.45Å; Q329-F354 HydrophobicContact CG-CE2 4.11Å; Q329-F354 HydrophobicContact CG-CZ 4.1Å; R334-F354 WeakPolarHBondContact O-CE2 3.35Å; E335-F354 WeakPolarHBondContact O-CD2 3.31Å; E335-F354 PolarHBondContact O-N 2.93Å; I337-F354 HydrophobicContact CD1-CD1 3.62Å; I337-F354 HydrophobicContact CD1-CE1 3.32Å; I337-F354 HydrophobicContact CD1-CE2 4.47Å; I337-F354 HydrophobicContact CD1-CG 4.29Å; I337-F354 HydrophobicContact CD1-CZ 3.79Å; I337-F354 HydrophobicContact CG1-CD1 4.06Å; I337-F354 HydrophobicContact CG1-CD2 4.39Å; I337-F354 HydrophobicContact CG1-CE1 3.48Å; I337-F354 VanDerWaalsContact CG1-CE1 3.48Å; I337-F354 HydrophobicContact CG1-CE2 3.85Å; I337-F354 HydrophobicContact CG1-CG 4.45Å; I337-F354 HydrophobicContact CG1-CZ 3.35Å; F354-E356 PolarHBondContact O-N 2.93Å; F354-I357 HydrophobicContact CD1-CD1 3.74Å; F354-I357 HydrophobicContact CE1-CD1 4.46Å; F354-I357 WeakPolarHBondContact O-CB 3.4Å; F354-I357 WeakPolarHBondContact O-CG1 3.38Å; F354-I357 PolarHBondContact O-N 2.7Å
355S94.3Very high94.1Very high91 Ų9166 Ų6664%0.63633%0.331SS*.G310 helixtrans-66.2-21.9178.652.20000113.6K353 P358K353-S355 PolarHBondContact O-N 3.28Å; S355-P358 WeakPolarHBondContact O-CD 3.18Å
356E94.1Very high94.2Very high56 Ų5666.1 Ų66.126%0.26233%0.333SS..G310 helixtrans-82.4-20.7177.9-67.1172.8-14500112.8K353 F354 Q359 R360K353-E356 HydrophobicContact CB-CG 4.2Å; K353-E356 WeakPolarHBondContact O-CB 3.45Å; K353-E356 PolarHBondContact O-N 3.48Å; K353-E356 VanDerWaalsContact O-N 3.1Å; F354-E356 PolarHBondContact O-N 2.93Å; E356-Q359 PolarHBondContact O-N 3.25Å; E356-Q359 VanDerWaalsContact O-N 3.14Å; E356-R360 PolarHBondContact O-N 3Å; E356-R360 IonicContact OE2-CZ 2.96Å; E356-R360 IonicContact OE2-NE 2.67Å; E356-R360 PolarHBondContact OE2-NE 3.01Å; E356-R360 IonicContact OE2-NH2 3.19Å; E356-R360 PolarHBondContact OE2-NH2 3.44Å
357I93.1Very high94.1Very high12 Ų1270.2 Ų70.26%0.06236%0.36CS..Hα-helixtrans-50.5-51.1-177.2-65.5169.6000111.7I316 L319 I337 M352 F354 Q359 R360 L361I316-I357 HydrophobicContact CG1-CG2 4.45Å; L319-I357 HydrophobicContact CD2-CD1 4.46Å; L319-I357 HydrophobicContact CD2-CG2 3.63Å; I337-I357 HydrophobicContact CD1-CD1 3.78Å; I337-I357 HydrophobicContact CD1-CG1 4.3Å; M352-I357 HydrophobicContact CE-CB 4.07Å; M352-I357 HydrophobicContact CE-CG1 3.3Å; F354-I357 HydrophobicContact CD1-CD1 3.74Å; F354-I357 HydrophobicContact CE1-CD1 4.46Å; F354-I357 WeakPolarHBondContact O-CB 3.4Å; F354-I357 WeakPolarHBondContact O-CG1 3.38Å; F354-I357 PolarHBondContact O-N 2.7Å; I357-Q359 VanDerWaalsContact C-N 3.29Å; I357-Q359 PolarHBondContact O-N 2.91Å; I357-R360 PolarHBondContact O-N 2.84Å; I357-L361 WeakPolarHBondContact O-CB 3.47Å; I357-L361 PolarHBondContact O-N 2.7Å
358P93.6Very high94.1Very high49 Ų4971.3 Ų71.332%0.31837%0.369SS..Hα-helixtrans-59.7-41.7-175.9-23.635.8000111.9R312 S355 H362R312-P358 PolarHBondContact NH2-O 3.4Å; S355-P358 WeakPolarHBondContact O-CD 3.18Å; P358-H362 PolarHBondContact O-N 3.26Å; P358-H362 VanDerWaalsContact O-N 3.17Å
359Q93.6Very high94Very high156 Ų15668.7 Ų68.773%0.72936%0.356SS*.Hα-helixtrans-69.4-48.8-178.7-68.1178.4-4.200111.4E356 I357 L361 H362E356-Q359 PolarHBondContact O-N 3.25Å; E356-Q359 VanDerWaalsContact O-N 3.14Å; I357-Q359 VanDerWaalsContact C-N 3.29Å; I357-Q359 PolarHBondContact O-N 2.91Å; Q359-L361 VanDerWaalsContact C-N 3.31Å; Q359-L361 PolarHBondContact O-N 2.87Å; Q359-H362 VanDerWaalsContact O-CB 3.25Å; Q359-H362 WeakPolarHBondContact O-CB 3.45Å; Q359-H362 PolarHBondContact O-N 3.45Å; Q359-H362 VanDerWaalsContact O-N 3.1Å
360R93.1Very high94Very high88 Ų8869.4 Ų69.433%0.33236%0.362SS..Hα-helixtrans-63.2-37.9177.9-69-172.2177.4-102.4-0.1112.4F347 E356 I357 H362F347-R360 HydrophobicContact CD1-CB 3.81Å; F347-R360 HydrophobicContact CE1-CB 4.06Å; F347-R360 PolarHBondContact O-NH1 3.24Å; F347-R360 VanDerWaalsContact O-NH1 3.11Å; E356-R360 PolarHBondContact O-N 3Å; E356-R360 IonicContact OE2-CZ 2.96Å; E356-R360 IonicContact OE2-NE 2.67Å; E356-R360 PolarHBondContact OE2-NE 3.01Å; E356-R360 IonicContact OE2-NH2 3.19Å; E356-R360 PolarHBondContact OE2-NH2 3.44Å; I357-R360 PolarHBondContact O-N 2.84Å; R360-H362 VanDerWaalsContact C-N 3.25Å; R360-H362 PolarHBondContact O-N 2.76Å
361L94.3Very high94Very high1 Ų164.6 Ų64.61%0.00534%0.34CS..Hα-helixtrans-64.9-30.4176.1-177.862.9000111.7L301 I315 I316 I357 Q359 A363 L364 L365L301-L361 HydrophobicContact CD2-CD1 3.51Å; I315-L361 HydrophobicContact CG2-CD1 4.07Å; I315-L361 HydrophobicContact CG2-CD2 3.89Å; I316-L361 HydrophobicContact CD1-CD2 4.41Å; I316-L361 HydrophobicContact CG1-CD2 3.67Å; I357-L361 WeakPolarHBondContact O-CB 3.47Å; I357-L361 PolarHBondContact O-N 2.7Å; Q359-L361 VanDerWaalsContact C-N 3.31Å; Q359-L361 PolarHBondContact O-N 2.87Å; L361-A363 VanDerWaalsContact C-N 3.27Å; L361-A363 PolarHBondContact O-N 3.45Å; L361-L364 WeakPolarHBondContact O-CA 3.46Å; L361-L364 PolarHBondContact O-N 2.9Å; L361-L365 HydrophobicContact CD1-CD2 4.11Å; L361-L365 HydrophobicContact CD1-CG 4.25Å; L361-L365 HydrophobicContact CD2-CD1 4.22Å; L361-L365 HydrophobicContact CG-CD1 3.92Å; L361-L365 HydrophobicContact CG-CD2 4.21Å; L361-L365 HydrophobicContact CG-CG 3.95Å; L361-L365 WeakPolarHBondContact O-CG 3.48Å; L361-L365 PolarHBondContact O-N 2.72Å
362H93.8Very high94Very high119 Ų11965.5 Ų65.555%0.55135%0.35SS*.Hα-helixtrans-57.1-39.3-175.8-173.644.9000113.2P358 Q359 R360 L364 L365P358-H362 PolarHBondContact O-N 3.26Å; P358-H362 VanDerWaalsContact O-N 3.17Å; Q359-H362 VanDerWaalsContact O-CB 3.25Å; Q359-H362 WeakPolarHBondContact O-CB 3.45Å; Q359-H362 PolarHBondContact O-N 3.45Å; Q359-H362 VanDerWaalsContact O-N 3.1Å; R360-H362 VanDerWaalsContact C-N 3.25Å; R360-H362 PolarHBondContact O-N 2.76Å; H362-L364 PolarHBondContact O-N 2.9Å; H362-L365 PolarHBondContact O-N 3.22Å
363A92.8Very high94Very high84 Ų8465.7 Ų65.769%0.69435%0.351SS*.THydrogen-bonded Turntrans-69.2-16.5177.800000113.7L361L361-A363 VanDerWaalsContact C-N 3.27Å; L361-A363 PolarHBondContact O-N 3.45Å
364L94.4Very high94Very high28 Ų2868 Ų6815%0.14737%0.367CS..THydrogen-bonded Turntrans-102.73.4-178.6-56.3174.1000112.7D298 L301 I346 F347 L361 H362D298-L364 HydrophobicContact CB-CB 4.28Å; D298-L364 HydrophobicContact CB-CD2 4.24Å; D298-L364 PolarHBondContact N-O 3.03Å; L301-L364 HydrophobicContact CD2-CB 4.2Å; L301-L364 HydrophobicContact CD2-CD1 4.27Å; I346-L364 HydrophobicContact CG2-CD1 3.49Å; I346-L364 VanDerWaalsContact CG2-CD1 3.49Å; F347-L364 HydrophobicContact CD1-CD1 3.85Å; F347-L364 HydrophobicContact CE1-CD1 3.58Å; F347-L364 HydrophobicContact CZ-CD1 4.18Å; L361-L364 WeakPolarHBondContact O-CA 3.46Å; L361-L364 PolarHBondContact O-N 2.9Å; H362-L364 PolarHBondContact O-N 2.9Å
365L95.6Very high94Very high14 Ų1466.5 Ų66.57%0.07336%0.361CS..EExtended strand (participates in β ladder)trans-108.1110.5179.1-65.5-179.1000109.7F295 L297 R312 I315 L361 H362F295-L365 HydrophobicContact CB-CB 3.96Å; F295-L365 HydrophobicContact CB-CD1 4.48Å; F295-L365 HydrophobicContact CB-CD2 3.96Å; F295-L365 HydrophobicContact CB-CG 4.33Å; F295-L365 HydrophobicContact CD1-CB 4.03Å; F295-L365 HydrophobicContact CD2-CD1 4.36Å; F295-L365 HydrophobicContact CG-CB 4.07Å; F295-L365 HydrophobicContact CG-CD1 4.24Å; L297-L365 HydrophobicContact CG-CD2 4.29Å; R312-L365 HydrophobicContact CB-CD1 4.49Å; R312-L365 HydrophobicContact CG-CD1 4.03Å; I315-L365 HydrophobicContact CD1-CD2 3.6Å; L361-L365 HydrophobicContact CD1-CD2 4.11Å; L361-L365 HydrophobicContact CD1-CG 4.25Å; L361-L365 HydrophobicContact CD2-CD1 4.22Å; L361-L365 HydrophobicContact CG-CD1 3.92Å; L361-L365 HydrophobicContact CG-CD2 4.21Å; L361-L365 HydrophobicContact CG-CG 3.95Å; L361-L365 WeakPolarHBondContact O-CG 3.48Å; L361-L365 PolarHBondContact O-N 2.72Å; H362-L365 PolarHBondContact O-N 3.22Å
366M94.9Very high93.9Very high110 Ų11066.4 Ų66.454%0.54236%0.356SS..EExtended strand (participates in β ladder)trans-98.3157.4176.9-59.6-57-73.900110.7F295 K296F295-M366 CarbonylContact C-O 3.5Å; F295-M366 WeakPolarHBondContact CA-O 3.31Å; K296-M366 PolarHBondContact N-O 3.42Å; K296-M366 PolarHBondContact O-N 2.92Å
367P93.3Very high93.7Very high98 Ų9863.8 Ų63.864%0.63634%0.344SS*.PPolyproline II helixtrans-53.1145.5167.9-24.534.7000111.3
368P93.7Very high93.5Very high36 Ų3664.4 Ų64.423%0.23435%0.349CS..PPolyproline II helixtrans-56.6146.2172.9-24.835.2000111.6Y290 Q294 T309Y290-P368 HydrophobicContact CD2-CB 4.24Å; Y290-P368 HydrophobicContact CD2-CG 3.89Å; Y290-P368 HydrophobicContact CE2-CB 3.73Å; Y290-P368 HydrophobicContact CE2-CG 3.9Å; Q294-P368 HydrophobicContact CB-CG 4.49Å; Q294-P368 VanDerWaalsContact O-CD 3.28Å; Q294-P368 WeakPolarHBondContact O-CD 3.37Å; Q294-P368 WeakPolarHBondContact O-CG 3.22Å; T309-P368 HydrophobicContact CG2-CB 4.29Å; T309-P368 HydrophobicContact CG2-CG 4.38Å
369E92Very high93.1Very high113 Ų11363.9 Ų63.953%0.52835%0.345SS..PPolyproline II helixtrans-68.4139.3175.7-81.1177.915500111.4K296K296-E369 HydrophobicContact CD-CG 3.8Å; K296-E369 IonicContact NZ-OE1 3.18Å; K296-E369 PolarHBondContact NZ-OE1 3.28Å; K296-E369 IonicContact NZ-OE2 3.88Å; K296-E369 PolarHBondContact NZ-OE2 3.14Å
370P94.6Very high92.6Very high43 Ų4359.9 Ų59.928%0.27933%0.329SS..PPolyproline II helixtrans-67.7153.2172.730.9-34.9000110.3L285 L286 M287 I372L285-P370 HydrophobicContact CB-CB 4.32Å; L285-P370 HydrophobicContact CD2-CG 4.16Å; L286-P370 WeakPolarHBondContact O-CA 3.39Å; M287-P370 HydrophobicContact CG-CB 4.02Å; M287-P370 HydrophobicContact SD-CB 3.59Å; M287-P370 VanDerWaalsContact SD-CB 3.59Å; P370-I372 HydrophobicContact CG-CG1 4.36Å; P370-I372 PolarHBondContact O-N 3.44Å
371I94.3Very high91.7Very high48 Ų4860.2 Ų60.225%0.24634%0.342CS..EExtended strand (participates in β ladder)trans-79.4121.5168.3-59.4167.2000106.8L285 L286 L288 I373 I392L285-I371 WeakPolarHBondContact CA-O 3.4Å; L286-I371 HydrophobicContact CB-CB 4.24Å; L286-I371 PolarHBondContact N-O 2.9Å; L286-I371 PolarHBondContact O-N 3.38Å; L288-I371 HydrophobicContact CD1-CD1 3.83Å; L288-I371 HydrophobicContact CG-CD1 4.11Å; I371-I373 HydrophobicContact CG2-CG1 4.3Å; I371-I392 HydrophobicContact CD1-CB 4.26Å; I371-I392 HydrophobicContact CD1-CD1 3.55Å; I371-I392 HydrophobicContact CD1-CG2 4.08Å; I371-I392 HydrophobicContact CG2-CG2 4.49Å
372I95.6Very high90.8Very high103 Ų10366.8 Ų66.853%0.52838%0.377SS..EExtended strand (participates in β ladder)trans-105122.7-176.7-57175.5000108.6T283 P370T283-I372 HydrophobicContact CG2-CG2 3.5Å; P370-I372 HydrophobicContact CG-CG1 4.36Å; P370-I372 PolarHBondContact O-N 3.44Å
373I95.5Very high89.8Confident9 Ų963.1 Ų63.15%0.04636%0.362CS..EExtended strand (participates in β ladder)trans-122.4117.5176.3-57.2173.1000108.8I184 I186 V284 L286 I371 Y390I184-I373 HydrophobicContact CD1-CD1 4.39Å; I186-I373 HydrophobicContact CD1-CB 4.17Å; I186-I373 HydrophobicContact CD1-CD1 4.15Å; I186-I373 HydrophobicContact CD1-CG2 3.57Å; V284-I373 HydrophobicContact CB-CB 4.42Å; V284-I373 PolarHBondContact N-O 3.01Å; V284-I373 PolarHBondContact O-N 3.49Å; L286-I373 HydrophobicContact CD1-CD1 4.03Å; I371-I373 HydrophobicContact CG2-CG1 4.3Å; I373-Y390 HydrophobicContact CD1-CD2 3.96Å; I373-Y390 HydrophobicContact CD1-CE2 4.48Å; I373-Y390 HydrophobicContact CD1-CG 4.02Å; I373-Y390 HydrophobicContact CG2-CD2 4.02Å; I373-Y390 HydrophobicContact CG2-CE1 4.02Å; I373-Y390 HydrophobicContact CG2-CE2 3.45Å; I373-Y390 VanDerWaalsContact CG2-CE2 3.45Å; I373-Y390 VanDerWaalsContact CG2-CZ 3.45Å
374N94.8Very high88.5Confident114 Ų11462 Ų6261%0.6134%0.342SS*.EExtended strand (participates in β ladder)trans-88.7127.4175.7-60.1-28.1000109.2
375H92.7Very high87.2Confident25 Ų2570 Ų7012%0.11638%0.376CS..EExtended strand (participates in β ladder)trans-133.8151.5179-172.571.6000110.5I186 N188 C282I186-H375 HydrophobicContact CG2-CB 4.3Å; N188-H375 PolarHBondContact OD1-NE2 2.83Å; C282-H375 PolarHBondContact N-O 3.46Å; C282-H375 PolarHBondContact O-N 3.35Å
376V92.1Very high86.4Confident89 Ų8975.9 Ų75.954%0.53940%0.401SS..EExtended strand (participates in β ladder)trans-118118.1175-174.20000108.1R281 S378R281-V376 HydrophobicContact CG-CG2 4.23Å; V376-S378 PolarHBondContact O-N 3.31Å
377I90.9Very high86Confident0 Ų073.9 Ų73.90%040%0.395CS..EExtended strand (participates in β ladder)trans-75.4106.5174.7-61.1164.9000106.9N188 W207 L209 L244 G279 V280 C282N188-I377 HydrophobicContact CB-CG2 4.13Å; W207-I377 HydrophobicContact CB-CG2 3.83Å; W207-I377 HydrophobicContact CD2-CD1 4.05Å; W207-I377 HydrophobicContact CD2-CG2 4.05Å; W207-I377 HydrophobicContact CE3-CD1 3.76Å; W207-I377 HydrophobicContact CE3-CG2 4.34Å; W207-I377 HydrophobicContact CG-CG2 3.84Å; W207-I377 HydrophobicContact CH2-CD1 3.82Å; W207-I377 HydrophobicContact CZ2-CD1 4.07Å; W207-I377 HydrophobicContact CZ3-CD1 3.66Å; L209-I377 HydrophobicContact CD1-CG1 4.35Å; L244-I377 HydrophobicContact CD2-CD1 4.35Å; G279-I377 CarbonylContact C-O 3.55Å; G279-I377 WeakPolarHBondContact CA-O 3.45Å; V280-I377 HydrophobicContact CB-CB 4.26Å; V280-I377 HydrophobicContact CB-CD1 4.23Å; V280-I377 PolarHBondContact N-O 3.2Å; V280-I377 WeakPolarHBondContact O-CB 3.28Å; V280-I377 PolarHBondContact O-N 2.89Å; C282-I377 HydrophobicContact CB-CD1 4.36Å
378S87.9Confident85.8Confident26 Ų2670.4 Ų70.418%0.18238%0.375CS..  trans-86.6140176.6-173.30000110.6N188 V376 D380 D383N188-S378 PolarHBondContact ND2-N 3.22Å; N188-S378 PolarHBondContact ND2-O 2.98Å; N188-S378 VanDerWaalsContact ND2-O 3.07Å; V376-S378 PolarHBondContact O-N 3.31Å; S378-D380 PolarHBondContact OG-N 3.11Å; S378-D383 PolarHBondContact OG-OD2 2.94Å; S378-D383 VanDerWaalsContact OG-OD2 3.06Å
379V86.1Confident85.8Confident38 Ų3872 Ų7223%0.2339%0.386CS..  trans-95.3-4.6173.3-63.40000112.2F190 P381F190-V379 HydrophobicContact CD1-CB 4.16Å; F190-V379 WeakPolarHBondContact CD1-O 3.44Å; F190-V379 HydrophobicContact CD2-CB 4.03Å; F190-V379 HydrophobicContact CD2-CG1 3.73Å; F190-V379 HydrophobicContact CE1-CB 4.25Å; F190-V379 HydrophobicContact CE2-CB 4.12Å; F190-V379 HydrophobicContact CE2-CG1 3.83Å; F190-V379 HydrophobicContact CG-CB 4.04Å; F190-V379 HydrophobicContact CG-CG1 4.21Å; F190-V379 HydrophobicContact CZ-CB 4.22Å; F190-V379 HydrophobicContact CZ-CG1 4.38Å; V379-P381 WeakPolarHBondContact O-CD 3.41Å
380D82.9Confident85.9Confident72 Ų7270.7 Ų70.739%0.38538%0.377SS..  trans-68.9125.2178.6-170.8-24.6000110.5S378 N382 D383S378-D380 PolarHBondContact OG-N 3.11Å; D380-N382 PolarHBondContact O-N 3.3Å; D380-N382 VanDerWaalsContact O-N 3.1Å; D380-N382 WeakPolarHBondContact OD1-CB 3.34Å; D380-N382 PolarHBondContact OD1-N 3.26Å; D380-D383 HydrophobicContact CB-CB 4.43Å; D380-D383 PolarHBondContact O-N 3.17Å
381P74.3Confident85.9Confident95 Ų9571.8 Ų71.862%0.61738%0.38SS*.THydrogen-bonded Turntrans-51.7-28.9173.6-27.134.9000114.6V379V379-P381 WeakPolarHBondContact O-CD 3.41Å
382N75.2Confident85.9Confident138 Ų13870.5 Ų70.574%0.73837%0.373SS*.THydrogen-bonded Turntrans-75.2-23.8180-70.2-37.5000113.5D380D380-N382 PolarHBondContact O-N 3.3Å; D380-N382 VanDerWaalsContact O-N 3.1Å; D380-N382 WeakPolarHBondContact OD1-CB 3.34Å; D380-N382 PolarHBondContact OD1-N 3.26Å
383D72.1Confident85.7Confident43 Ų4370 Ų7023%0.2337%0.372CS..THydrogen-bonded Turntrans-91.2-10-177.4-85.3-19.1000113.7S378 D380 K385 K386S378-D383 PolarHBondContact OG-OD2 2.94Å; S378-D383 VanDerWaalsContact OG-OD2 3.06Å; D380-D383 HydrophobicContact CB-CB 4.43Å; D380-D383 PolarHBondContact O-N 3.17Å; D383-K385 PolarHBondContact O-N 3.13Å; D383-K386 PolarHBondContact O-N 3.42Å; D383-K386 WeakPolarHBondContact OD1-CD 3.4Å; D383-K386 WeakPolarHBondContact OD1-CE 3.49Å; D383-K386 IonicContact OD1-NZ 2.98Å; D383-K386 PolarHBondContact OD1-NZ 3.02Å
384Q65.4Low85.5Confident59 Ų5969.9 Ų69.928%0.27637%0.372SS..THydrogen-bonded Turntrans-62.2-12.9-174.4-61.3-173.4-1.400115F190F190-Q384 PolarHBondContact O-NE2 2.87Å
385K67Low85.2Confident198 Ų19867.6 Ų67.686%0.86136%0.357SS*.THydrogen-bonded Turntrans-1031.4178.5-66-176.3-178.5176.40114D383 T387D383-K385 PolarHBondContact O-N 3.13Å; K385-T387 PolarHBondContact O-N 3.23Å
386K78.8Confident84.9Confident136 Ų13667.5 Ų67.559%0.59136%0.359SS*.  trans-84.3104.5179.9-69.4-179.6-178.3165.90109.9D383D383-K386 PolarHBondContact O-N 3.42Å; D383-K386 WeakPolarHBondContact OD1-CD 3.4Å; D383-K386 WeakPolarHBondContact OD1-CE 3.49Å; D383-K386 IonicContact OD1-NZ 2.98Å; D383-K386 PolarHBondContact OD1-NZ 3.02Å
387T86.1Confident84.3Confident69 Ų6966.1 Ų66.142%0.42335%0.348SS..  trans-92.6115.3169.9-53.60000109.6F185 K385F185-T387 HydrophobicContact CB-CG2 3.74Å; F185-T387 HydrophobicContact CD1-CG2 3.8Å; F185-T387 HydrophobicContact CG-CG2 4.25Å; K385-T387 PolarHBondContact O-N 3.23Å
388A90.9Very high83.7Confident25 Ų2567.5 Ų67.521%0.20736%0.355CS..EExtended strand (participates in β ladder)trans-74.3132.1170.600000109.5F185 I186 Y390F185-A388 WeakPolarHBondContact CA-O 3.39Å; I186-A388 HydrophobicContact CB-CB 4.44Å; I186-A388 PolarHBondContact N-O 2.87Å; I186-A388 PolarHBondContact O-N 3.06Å; A388-Y390 HydrophobicContact CB-CE2 3.64Å
389C93.1Very high83Confident70 Ų7069.9 Ų69.947%0.47337%0.369SS..EExtended strand (participates in β ladder)trans-118.5126.3-177.3-61.70000110.3I184 F185I184-C389 CarbonylContact O-C 3.5Å; I184-C389 VanDerWaalsContact O-CA 3.32Å; I184-C389 WeakPolarHBondContact O-CA 3.14Å; F185-C389 WeakPolarHBondContact CD1-SG 3.45Å
390Y94.7Very high82.7Confident84 Ų8471.5 Ų71.533%0.32938%0.376SS..EExtended strand (participates in β ladder)trans-125.6128.6179.1-58.1-87.2000110.2R183 I184 I186 I373 A388R183-Y390 CarbonylContact C-O 3.58Å; R183-Y390 WeakPolarHBondContact CA-O 3.45Å; I184-Y390 PolarHBondContact N-O 2.96Å; I184-Y390 PolarHBondContact O-N 3.3Å; I186-Y390 HydrophobicContact CD1-CD2 4.31Å; I186-Y390 HydrophobicContact CD1-CE2 4.04Å; I186-Y390 HydrophobicContact CG1-CE2 4.42Å; I373-Y390 HydrophobicContact CD1-CD2 3.96Å; I373-Y390 HydrophobicContact CD1-CE2 4.48Å; I373-Y390 HydrophobicContact CD1-CG 4.02Å; I373-Y390 HydrophobicContact CG2-CD2 4.02Å; I373-Y390 HydrophobicContact CG2-CE1 4.02Å; I373-Y390 HydrophobicContact CG2-CE2 3.45Å; I373-Y390 VanDerWaalsContact CG2-CE2 3.45Å; I373-Y390 VanDerWaalsContact CG2-CZ 3.45Å; A388-Y390 HydrophobicContact CB-CE2 3.64Å
391D94.1Very high82.6Confident66 Ų6671.8 Ų71.835%0.35337%0.374SS..EExtended strand (participates in β ladder)trans-101.9123.7177.1-73.4-12.9000110R183R183-D391 VanDerWaalsContact CB-OD1 3.3Å; R183-D391 WeakPolarHBondContact CB-OD1 3.28Å; R183-D391 VanDerWaalsContact CG-OD1 3.3Å; R183-D391 WeakPolarHBondContact CG-OD1 3.4Å; R183-D391 IonicContact CZ-OD1 3.23Å; R183-D391 IonicContact CZ-OD2 2.82Å; R183-D391 IonicContact NE-OD1 3.02Å; R183-D391 PolarHBondContact NE-OD1 3.45Å; R183-D391 IonicContact NE-OD2 2.58Å; R183-D391 IonicContact NH2-OD1 2.65Å; R183-D391 PolarHBondContact NH2-OD1 2.94Å; R183-D391 IonicContact NH2-OD2 2.66Å; R183-D391 PolarHBondContact NH2-OD2 3.04Å
392I93.6Very high83Confident21 Ų2171.9 Ų71.911%0.10837%0.373CS..EExtended strand (participates in β ladder)trans-120.9149.1176.567.6164.6000110.4K181 L182 I184 F237 L288 I371 V394K181-I392 CarbonylContact C-O 3.6Å; K181-I392 WeakPolarHBondContact CA-O 3.29Å; L182-I392 HydrophobicContact CB-CG1 3.98Å; L182-I392 HydrophobicContact CD2-CD1 4.25Å; L182-I392 HydrophobicContact CD2-CG1 4.42Å; L182-I392 HydrophobicContact CG-CG1 4.48Å; L182-I392 PolarHBondContact N-O 3.32Å; L182-I392 PolarHBondContact O-N 3.22Å; I184-I392 HydrophobicContact CD1-CD1 3.77Å; I184-I392 HydrophobicContact CD1-CG1 3.96Å; I184-I392 HydrophobicContact CD1-CG2 4.04Å; F237-I392 HydrophobicContact CE1-CD1 4.17Å; F237-I392 HydrophobicContact CZ-CD1 4.11Å; L288-I392 HydrophobicContact CD2-CD1 4.15Å; I371-I392 HydrophobicContact CD1-CB 4.26Å; I371-I392 HydrophobicContact CD1-CD1 3.55Å; I371-I392 HydrophobicContact CD1-CG2 4.08Å; I371-I392 HydrophobicContact CG2-CG2 4.49Å; I392-V394 HydrophobicContact CD1-CG1 4.07Å; I392-V394 HydrophobicContact CG1-CG1 4.17Å
393D91.6Very high83.4Confident94 Ų9471.2 Ų71.250%0.50337%0.365SS..EExtended strand (participates in β ladder)trans-86.6125.3176-66.9-25.8000110R180 K181R180-D393 CarbonylContact O-C 3.47Å; R180-D393 WeakPolarHBondContact O-CA 3.35Å; K181-D393 IonicContact NZ-OD1 3.42Å
394V91Very high84.1Confident6 Ų670.8 Ų70.84%0.03636%0.362CS..EExtended strand (participates in β ladder)trans-122.9148.8177.1-63.20000111K179 R180 L182 L215 F236 L288 I392 V396K179-V394 WeakPolarHBondContact CA-O 3.46Å; R180-V394 PolarHBondContact N-O 2.86Å; R180-V394 PolarHBondContact O-N 3.1Å; L182-V394 HydrophobicContact CB-CB 4.47Å; L182-V394 HydrophobicContact CB-CG1 3.81Å; L182-V394 HydrophobicContact CB-CG2 3.78Å; L182-V394 HydrophobicContact CD2-CG1 3.92Å; L215-V394 HydrophobicContact CD1-CG2 3.68Å; F236-V394 HydrophobicContact CD1-CB 3.92Å; F236-V394 HydrophobicContact CD1-CG1 4.22Å; F236-V394 HydrophobicContact CD1-CG2 3.91Å; F236-V394 HydrophobicContact CE1-CB 4.24Å; F236-V394 HydrophobicContact CE1-CG2 3.76Å; F236-V394 HydrophobicContact CZ-CG2 4.43Å; L288-V394 HydrophobicContact CD2-CG1 4.06Å; I392-V394 HydrophobicContact CD1-CG1 4.07Å; I392-V394 HydrophobicContact CG1-CG1 4.17Å; V394-V396 HydrophobicContact CG2-CG2 4.47Å
395E88.1Confident85.1Confident65 Ų6571 Ų7130%0.30437%0.366SS..EExtended strand (participates in β ladder)trans-91.6127.7178-72.2-176.1177.200111.4K177 Q178 K179K177-E395 HydrophobicContact CB-CB 4.13Å; K177-E395 HydrophobicContact CB-CG 4.34Å; Q178-E395 WeakPolarHBondContact O-CA 3.48Å; K179-E395 HydrophobicContact CG-CG 4.42Å
396V86.7Confident86Confident24 Ų2465.5 Ų65.515%0.14535%0.351CS..EExtended strand (participates in β ladder)trans-119.4142.5178.8-169.60000109.7K177 Q178 R180 L215 F236 V394K177-V396 WeakPolarHBondContact CA-O 3.46Å; Q178-V396 PolarHBondContact N-O 2.77Å; Q178-V396 PolarHBondContact O-N 3.13Å; R180-V396 HydrophobicContact CB-CG2 4.11Å; R180-V396 HydrophobicContact CG-CB 4.47Å; R180-V396 HydrophobicContact CG-CG2 3.97Å; L215-V396 HydrophobicContact CD1-CG2 4.42Å; L215-V396 HydrophobicContact CD2-CG2 4.25Å; F236-V396 HydrophobicContact CE1-CG2 4.16Å; V394-V396 HydrophobicContact CG2-CG2 4.47Å
397D80Confident86.3Confident59 Ų5963.5 Ų63.532%0.31634%0.343SS..EExtended strand (participates in β ladder)trans-59.2135.4172.4-85.14.5000110.6K177 K401K177-D397 WeakPolarHBondContact CD-OD1 3.27Å; K177-D397 VanDerWaalsContact CE-OD1 3.26Å; K177-D397 WeakPolarHBondContact CE-OD1 3.36Å; K177-D397 IonicContact NZ-OD1 2.75Å; K177-D397 PolarHBondContact NZ-OD1 2.95Å; D397-K401 IonicContact OD2-NZ 3.69Å; D397-K401 PolarHBondContact OD2-NZ 3.18Å
398D78Confident86.3Confident29 Ų2961.2 Ų61.216%0.15533%0.328CS..  trans-65.9134.9173.3-162.7-36.1000111.5I176 Q178 L400 K401I176-D398 HydrophobicContact CB-CB 4.44Å; I176-D398 WeakPolarHBondContact O-CB 3.45Å; I176-D398 PolarHBondContact O-N 2.96Å; Q178-D398 HydrophobicContact CG-CB 4.47Å; Q178-D398 PolarHBondContact NE2-OD1 3.32Å; Q178-D398 PolarHBondContact NE2-OD2 3.46Å; D398-L400 PolarHBondContact O-N 2.94Å; D398-L400 VanDerWaalsContact O-N 3.13Å; D398-L400 WeakPolarHBondContact OD1-CB 3.4Å; D398-L400 PolarHBondContact OD1-N 3.28Å; D398-K401 VanDerWaalsContact O-CB 3.3Å; D398-K401 WeakPolarHBondContact O-CB 3.36Å; D398-K401 PolarHBondContact O-N 3.48Å; D398-K401 VanDerWaalsContact O-N 3.11Å
399T73.6Confident85.9Confident76 Ų7666.5 Ų66.547%0.46635%0.352SS..THydrogen-bonded Turntrans-53.7-26.5171.6600000113.8K401 T402T399-K401 PolarHBondContact O-N 3.44Å; T399-T402 PolarHBondContact O-N 2.86Å; T399-T402 VanDerWaalsContact O-N 3.17Å
400L79.5Confident85.3Confident72 Ų7266.6 Ų66.638%0.37735%0.354SS..Hα-helixtrans-59-30.5177.8-169.167.7000112.3D398 T402 Q403 M404D398-L400 PolarHBondContact O-N 2.94Å; D398-L400 VanDerWaalsContact O-N 3.13Å; D398-L400 WeakPolarHBondContact OD1-CB 3.4Å; D398-L400 PolarHBondContact OD1-N 3.28Å; L400-T402 VanDerWaalsContact C-N 3.27Å; L400-T402 PolarHBondContact O-N 2.78Å; L400-Q403 PolarHBondContact O-N 2.92Å; L400-M404 HydrophobicContact CD2-SD 3.99Å; L400-M404 HydrophobicContact CG-CG 4.07Å; L400-M404 HydrophobicContact CG-SD 3.83Å; L400-M404 WeakPolarHBondContact O-CB 3.32Å; L400-M404 VanDerWaalsContact O-CG 3.3Å; L400-M404 WeakPolarHBondContact O-CG 3.5Å; L400-M404 PolarHBondContact O-N 3.25Å
401K81.6Confident83.9Confident79 Ų7965.7 Ų65.734%0.34336%0.357SS..Hα-helixtrans-56.1-41.5177.3-176.2179.8175.8-178.10112L172 D397 D398 T399 N405L172-K401 HydrophobicContact CD2-CB 4.4Å; L172-K401 HydrophobicContact CD2-CG 3.91Å; D397-K401 IonicContact OD2-NZ 3.69Å; D397-K401 PolarHBondContact OD2-NZ 3.18Å; D398-K401 VanDerWaalsContact O-CB 3.3Å; D398-K401 WeakPolarHBondContact O-CB 3.36Å; D398-K401 PolarHBondContact O-N 3.48Å; D398-K401 VanDerWaalsContact O-N 3.11Å; T399-K401 PolarHBondContact O-N 3.44Å; K401-N405 WeakPolarHBondContact O-CB 3.46Å; K401-N405 PolarHBondContact O-N 3.04Å; K401-N405 PolarHBondContact O-ND2 3.23Å
402T81.9Confident82.4Confident97 Ų9767 Ų6760%0.59538%0.377SS*.Hα-helixtrans-69.3-42.4179.5-55.20000111.2T399 L400 N405 S406T399-T402 PolarHBondContact O-N 2.86Å; T399-T402 VanDerWaalsContact O-N 3.17Å; L400-T402 VanDerWaalsContact C-N 3.27Å; L400-T402 PolarHBondContact O-N 2.78Å; T402-N405 PolarHBondContact O-N 3.26Å; T402-S406 WeakPolarHBondContact O-CB 3.18Å; T402-S406 PolarHBondContact O-N 3.48Å
403Q83.3Confident81.4Confident123 Ų12369.3 Ų69.358%0.57540%0.395SS*.Hα-helixtrans-64.2-44.9177.4-63.1178.70.500111.6L400 N405 S406 F407L400-Q403 PolarHBondContact O-N 2.92Å; Q403-N405 PolarHBondContact O-N 3.47Å; Q403-S406 WeakPolarHBondContact O-CB 3.33Å; Q403-S406 PolarHBondContact O-N 3.32Å; Q403-F407 PolarHBondContact O-N 3.27Å
404M86.6Confident80.9Confident34 Ų3470 Ų7017%0.16740%0.395CS..Hα-helixtrans-61-44.3176.1-73.5173.4104.400112I168 A171 L172 L400 S406 F407 L408I168-M404 HydrophobicContact CB-CE 4.05Å; I168-M404 HydrophobicContact CG1-CE 3.98Å; I168-M404 HydrophobicContact CG2-CB 3.81Å; I168-M404 HydrophobicContact CG2-CE 3.75Å; I168-M404 HydrophobicContact CG2-CG 4.05Å; A171-M404 HydrophobicContact CB-CE 3.73Å; L172-M404 HydrophobicContact CD1-CB 4.09Å; L172-M404 HydrophobicContact CD2-CB 3.94Å; L172-M404 HydrophobicContact CD2-SD 4.09Å; L172-M404 HydrophobicContact CG-CB 4.17Å; L172-M404 HydrophobicContact CG-SD 4.34Å; L400-M404 HydrophobicContact CD2-SD 3.99Å; L400-M404 HydrophobicContact CG-CG 4.07Å; L400-M404 HydrophobicContact CG-SD 3.83Å; L400-M404 WeakPolarHBondContact O-CB 3.32Å; L400-M404 VanDerWaalsContact O-CG 3.3Å; L400-M404 WeakPolarHBondContact O-CG 3.5Å; L400-M404 PolarHBondContact O-N 3.25Å; M404-S406 VanDerWaalsContact C-N 3.34Å; M404-F407 PolarHBondContact O-N 2.88Å; M404-L408 WeakPolarHBondContact O-CG 3.45Å; M404-L408 PolarHBondContact O-N 3.27Å
405N86.2Confident80.7Confident65 Ų6578.1 Ų78.135%0.34843%0.433SS..Hα-helixtrans-63.5-40.8175.2-79.5-50.5000112K401 T402 Q403 F407 L408 L409K401-N405 WeakPolarHBondContact O-CB 3.46Å; K401-N405 PolarHBondContact O-N 3.04Å; K401-N405 PolarHBondContact O-ND2 3.23Å; T402-N405 PolarHBondContact O-N 3.26Å; Q403-N405 PolarHBondContact O-N 3.47Å; N405-F407 VanDerWaalsContact C-N 3.35Å; N405-F407 PolarHBondContact O-N 3.37Å; N405-L408 PolarHBondContact O-N 2.86Å; N405-L409 WeakPolarHBondContact O-CB 3.36Å; N405-L409 VanDerWaalsContact O-CG 3.31Å; N405-L409 WeakPolarHBondContact O-CG 3.35Å; N405-L409 PolarHBondContact O-N 2.64Å
406S86.9Confident80.8Confident81 Ų8181.4 Ų81.457%0.56645%0.448SS*.Hα-helixtrans-59.2-45.1174.4-178.40000111.5T402 Q403 M404 L408 L409 S410T402-S406 WeakPolarHBondContact O-CB 3.18Å; T402-S406 PolarHBondContact O-N 3.48Å; Q403-S406 WeakPolarHBondContact O-CB 3.33Å; Q403-S406 PolarHBondContact O-N 3.32Å; M404-S406 VanDerWaalsContact C-N 3.34Å; S406-L408 PolarHBondContact O-N 2.86Å; S406-L409 PolarHBondContact O-N 3.45Å; S406-S410 WeakPolarHBondContact O-CB 3.05Å; S406-S410 PolarHBondContact O-N 3.37Å
407F85.9Confident80.9Confident94 Ų9484.6 Ų84.641%0.41246%0.463SS..Hα-helixtrans-59.7-45.2174.5177.5-97.6000112.4I168 Q403 M404 N405 L409 S410I168-F407 HydrophobicContact CD1-CD1 3.51Å; I168-F407 HydrophobicContact CD1-CE1 3.62Å; I168-F407 HydrophobicContact CD1-CG 4.4Å; Q403-F407 PolarHBondContact O-N 3.27Å; M404-F407 PolarHBondContact O-N 2.88Å; N405-F407 VanDerWaalsContact C-N 3.35Å; N405-F407 PolarHBondContact O-N 3.37Å; F407-L409 VanDerWaalsContact C-N 3.33Å; F407-L409 PolarHBondContact O-N 2.82Å; F407-S410 PolarHBondContact O-N 2.81Å; F407-S410 PolarHBondContact O-OG 2.85Å
408L85.9Confident81.3Confident21 Ų2183.9 Ų83.911%0.1147%0.466CS..Hα-helixtrans-65.9-33.6-179.4-70.5-176.9000114.1R165 I168 Q169 L172 M404 N405 S406R165-L408 HydrophobicContact CG-CD2 3.45Å; R165-L408 VanDerWaalsContact CG-CD2 3.45Å; R165-L408 PolarHBondContact NH2-O 2.83Å; R165-L408 VanDerWaalsContact NH2-O 3.1Å; I168-L408 HydrophobicContact CB-CD2 4.37Å; I168-L408 HydrophobicContact CG2-CD1 4.04Å; I168-L408 HydrophobicContact CG2-CD2 3.92Å; I168-L408 HydrophobicContact CG2-CG 3.87Å; Q169-L408 HydrophobicContact CG-CD1 3.7Å; Q169-L408 HydrophobicContact CG-CD2 3.91Å; Q169-L408 HydrophobicContact CG-CG 4.49Å; L172-L408 HydrophobicContact CD1-CD1 3.44Å; L172-L408 VanDerWaalsContact CD1-CD1 3.44Å; M404-L408 WeakPolarHBondContact O-CG 3.45Å; M404-L408 PolarHBondContact O-N 3.27Å; N405-L408 PolarHBondContact O-N 2.86Å; S406-L408 PolarHBondContact O-N 2.86Å
409L82.8Confident81.9Confident136 Ų13684.3 Ų84.371%0.71248%0.477SS*.Hα-helixtrans-83.4-19.9178.1-70170.1000112.5N405 S406 F407 T411N405-L409 WeakPolarHBondContact O-CB 3.36Å; N405-L409 VanDerWaalsContact O-CG 3.31Å; N405-L409 WeakPolarHBondContact O-CG 3.35Å; N405-L409 PolarHBondContact O-N 2.64Å; S406-L409 PolarHBondContact O-N 3.45Å; F407-L409 VanDerWaalsContact C-N 3.33Å; F407-L409 PolarHBondContact O-N 2.82Å; L409-T411 VanDerWaalsContact C-N 3.33Å; L409-T411 PolarHBondContact O-N 3.19Å
410S78.6Confident82.8Confident72 Ų7285.3 Ų85.350%0.50348%0.479SS..  trans-66.593.8175.1740000110S406 F407S406-S410 WeakPolarHBondContact O-CB 3.05Å; S406-S410 PolarHBondContact O-N 3.37Å; F407-S410 PolarHBondContact O-N 2.81Å; F407-S410 PolarHBondContact O-OG 2.85Å
411T67.1Low83.4Confident66 Ų6683.4 Ų83.441%0.40547%0.469SS..  trans-109.38.8169.555.80000111.4L409 S413 Q414L409-T411 VanDerWaalsContact C-N 3.33Å; L409-T411 PolarHBondContact O-N 3.19Å; T411-S413 PolarHBondContact O-N 3.35Å; T411-Q414 WeakPolarHBondContact O-CB 3.26Å; T411-Q414 PolarHBondContact O-N 3.15Å
412A61.7Low83.8Confident94 Ų9482.9 Ų82.978%0.77747%0.47SS*.THydrogen-bonded Turntrans-53.1-30.8-16600000113.9
413S72.1Confident84.4Confident68 Ų6885 Ų8548%0.47647%0.471SS..THydrogen-bonded Turntrans-960.9-178-48.40000114.7T411 Q415 E416 I417T411-S413 PolarHBondContact O-N 3.35Å; S413-Q415 PolarHBondContact O-N 3.22Å; S413-E416 PolarHBondContact O-N 2.98Å; S413-I417 WeakPolarHBondContact O-CD1 3.3Å; S413-I417 WeakPolarHBondContact O-CG1 3.3Å; S413-I417 PolarHBondContact O-N 2.83Å
414Q82.3Confident84.8Confident109 Ų10981.8 Ų81.851%0.50946%0.457SS..Hα-helixtrans-68.4-33.3-176-71.7-178.3-2.800113.3T411 A418T411-Q414 WeakPolarHBondContact O-CB 3.26Å; T411-Q414 PolarHBondContact O-N 3.15Å; Q414-A418 WeakPolarHBondContact O-CB 3.32Å; Q414-A418 PolarHBondContact O-N 3Å
415Q85.8Confident84.9Confident176 Ų17681.6 Ų81.682%0.82246%0.456SS*.Hα-helixtrans-70.8-41178.5-69.1-178.4-7.300111.7S413 A418 G419S413-Q415 PolarHBondContact O-N 3.22Å; Q415-A418 PolarHBondContact O-N 2.6Å; Q415-G419 PolarHBondContact O-N 3.35Å
416E90.1Very high85.2Confident134 Ų13484.4 Ų84.463%0.62647%0.467SS*.Hα-helixtrans-64.1-45.2175.6-173.2179.9-176.700111.2S413 A418 G419 L420S413-E416 PolarHBondContact O-N 2.98Å; E416-A418 VanDerWaalsContact C-N 3.3Å; E416-A418 PolarHBondContact O-N 2.83Å; E416-G419 PolarHBondContact O-N 2.8Å; E416-G419 VanDerWaalsContact O-N 3.1Å; E416-L420 PolarHBondContact O-N 2.83Å
417I89.1Confident85.5Confident91 Ų9184 Ų8447%0.46746%0.461SS..Hα-helixtrans-57.7-44174-67.8166.4000110.7S413 G419 L420 D421S413-I417 WeakPolarHBondContact O-CD1 3.3Å; S413-I417 WeakPolarHBondContact O-CG1 3.3Å; S413-I417 PolarHBondContact O-N 2.83Å; I417-G419 VanDerWaalsContact C-N 3.29Å; I417-G419 PolarHBondContact O-N 2.71Å; I417-L420 PolarHBondContact O-N 2.83Å; I417-D421 WeakPolarHBondContact O-CB 3.21Å; I417-D421 PolarHBondContact O-N 3.01Å
418A88.8Confident85.7Confident44 Ų4480 Ų8036%0.36444%0.444SS..Hα-helixtrans-63.1-35.8177.500000112.8Q414 Q415 E416 N422Q414-A418 WeakPolarHBondContact O-CB 3.32Å; Q414-A418 PolarHBondContact O-N 3Å; Q415-A418 PolarHBondContact O-N 2.6Å; E416-A418 VanDerWaalsContact C-N 3.3Å; E416-A418 PolarHBondContact O-N 2.83Å; A418-N422 PolarHBondContact O-N 3.14Å; A418-N422 PolarHBondContact O-ND2 3.3Å
419G91.4Very high85.9Confident38 Ų3884.6 Ų84.639%0.39247%0.465SS..Hα-helixtrans-66.7-46.1173.700000112.7Q415 E416 I417 D421 N422 K423Q415-G419 PolarHBondContact O-N 3.35Å; E416-G419 PolarHBondContact O-N 2.8Å; E416-G419 VanDerWaalsContact O-N 3.1Å; I417-G419 VanDerWaalsContact C-N 3.29Å; I417-G419 PolarHBondContact O-N 2.71Å; G419-D421 VanDerWaalsContact C-N 3.32Å; G419-D421 PolarHBondContact O-N 2.87Å; G419-N422 WeakPolarHBondContact O-CB 3.36Å; G419-N422 PolarHBondContact O-N 3.02Å; G419-K423 PolarHBondContact O-N 2.85Å; G419-K423 VanDerWaalsContact O-N 3.13Å
420L92.4Very high86.5Confident97 Ų9781.4 Ų81.451%0.50845%0.451SS..Hα-helixtrans-62.2-41.3175.1-70.5173.6000111.6E416 I417 N422 K423 I424E416-L420 PolarHBondContact O-N 2.83Å; I417-L420 PolarHBondContact O-N 2.83Å; L420-N422 PolarHBondContact O-N 3.03Å; L420-K423 WeakPolarHBondContact O-CB 3.28Å; L420-K423 PolarHBondContact O-N 2.89Å; L420-I424 WeakPolarHBondContact O-CG1 3.41Å; L420-I424 PolarHBondContact O-N 2.83Å
421D90.6Very high87.1Confident32 Ų3280.6 Ų80.617%0.17144%0.441CS..Hα-helixtrans-59-47.5174.3-92.6-9.2000111.4K131 I417 G419 K423 I424 H425K131-D421 IonicContact NZ-OD1 2.64Å; K131-D421 PolarHBondContact NZ-OD1 3.26Å; K131-D421 IonicContact NZ-OD2 2.89Å; K131-D421 PolarHBondContact NZ-OD2 3.17Å; I417-D421 WeakPolarHBondContact O-CB 3.21Å; I417-D421 PolarHBondContact O-N 3.01Å; G419-D421 VanDerWaalsContact C-N 3.32Å; G419-D421 PolarHBondContact O-N 2.87Å; D421-K423 VanDerWaalsContact C-N 3.28Å; D421-K423 PolarHBondContact O-N 2.94Å; D421-I424 WeakPolarHBondContact O-CB 3.25Å; D421-I424 PolarHBondContact O-N 3.03Å; D421-H425 PolarHBondContact O-N 3.4Å; D421-H425 PolarHBondContact O-ND1 3.26Å
422N90.4Very high88.2Confident69 Ų6980.1 Ų80.137%0.36944%0.436SS..Hα-helixtrans-54.8-46.7175.7-75.6-26.1000111.7K126 A418 G419 L420 I424 H425 E426K126-N422 VanDerWaalsContact CE-OD1 3.31Å; K126-N422 WeakPolarHBondContact CE-OD1 3.41Å; K126-N422 PolarHBondContact NZ-OD1 3.38Å; A418-N422 PolarHBondContact O-N 3.14Å; A418-N422 PolarHBondContact O-ND2 3.3Å; G419-N422 WeakPolarHBondContact O-CB 3.36Å; G419-N422 PolarHBondContact O-N 3.02Å; L420-N422 PolarHBondContact O-N 3.03Å; N422-I424 VanDerWaalsContact C-N 3.31Å; N422-I424 PolarHBondContact O-N 3.34Å; N422-H425 PolarHBondContact O-N 2.99Å; N422-H425 VanDerWaalsContact O-N 3.09Å; N422-E426 WeakPolarHBondContact O-CG 3.32Å; N422-E426 PolarHBondContact O-N 2.92Å
423K94.6Very high89.6Confident140 Ų14080.5 Ų80.561%0.60942%0.421SS*.Hα-helixtrans-62.1-38.6179.5-167.7174.7-177.2178.20112.3G419 L420 D421 T427G419-K423 PolarHBondContact O-N 2.85Å; G419-K423 VanDerWaalsContact O-N 3.13Å; L420-K423 WeakPolarHBondContact O-CB 3.28Å; L420-K423 PolarHBondContact O-N 2.89Å; D421-K423 VanDerWaalsContact C-N 3.28Å; D421-K423 PolarHBondContact O-N 2.94Å; K423-T427 WeakPolarHBondContact O-CB 3.49Å; K423-T427 PolarHBondContact O-N 2.88Å; K423-T427 PolarHBondContact O-OG1 3.45Å
424I91.6Very high90.6Very high57 Ų5782 Ų8229%0.29242%0.424SS..Hα-helixtrans-60.1-46.6173-70.9167.7000110.3Y147 L420 D421 N422 T427 I428Y147-I424 WeakPolarHBondContact OH-CG2 3.26Å; L420-I424 WeakPolarHBondContact O-CG1 3.41Å; L420-I424 PolarHBondContact O-N 2.83Å; D421-I424 WeakPolarHBondContact O-CB 3.25Å; D421-I424 PolarHBondContact O-N 3.03Å; N422-I424 VanDerWaalsContact C-N 3.31Å; N422-I424 PolarHBondContact O-N 3.34Å; I424-T427 PolarHBondContact O-N 3.27Å; I424-I428 HydrophobicContact CG2-CD1 3.8Å; I424-I428 WeakPolarHBondContact O-CG1 3.37Å; I424-I428 PolarHBondContact O-N 2.92Å
425H89.4Confident91.1Very high29 Ų2978.4 Ų78.413%0.13441%0.406CS..Hα-helixtrans-63.6-48.1-179.6-70.182.8000112D421 N422 T427 I428 E429D421-H425 PolarHBondContact O-N 3.4Å; D421-H425 PolarHBondContact O-ND1 3.26Å; N422-H425 PolarHBondContact O-N 2.99Å; N422-H425 VanDerWaalsContact O-N 3.09Å; H425-T427 VanDerWaalsContact C-N 3.26Å; H425-T427 PolarHBondContact O-N 2.79Å; H425-I428 PolarHBondContact O-N 3.42Å; H425-E429 PolarHBondContact O-N 2.92Å
426E92.3Very high91.4Very high124 Ų12474.2 Ų74.258%0.57939%0.393SS*.Hα-helixtrans-58.6-39.8177.2-71.2171.6-170.800111.7N422 E429 T430N422-E426 WeakPolarHBondContact O-CG 3.32Å; N422-E426 PolarHBondContact O-N 2.92Å; E426-E429 PolarHBondContact O-N 2.79Å; E426-T430 PolarHBondContact O-N 3.08Å; E426-T430 PolarHBondContact O-OG1 3.46Å
427T93Very high91.6Very high72 Ų7273.2 Ų73.244%0.44239%0.388SS..Hα-helixtrans-66.6-43.5177.5-55.30000111.3K423 I424 H425 E429 T430 I431K423-T427 WeakPolarHBondContact O-CB 3.49Å; K423-T427 PolarHBondContact O-N 2.88Å; K423-T427 PolarHBondContact O-OG1 3.45Å; I424-T427 PolarHBondContact O-N 3.27Å; H425-T427 VanDerWaalsContact C-N 3.26Å; H425-T427 PolarHBondContact O-N 2.79Å; T427-E429 PolarHBondContact O-N 2.89Å; T427-T430 PolarHBondContact O-N 2.73Å; T427-I431 HydrophobicContact CG2-CD1 4.11Å; T427-I431 VanDerWaalsContact O-CG1 3.28Å; T427-I431 WeakPolarHBondContact O-CG1 3.47Å; T427-I431 PolarHBondContact O-N 3.33Å
428I90.9Very high91.8Very high10 Ų1074.6 Ų74.65%0.05139%0.387CS..Hα-helixtrans-64.2-40.4177.2-71171.4000111.3K131 L133 I424 H425 T430 I431 N432K131-I428 WeakPolarHBondContact O-CD1 3.47Å; L133-I428 HydrophobicContact CD2-CG1 4.14Å; I424-I428 HydrophobicContact CG2-CD1 3.8Å; I424-I428 WeakPolarHBondContact O-CG1 3.37Å; I424-I428 PolarHBondContact O-N 2.92Å; H425-I428 PolarHBondContact O-N 3.42Å; I428-T430 VanDerWaalsContact C-N 3.34Å; I428-I431 WeakPolarHBondContact O-CB 3.39Å; I428-I431 PolarHBondContact O-N 2.78Å; I428-N432 VanDerWaalsContact O-CG 3.3Å; I428-N432 PolarHBondContact O-N 3.3Å; I428-N432 PolarHBondContact O-ND2 3.43Å
429E90.1Very high91.9Very high118 Ų11874.9 Ų74.955%0.55138%0.381SS*.Hα-helixtrans-61.2-45.4175.4-173.7173.4-173.600111.2H425 E426 T427 I431 N432 Q433H425-E429 PolarHBondContact O-N 2.92Å; E426-E429 PolarHBondContact O-N 2.79Å; T427-E429 PolarHBondContact O-N 2.89Å; E429-I431 VanDerWaalsContact C-N 3.34Å; E429-I431 PolarHBondContact O-N 3.13Å; E429-N432 WeakPolarHBondContact O-CB 3.46Å; E429-N432 PolarHBondContact O-N 2.85Å; E429-N432 VanDerWaalsContact O-N 3.12Å; E429-Q433 WeakPolarHBondContact O-CG 3.43Å; E429-Q433 PolarHBondContact O-N 3.44Å
430T94.3Very high92.1Very high70 Ų7077 Ų7743%0.42938%0.38SS..Hα-helixtrans-59.8-43.7174.8-52.40000111.3E426 T427 I428 N432 Q433 L434E426-T430 PolarHBondContact O-N 3.08Å; E426-T430 PolarHBondContact O-OG1 3.46Å; T427-T430 PolarHBondContact O-N 2.73Å; I428-T430 VanDerWaalsContact C-N 3.34Å; T430-N432 VanDerWaalsContact C-N 3.3Å; T430-N432 PolarHBondContact O-N 3.25Å; T430-Q433 PolarHBondContact O-N 3.07Å; T430-L434 HydrophobicContact CG2-CD1 4.13Å; T430-L434 HydrophobicContact CG2-CG 4.48Å; T430-L434 WeakPolarHBondContact O-CB 3.17Å; T430-L434 WeakPolarHBondContact O-CG 3.06Å; T430-L434 PolarHBondContact O-N 2.75Å
431I91.2Very high92.2Very high54 Ų5478.2 Ų78.228%0.27738%0.384SS..Hα-helixtrans-58.9-41.9174.8-71.2165.9000111L133 I137 T427 I428 E429 L434 K435L133-I431 HydrophobicContact CD2-CD1 4.2Å; L133-I431 HydrophobicContact CD2-CG2 4.44Å; I137-I431 HydrophobicContact CD1-CG2 4.4Å; I137-I431 HydrophobicContact CG1-CG2 4.18Å; I137-I431 HydrophobicContact CG2-CG2 4.2Å; T427-I431 HydrophobicContact CG2-CD1 4.11Å; T427-I431 VanDerWaalsContact O-CG1 3.28Å; T427-I431 WeakPolarHBondContact O-CG1 3.47Å; T427-I431 PolarHBondContact O-N 3.33Å; I428-I431 WeakPolarHBondContact O-CB 3.39Å; I428-I431 PolarHBondContact O-N 2.78Å; E429-I431 VanDerWaalsContact C-N 3.34Å; E429-I431 PolarHBondContact O-N 3.13Å; I431-L434 PolarHBondContact O-N 3.21Å; I431-K435 VanDerWaalsContact O-CB 3.29Å; I431-K435 WeakPolarHBondContact O-CB 3.12Å; I431-K435 PolarHBondContact O-N 3.12Å
432N89.5Confident92.4Very high57 Ų5780.9 Ų80.931%0.30540%0.398SS..Hα-helixtrans-67.2-39.2179-72.3-31.9000112.7P134 I428 E429 T430 K435 T436P134-N432 WeakPolarHBondContact CD-OD1 3.26Å; P134-N432 WeakPolarHBondContact CG-OD1 3.44Å; I428-N432 VanDerWaalsContact O-CG 3.3Å; I428-N432 PolarHBondContact O-N 3.3Å; I428-N432 PolarHBondContact O-ND2 3.43Å; E429-N432 WeakPolarHBondContact O-CB 3.46Å; E429-N432 PolarHBondContact O-N 2.85Å; E429-N432 VanDerWaalsContact O-N 3.12Å; T430-N432 VanDerWaalsContact C-N 3.3Å; T430-N432 PolarHBondContact O-N 3.25Å; N432-K435 WeakPolarHBondContact O-CB 3.4Å; N432-T436 PolarHBondContact O-N 3.48Å; N432-T436 VanDerWaalsContact O-N 3.1Å; N432-T436 PolarHBondContact O-OG1 2.96Å
433Q92.3Very high92.6Very high101 Ų10180 Ų8047%0.47240%0.397SS..Hα-helixtrans-63-49.8174.3-68.6172.79.300110.6E429 T430 K435 T436 Q437E429-Q433 WeakPolarHBondContact O-CG 3.43Å; E429-Q433 PolarHBondContact O-N 3.44Å; T430-Q433 PolarHBondContact O-N 3.07Å; Q433-K435 VanDerWaalsContact C-N 3.34Å; Q433-K435 PolarHBondContact O-N 3.44Å; Q433-T436 PolarHBondContact O-N 2.83Å; Q433-T436 VanDerWaalsContact O-N 3.15Å; Q433-Q437 WeakPolarHBondContact O-CG 3.41Å; Q433-Q437 PolarHBondContact O-N 3.25Å
434L93.7Very high92.7Very high100 Ų10077.7 Ų77.752%0.52439%0.387SS..Hα-helixtrans-63.5-37.3178.4-68.8175.2000112.5T430 I431 T436 Q437 R438T430-L434 HydrophobicContact CG2-CD1 4.13Å; T430-L434 HydrophobicContact CG2-CG 4.48Å; T430-L434 WeakPolarHBondContact O-CB 3.17Å; T430-L434 WeakPolarHBondContact O-CG 3.06Å; T430-L434 PolarHBondContact O-N 2.75Å; I431-L434 PolarHBondContact O-N 3.21Å; L434-T436 VanDerWaalsContact C-N 3.34Å; L434-T436 PolarHBondContact O-N 3.41Å; L434-Q437 PolarHBondContact O-N 3.1Å; L434-R438 VanDerWaalsContact O-CB 3.32Å; L434-R438 WeakPolarHBondContact O-CB 3.28Å; L434-R438 PolarHBondContact O-N 3.29Å
435K91.9Very high92.9Very high34 Ų3478.8 Ų78.815%0.14840%0.404CS..Hα-helixtrans-55.5-50.5171.7-177.6-155.3175.6-101.80110.9I137 I431 N432 Q433 R438 E439I137-K435 HydrophobicContact CD1-CB 3.74Å; I137-K435 HydrophobicContact CD1-CD 4.27Å; I137-K435 HydrophobicContact CD1-CG 3.61Å; I137-K435 HydrophobicContact CG1-CB 4.09Å; I137-K435 HydrophobicContact CG1-CD 3.89Å; I137-K435 HydrophobicContact CG1-CG 3.82Å; I431-K435 VanDerWaalsContact O-CB 3.29Å; I431-K435 WeakPolarHBondContact O-CB 3.12Å; I431-K435 PolarHBondContact O-N 3.12Å; N432-K435 WeakPolarHBondContact O-CB 3.4Å; Q433-K435 VanDerWaalsContact C-N 3.34Å; Q433-K435 PolarHBondContact O-N 3.44Å; K435-R438 PolarHBondContact O-N 2.77Å; K435-E439 WeakPolarHBondContact CE-OE1 3.29Å; K435-E439 IonicContact NZ-OE1 2.72Å; K435-E439 PolarHBondContact NZ-OE1 2.77Å; K435-E439 IonicContact NZ-OE2 2.85Å; K435-E439 PolarHBondContact NZ-OE2 3.05Å; K435-E439 WeakPolarHBondContact O-CG 3.06Å; K435-E439 PolarHBondContact O-N 3.06Å
436T91.7Very high93.3Very high87 Ų8788.2 Ų88.253%0.53444%0.439SS..Hα-helixtrans-64.6-43.5-176-54.60000110.5N432 Q433 L434 E439 F440N432-T436 PolarHBondContact O-N 3.48Å; N432-T436 VanDerWaalsContact O-N 3.1Å; N432-T436 PolarHBondContact O-OG1 2.96Å; Q433-T436 PolarHBondContact O-N 2.83Å; Q433-T436 VanDerWaalsContact O-N 3.15Å; L434-T436 VanDerWaalsContact C-N 3.34Å; L434-T436 PolarHBondContact O-N 3.41Å; T436-E439 PolarHBondContact O-N 3.1Å; T436-F440 WeakPolarHBondContact O-CB 3.48Å; T436-F440 PolarHBondContact O-N 3.3Å
437Q94.2Very high93.4Very high113 Ų11386.3 Ų86.353%0.52843%0.433SS..Hα-helixtrans-60.3-46.1173.3-68.61754.100111.8Q433 L434 E439 F440 M441Q433-Q437 WeakPolarHBondContact O-CG 3.41Å; Q433-Q437 PolarHBondContact O-N 3.25Å; L434-Q437 PolarHBondContact O-N 3.1Å; Q437-E439 PolarHBondContact O-N 2.85Å; Q437-F440 WeakPolarHBondContact O-CB 3.39Å; Q437-F440 PolarHBondContact O-N 2.85Å; Q437-M441 VanDerWaalsContact O-CG 3.26Å; Q437-M441 WeakPolarHBondContact O-CG 3.34Å; Q437-M441 PolarHBondContact O-N 2.77Å
438R92.7Very high93.6Very high121 Ų12185.9 Ų85.946%0.45743%0.431SS..Hα-helixtrans-60.3-47177-179.4-178.6178.6-88.52.6111.8L140 L434 K435 F440 M441 L442L140-R438 VanDerWaalsContact CD1-NH1 3.32Å; L434-R438 VanDerWaalsContact O-CB 3.32Å; L434-R438 WeakPolarHBondContact O-CB 3.28Å; L434-R438 PolarHBondContact O-N 3.29Å; K435-R438 PolarHBondContact O-N 2.77Å; R438-F440 VanDerWaalsContact C-N 3.34Å; R438-M441 PolarHBondContact O-N 3.31Å; R438-L442 HydrophobicContact CG-CD1 3.94Å; R438-L442 HydrophobicContact CG-CG 4.41Å; R438-L442 WeakPolarHBondContact O-CB 3.43Å; R438-L442 VanDerWaalsContact O-CG 3.28Å; R438-L442 WeakPolarHBondContact O-CG 3.45Å; R438-L442 PolarHBondContact O-N 2.83Å
439E91.8Very high93.9Very high50 Ų5092.5 Ų92.523%0.23446%0.462CS..Hα-helixtrans-61.4-42.9178.1-76-179.3154.300111.6R136 K435 T436 Q437 L442 S443R136-E439 WeakPolarHBondContact CD-OE1 3.18Å; R136-E439 IonicContact CZ-OE1 3Å; R136-E439 IonicContact NE-OE1 3.78Å; R136-E439 IonicContact NH1-OE1 2.76Å; R136-E439 PolarHBondContact NH1-OE1 2.88Å; R136-E439 IonicContact NH1-OE2 3.73Å; K435-E439 WeakPolarHBondContact CE-OE1 3.29Å; K435-E439 IonicContact NZ-OE1 2.72Å; K435-E439 PolarHBondContact NZ-OE1 2.77Å; K435-E439 IonicContact NZ-OE2 2.85Å; K435-E439 PolarHBondContact NZ-OE2 3.05Å; K435-E439 WeakPolarHBondContact O-CG 3.06Å; K435-E439 PolarHBondContact O-N 3.06Å; T436-E439 PolarHBondContact O-N 3.1Å; Q437-E439 PolarHBondContact O-N 2.85Å; E439-L442 PolarHBondContact O-N 3.29Å; E439-S443 PolarHBondContact O-N 3.4Å; E439-S443 PolarHBondContact O-OG 3.38Å; E439-S443 VanDerWaalsContact O-OG 3.06Å
440F94.9Very high94.2Very high83 Ų8387.8 Ų87.836%0.36445%0.445SS..Hα-helixtrans-58.5-48.6175.4-178.4-80.3000112.2T436 Q437 R438 L442 S443 F444 F451 W455T436-F440 WeakPolarHBondContact O-CB 3.48Å; T436-F440 PolarHBondContact O-N 3.3Å; Q437-F440 WeakPolarHBondContact O-CB 3.39Å; Q437-F440 PolarHBondContact O-N 2.85Å; R438-F440 VanDerWaalsContact C-N 3.34Å; F440-L442 VanDerWaalsContact C-N 3.34Å; F440-L442 PolarHBondContact O-N 2.87Å; F440-S443 WeakPolarHBondContact CA-OG 3.42Å; F440-S443 PolarHBondContact O-N 3.02Å; F440-S443 PolarHBondContact O-OG 2.62Å; F440-F444 PolarHBondContact O-N 3.1Å; F440-F444 VanDerWaalsContact O-N 3.09Å; F440-F451 HydrophobicContact CD1-CZ 4.13Å; F440-F451 HydrophobicContact CD2-CE2 4.3Å; F440-F451 AromaticContact CD2-CZ 3.7Å; F440-F451 HydrophobicContact CD2-CZ 3.7Å; F440-F451 HydrophobicContact CE1-CE1 4.22Å; F440-F451 AromaticContact CE1-CZ 3.89Å; F440-F451 HydrophobicContact CE1-CZ 3.89Å; F440-F451 HydrophobicContact CE2-CE1 4.22Å; F440-F451 HydrophobicContact CE2-CE2 4.42Å; F440-F451 AromaticContact CE2-CZ 3.47Å; F440-F451 HydrophobicContact CE2-CZ 3.47Å; F440-F451 VanDerWaalsContact CE2-CZ 3.47Å; F440-F451 HydrophobicContact CG-CZ 4.03Å; F440-F451 AromaticContact CZ-CE1 3.9Å; F440-F451 HydrophobicContact CZ-CE1 3.9Å; F440-F451 AromaticContact CZ-CZ 3.55Å; F440-F451 HydrophobicContact CZ-CZ 3.55Å; F440-W455 AromaticContact CE2-CD1 3.87Å; F440-W455 AromaticContact CE2-NE1 3.96Å
441M95.9Very high94.3Very high121 Ų12186 Ų8660%0.59643%0.431SS*.Hα-helixtrans-66.1-37.7179.6-63.9-62.316300111.5Q437 R438 A445Q437-M441 VanDerWaalsContact O-CG 3.26Å; Q437-M441 WeakPolarHBondContact O-CG 3.34Å; Q437-M441 PolarHBondContact O-N 2.77Å; R438-M441 PolarHBondContact O-N 3.31Å; M441-A445 WeakPolarHBondContact O-CB 3.38Å; M441-A445 PolarHBondContact O-N 3.04Å
442L94.4Very high94.6Very high89 Ų8987 Ų8747%0.46644%0.437SS..Hα-helixtrans-69.6-37.8176.8-74.1175.4000112.9R438 E439 F440 A445 R446R438-L442 HydrophobicContact CG-CD1 3.94Å; R438-L442 HydrophobicContact CG-CG 4.41Å; R438-L442 WeakPolarHBondContact O-CB 3.43Å; R438-L442 VanDerWaalsContact O-CG 3.28Å; R438-L442 WeakPolarHBondContact O-CG 3.45Å; R438-L442 PolarHBondContact O-N 2.83Å; E439-L442 PolarHBondContact O-N 3.29Å; F440-L442 VanDerWaalsContact C-N 3.34Å; F440-L442 PolarHBondContact O-N 2.87Å; L442-A445 PolarHBondContact O-N 3.36Å; L442-R446 WeakPolarHBondContact O-CB 3.09Å; L442-R446 PolarHBondContact O-N 3.01Å; L442-R446 VanDerWaalsContact O-N 3.07Å
443S94.6Very high94.9Very high49 Ų4988.2 Ų88.234%0.34344%0.443SS..Hα-helixtrans-65.9-42.2175.849.40000111.5E439 F440 R446 D447 F451E439-S443 PolarHBondContact O-N 3.4Å; E439-S443 PolarHBondContact O-OG 3.38Å; E439-S443 VanDerWaalsContact O-OG 3.06Å; F440-S443 WeakPolarHBondContact CA-OG 3.42Å; F440-S443 PolarHBondContact O-N 3.02Å; F440-S443 PolarHBondContact O-OG 2.62Å; S443-R446 PolarHBondContact O-N 3.35Å; S443-D447 PolarHBondContact O-N 3.07Å; S443-F451 VanDerWaalsContact OG-CD2 3.3Å; S443-F451 WeakPolarHBondContact OG-CD2 3.47Å; S443-F451 WeakPolarHBondContact OG-CE2 3.32Å
444F95.8Very high95.1Very high93 Ų9388.3 Ų88.341%0.40845%0.447SS..Hα-helixtrans-61.8-45.8174.2-179.3-90.1000111.8F440 R446 D447 P448 F451 I452F440-F444 PolarHBondContact O-N 3.1Å; F440-F444 VanDerWaalsContact O-N 3.09Å; F444-R446 VanDerWaalsContact C-N 3.26Å; F444-R446 PolarHBondContact O-N 2.91Å; F444-D447 CarbonylContact O-C 3.46Å; F444-P448 HydrophobicContact CD2-CB 4.39Å; F444-P448 HydrophobicContact CE1-CB 4.28Å; F444-P448 HydrophobicContact CE2-CB 4.06Å; F444-P448 HydrophobicContact CZ-CB 4Å; F444-P448 VanDerWaalsContact O-CA 3.26Å; F444-P448 WeakPolarHBondContact O-CA 3.25Å; F444-P448 WeakPolarHBondContact O-CB 3.4Å; F444-P448 WeakPolarHBondContact O-CD 3.34Å; F444-P448 VanDerWaalsContact O-N 3.15Å; F444-F451 HydrophobicContact CB-CD1 3.93Å; F444-F451 HydrophobicContact CB-CE1 4.01Å; F444-F451 HydrophobicContact CB-CG 4.19Å; F444-F451 HydrophobicContact CB-CZ 4.37Å; F444-F451 AromaticContact CD2-CD1 3.5Å; F444-F451 HydrophobicContact CD2-CD1 3.5Å; F444-F451 AromaticContact CD2-CE1 3.82Å; F444-F451 HydrophobicContact CD2-CE1 3.82Å; F444-F451 HydrophobicContact CD2-CG 4.34Å; F444-F451 HydrophobicContact CE2-CD1 4.49Å; F444-F451 HydrophobicContact CG-CD1 4.21Å; F444-F451 HydrophobicContact CG-CE1 4.41Å; F444-I452 HydrophobicContact CE2-CD1 4.1Å; F444-I452 HydrophobicContact CE2-CG1 4.12Å
445A96.9Very high95.2Very high79 Ų7988.6 Ų88.665%0.65344%0.441SS*.Hα-helixtrans-67.2-25.2-17900000113.6M441 L442M441-A445 WeakPolarHBondContact O-CB 3.38Å; M441-A445 PolarHBondContact O-N 3.04Å; L442-A445 PolarHBondContact O-N 3.36Å
446R96.3Very high95.4Very high227 Ų22791.6 Ų91.686%0.85746%0.458SS*.Hα-helixtrans-79.8-45.7180-178.1-179.3-79.2-173.4-5.4112.5L442 S443 F444L442-R446 WeakPolarHBondContact O-CB 3.09Å; L442-R446 PolarHBondContact O-N 3.01Å; L442-R446 VanDerWaalsContact O-N 3.07Å; S443-R446 PolarHBondContact O-N 3.35Å; F444-R446 VanDerWaalsContact C-N 3.26Å; F444-R446 PolarHBondContact O-N 2.91Å
447D96.3Very high95.5Very high85 Ų8593.2 Ų93.246%0.45546%0.459SS..  trans-14889.5176.8176.512.5000109.7S443 F444 Q449 G450 F451S443-D447 PolarHBondContact O-N 3.07Å; F444-D447 CarbonylContact O-C 3.46Å; D447-Q449 VanDerWaalsContact C-N 3.32Å; D447-Q449 PolarHBondContact O-N 3.21Å; D447-Q449 PolarHBondContact OD1-N 2.66Å; D447-G450 PolarHBondContact OD1-N 3.36Å; D447-G450 VanDerWaalsContact OD1-N 3.1Å; D447-G450 WeakPolarHBondContact OD2-CA 3.46Å; D447-F451 WeakPolarHBondContact O-CB 3.36Å; D447-F451 PolarHBondContact O-N 3.2Å
448P96.4Very high95.6Very high63 Ų6390.4 Ų90.441%0.40945%0.453SS..Hα-helixtrans-67.7-32.4-173.624.9-33.1000112.4F444 I452F444-P448 HydrophobicContact CD2-CB 4.39Å; F444-P448 HydrophobicContact CE1-CB 4.28Å; F444-P448 HydrophobicContact CE2-CB 4.06Å; F444-P448 HydrophobicContact CZ-CB 4Å; F444-P448 VanDerWaalsContact O-CA 3.26Å; F444-P448 WeakPolarHBondContact O-CA 3.25Å; F444-P448 WeakPolarHBondContact O-CB 3.4Å; F444-P448 WeakPolarHBondContact O-CD 3.34Å; F444-P448 VanDerWaalsContact O-N 3.15Å; P448-I452 WeakPolarHBondContact O-CB 3.31Å; P448-I452 WeakPolarHBondContact O-CD1 3.22Å; P448-I452 WeakPolarHBondContact O-CG1 3.24Å; P448-I452 PolarHBondContact O-N 3.32Å
449Q96.1Very high95.7Very high148 Ų14888.9 Ų88.969%0.69245%0.451SS*.Hα-helixtrans-73.5-49.9-178.2-174.6-179.34.700111.1D447 F451 I452 N453D447-Q449 VanDerWaalsContact C-N 3.32Å; D447-Q449 PolarHBondContact O-N 3.21Å; D447-Q449 PolarHBondContact OD1-N 2.66Å; Q449-F451 VanDerWaalsContact C-N 3.3Å; Q449-F451 PolarHBondContact O-N 2.76Å; Q449-I452 PolarHBondContact O-N 2.77Å; Q449-N453 PolarHBondContact O-N 2.81Å; Q449-N453 PolarHBondContact O-ND2 3.39Å
450G96.5Very high95.8Very high19 Ų1989.5 Ų89.520%0.19646%0.46CS..Hα-helixtrans-59.3-44.517500000111.3D447 I452 N453 D454D447-G450 PolarHBondContact OD1-N 3.36Å; D447-G450 VanDerWaalsContact OD1-N 3.1Å; D447-G450 WeakPolarHBondContact OD2-CA 3.46Å; G450-I452 PolarHBondContact O-N 2.92Å; G450-N453 WeakPolarHBondContact O-CB 3.22Å; G450-N453 PolarHBondContact O-N 3.42Å; G450-D454 PolarHBondContact O-N 3.17Å
451F97.3Very high95.7Very high32 Ų3293.9 Ų93.914%0.1447%0.474CS..Hα-helixtrans-60.5-44.8178.2177.9-89000113.6F440 S443 F444 D447 Q449 N453 D454 W455F440-F451 HydrophobicContact CD1-CZ 4.13Å; F440-F451 HydrophobicContact CD2-CE2 4.3Å; F440-F451 AromaticContact CD2-CZ 3.7Å; F440-F451 HydrophobicContact CD2-CZ 3.7Å; F440-F451 HydrophobicContact CE1-CE1 4.22Å; F440-F451 AromaticContact CE1-CZ 3.89Å; F440-F451 HydrophobicContact CE1-CZ 3.89Å; F440-F451 HydrophobicContact CE2-CE1 4.22Å; F440-F451 HydrophobicContact CE2-CE2 4.42Å; F440-F451 AromaticContact CE2-CZ 3.47Å; F440-F451 HydrophobicContact CE2-CZ 3.47Å; F440-F451 VanDerWaalsContact CE2-CZ 3.47Å; F440-F451 HydrophobicContact CG-CZ 4.03Å; F440-F451 AromaticContact CZ-CE1 3.9Å; F440-F451 HydrophobicContact CZ-CE1 3.9Å; F440-F451 AromaticContact CZ-CZ 3.55Å; F440-F451 HydrophobicContact CZ-CZ 3.55Å; S443-F451 VanDerWaalsContact OG-CD2 3.3Å; S443-F451 WeakPolarHBondContact OG-CD2 3.47Å; S443-F451 WeakPolarHBondContact OG-CE2 3.32Å; F444-F451 HydrophobicContact CB-CD1 3.93Å; F444-F451 HydrophobicContact CB-CE1 4.01Å; F444-F451 HydrophobicContact CB-CG 4.19Å; F444-F451 HydrophobicContact CB-CZ 4.37Å; F444-F451 AromaticContact CD2-CD1 3.5Å; F444-F451 HydrophobicContact CD2-CD1 3.5Å; F444-F451 AromaticContact CD2-CE1 3.82Å; F444-F451 HydrophobicContact CD2-CE1 3.82Å; F444-F451 HydrophobicContact CD2-CG 4.34Å; F444-F451 HydrophobicContact CE2-CD1 4.49Å; F444-F451 HydrophobicContact CG-CD1 4.21Å; F444-F451 HydrophobicContact CG-CE1 4.41Å; D447-F451 WeakPolarHBondContact O-CB 3.36Å; D447-F451 PolarHBondContact O-N 3.2Å; Q449-F451 VanDerWaalsContact C-N 3.3Å; Q449-F451 PolarHBondContact O-N 2.76Å; F451-N453 VanDerWaalsContact C-N 3.29Å; F451-N453 PolarHBondContact O-N 3.12Å; F451-D454 PolarHBondContact O-N 2.83Å; F451-W455 HydrophobicContact CE1-CB 4.27Å; F451-W455 VanDerWaalsContact O-CB 3.24Å; F451-W455 WeakPolarHBondContact O-CB 3.26Å; F451-W455 PolarHBondContact O-N 2.91Å
452I96.9Very high95.6Very high77 Ų7791.5 Ų91.540%0.39546%0.464SS..Hα-helixtrans-61.8-40.5178.7-73165.4000110.6F444 P448 Q449 G450 W455 L456F444-I452 HydrophobicContact CE2-CD1 4.1Å; F444-I452 HydrophobicContact CE2-CG1 4.12Å; P448-I452 WeakPolarHBondContact O-CB 3.31Å; P448-I452 WeakPolarHBondContact O-CD1 3.22Å; P448-I452 WeakPolarHBondContact O-CG1 3.24Å; P448-I452 PolarHBondContact O-N 3.32Å; Q449-I452 PolarHBondContact O-N 2.77Å; G450-I452 PolarHBondContact O-N 2.92Å; I452-W455 PolarHBondContact O-N 3.4Å; I452-L456 HydrophobicContact CG2-CD1 4.15Å; I452-L456 HydrophobicContact CG2-CG 4.47Å; I452-L456 WeakPolarHBondContact O-CG 3.42Å; I452-L456 PolarHBondContact O-N 3.38Å
453N96.4Very high95.5Very high81 Ų8193.5 Ų93.543%0.43347%0.469SS..Hα-helixtrans-63-46.8176.6-70.6-30.2000111.7Q449 G450 F451 W455 L456 Q457Q449-N453 PolarHBondContact O-N 2.81Å; Q449-N453 PolarHBondContact O-ND2 3.39Å; G450-N453 WeakPolarHBondContact O-CB 3.22Å; G450-N453 PolarHBondContact O-N 3.42Å; F451-N453 VanDerWaalsContact C-N 3.29Å; F451-N453 PolarHBondContact O-N 3.12Å; N453-W455 VanDerWaalsContact C-N 3.31Å; N453-W455 PolarHBondContact O-N 3.15Å; N453-L456 PolarHBondContact O-N 3.11Å; N453-Q457 WeakPolarHBondContact O-CG 3.47Å; N453-Q457 PolarHBondContact O-N 2.98Å; N453-Q457 VanDerWaalsContact O-N 3.09Å
454D96.3Very high95.4Very high103 Ų10393.4 Ų93.455%0.55146%0.462SS*.Hα-helixtrans-63.3-39.3177-72.2-11.4000111.5G450 F451 Q457 S458G450-D454 PolarHBondContact O-N 3.17Å; F451-D454 PolarHBondContact O-N 2.83Å; D454-Q457 PolarHBondContact O-N 3.14Å; D454-S458 WeakPolarHBondContact O-CB 3.29Å; D454-S458 PolarHBondContact O-N 3.06Å
455W96.3Very high95.2Very high107 Ų10793.5 Ų93.541%0.40547%0.471SS..Hα-helixtrans-65.7-44.8178.7-175.776.6000111.9F440 F451 I452 N453 Q457 S458 Q459F440-W455 AromaticContact CE2-CD1 3.87Å; F440-W455 AromaticContact CE2-NE1 3.96Å; F451-W455 HydrophobicContact CE1-CB 4.27Å; F451-W455 VanDerWaalsContact O-CB 3.24Å; F451-W455 WeakPolarHBondContact O-CB 3.26Å; F451-W455 PolarHBondContact O-N 2.91Å; I452-W455 PolarHBondContact O-N 3.4Å; N453-W455 VanDerWaalsContact C-N 3.31Å; N453-W455 PolarHBondContact O-N 3.15Å; W455-Q457 VanDerWaalsContact C-N 3.32Å; W455-Q457 PolarHBondContact O-N 3.02Å; W455-S458 PolarHBondContact O-N 3.3Å; W455-Q459 HydrophobicContact CD2-CG 3.93Å; W455-Q459 HydrophobicContact CE3-CG 4.34Å; W455-Q459 HydrophobicContact CG-CG 4.47Å; W455-Q459 HydrophobicContact CH2-CG 4.1Å; W455-Q459 HydrophobicContact CZ2-CG 3.65Å; W455-Q459 HydrophobicContact CZ3-CG 4.42Å; W455-Q459 WeakPolarHBondContact O-CB 3.48Å; W455-Q459 WeakPolarHBondContact O-CG 3.37Å; W455-Q459 PolarHBondContact O-N 3.24Å
456L95.8Very high95.1Very high97 Ų9796.5 Ų96.551%0.50847%0.474SS..Hα-helixtrans-61.1-41.6174.8-72.5173.4000111.7I452 N453 C460I452-L456 HydrophobicContact CG2-CD1 4.15Å; I452-L456 HydrophobicContact CG2-CG 4.47Å; I452-L456 WeakPolarHBondContact O-CG 3.42Å; I452-L456 PolarHBondContact O-N 3.38Å; N453-L456 PolarHBondContact O-N 3.11Å; L456-C460 VanDerWaalsContact O-CB 3.27Å; L456-C460 WeakPolarHBondContact O-CB 3.5Å; L456-C460 PolarHBondContact O-N 2.67Å
457Q94.1Very high94.9Very high120 Ų12088.4 Ų88.456%0.56145%0.45SS*.Hα-helixtrans-63.4-44.3175.3-72176.447.300111.9N453 D454 W455 C460 R461N453-Q457 WeakPolarHBondContact O-CG 3.47Å; N453-Q457 PolarHBondContact O-N 2.98Å; N453-Q457 VanDerWaalsContact O-N 3.09Å; D454-Q457 PolarHBondContact O-N 3.14Å; W455-Q457 VanDerWaalsContact C-N 3.32Å; W455-Q457 PolarHBondContact O-N 3.02Å; Q457-C460 PolarHBondContact O-N 3.34Å; Q457-R461 WeakPolarHBondContact O-CB 3.14Å; Q457-R461 PolarHBondContact O-N 3.34Å
458S95.5Very high94.7Very high55 Ų5591.1 Ų91.139%0.38546%0.464SS..Hα-helixtrans-62-51.3177.2-166.80000111.3D454 W455 C460 R461 D462D454-S458 WeakPolarHBondContact O-CB 3.29Å; D454-S458 PolarHBondContact O-N 3.06Å; W455-S458 PolarHBondContact O-N 3.3Å; S458-C460 VanDerWaalsContact C-N 3.3Å; S458-C460 PolarHBondContact O-N 2.93Å; S458-R461 WeakPolarHBondContact O-CB 3.22Å; S458-R461 PolarHBondContact O-N 3.1Å; S458-R461 VanDerWaalsContact O-N 3.09Å; S458-D462 VanDerWaalsContact O-CG 3.29Å; S458-D462 PolarHBondContact O-N 3.17Å
459Q95.6Very high94.4Very high89 Ų8991.7 Ų91.742%0.41647%0.467SS..Hα-helixtrans-60.8-38.8179.3-71.2-60.8127.500112.2W455 D462 F463W455-Q459 HydrophobicContact CD2-CG 3.93Å; W455-Q459 HydrophobicContact CE3-CG 4.34Å; W455-Q459 HydrophobicContact CG-CG 4.47Å; W455-Q459 HydrophobicContact CH2-CG 4.1Å; W455-Q459 HydrophobicContact CZ2-CG 3.65Å; W455-Q459 HydrophobicContact CZ3-CG 4.42Å; W455-Q459 WeakPolarHBondContact O-CB 3.48Å; W455-Q459 WeakPolarHBondContact O-CG 3.37Å; W455-Q459 PolarHBondContact O-N 3.24Å; Q459-D462 PolarHBondContact O-N 2.85Å; Q459-F463 VanDerWaalsContact O-CB 3.25Å; Q459-F463 WeakPolarHBondContact O-CB 3.36Å; Q459-F463 PolarHBondContact O-N 3.49Å
460C92.7Very high94Very high63 Ų6391 Ų9143%0.42647%0.473SS..Hα-helixtrans-63.5-42.7174.8-173.80000111.5L456 Q457 S458 K464L456-C460 VanDerWaalsContact O-CB 3.27Å; L456-C460 WeakPolarHBondContact O-CB 3.5Å; L456-C460 PolarHBondContact O-N 2.67Å; Q457-C460 PolarHBondContact O-N 3.34Å; S458-C460 VanDerWaalsContact C-N 3.3Å; S458-C460 PolarHBondContact O-N 2.93Å; C460-K464 WeakPolarHBondContact O-CB 3.49Å; C460-K464 VanDerWaalsContact O-CG 3.3Å; C460-K464 WeakPolarHBondContact O-CG 3.42Å; C460-K464 PolarHBondContact O-N 2.87Å
461R92.7Very high93.3Very high174 Ų17492 Ų9266%0.65748%0.482SS*.Hα-helixtrans-64.5-44.6176.5-175.8-179-68.61720.2111.8Q457 S458 K464 T465Q457-R461 WeakPolarHBondContact O-CB 3.14Å; Q457-R461 PolarHBondContact O-N 3.34Å; S458-R461 WeakPolarHBondContact O-CB 3.22Å; S458-R461 PolarHBondContact O-N 3.1Å; S458-R461 VanDerWaalsContact O-N 3.09Å; R461-K464 PolarHBondContact O-N 2.82Å; R461-T465 WeakPolarHBondContact O-CB 3.25Å; R461-T465 PolarHBondContact O-N 2.58Å; R461-T465 PolarHBondContact O-OG1 2.84Å
462D94.5Very high92.8Very high72 Ų7293 Ų9339%0.38549%0.489SS..Hα-helixtrans-65.2-42.5179.4-66.2-22.5000110.7S458 Q459 T465 I466S458-D462 VanDerWaalsContact O-CG 3.29Å; S458-D462 PolarHBondContact O-N 3.17Å; Q459-D462 PolarHBondContact O-N 2.85Å; D462-T465 WeakPolarHBondContact O-CB 3.47Å; D462-T465 PolarHBondContact O-N 2.77Å; D462-I466 VanDerWaalsContact O-CG1 3.31Å; D462-I466 WeakPolarHBondContact O-CG1 3.42Å; D462-I466 PolarHBondContact O-N 3.47Å
463F92.3Very high92.4Very high131 Ų13192.9 Ų92.958%0.57549%0.493SS*.Hα-helixtrans-60.5-47.5174.9-178-98.8000112.1Q459 T465 I466 T467Q459-F463 VanDerWaalsContact O-CB 3.25Å; Q459-F463 WeakPolarHBondContact O-CB 3.36Å; Q459-F463 PolarHBondContact O-N 3.49Å; F463-T465 VanDerWaalsContact C-N 3.25Å; F463-T465 PolarHBondContact O-N 3.45Å; F463-I466 PolarHBondContact O-N 2.79Å; F463-T467 HydrophobicContact CD1-CG2 4.49Å; F463-T467 HydrophobicContact CD2-CG2 4.29Å; F463-T467 HydrophobicContact CE1-CG2 4.1Å; F463-T467 HydrophobicContact CE2-CG2 3.88Å; F463-T467 HydrophobicContact CZ-CG2 3.78Å; F463-T467 WeakPolarHBondContact O-CB 3.5Å; F463-T467 WeakPolarHBondContact O-CG2 3.26Å; F463-T467 PolarHBondContact O-N 3.01Å; F463-T467 PolarHBondContact O-OG1 2.66Å
464K91.9Very high92Very high47 Ų4793.8 Ų93.820%0.20450%0.495CS..Hα-helixtrans-57.7-40.1174.8-76.2179.6-175.9-168.50112C460 R461 T467 D468 V469 G471C460-K464 WeakPolarHBondContact O-CB 3.49Å; C460-K464 VanDerWaalsContact O-CG 3.3Å; C460-K464 WeakPolarHBondContact O-CG 3.42Å; C460-K464 PolarHBondContact O-N 2.87Å; R461-K464 PolarHBondContact O-N 2.82Å; K464-T467 PolarHBondContact O-N 2.87Å; K464-D468 CarbonylContact O-C 3.54Å; K464-D468 WeakPolarHBondContact O-CA 3.48Å; K464-D468 PolarHBondContact O-N 2.92Å; K464-V469 WeakPolarHBondContact CB-O 3.21Å; K464-V469 HydrophobicContact CG-CB 4.33Å; K464-V469 HydrophobicContact CG-CG1 4.33Å; K464-V469 PolarHBondContact O-N 2.85Å; K464-G471 PolarHBondContact NZ-O 2.93Å
465T93.4Very high91.6Very high95 Ų9594 Ų9458%0.58349%0.492SS*.Hα-helixtrans-67.1-41.1178.3-53.50000111.9R461 D462 F463 T467R461-T465 WeakPolarHBondContact O-CB 3.25Å; R461-T465 PolarHBondContact O-N 2.58Å; R461-T465 PolarHBondContact O-OG1 2.84Å; D462-T465 WeakPolarHBondContact O-CB 3.47Å; D462-T465 PolarHBondContact O-N 2.77Å; F463-T465 VanDerWaalsContact C-N 3.25Å; F463-T465 PolarHBondContact O-N 3.45Å; T465-T467 VanDerWaalsContact C-N 3.33Å
466I93.8Very high91.3Very high141 Ų14192.3 Ų92.372%0.72349%0.489SS*.Hα-helixtrans-72.9-28.8-179.7-67.5165000111.8D462 F463D462-I466 VanDerWaalsContact O-CG1 3.31Å; D462-I466 WeakPolarHBondContact O-CG1 3.42Å; D462-I466 PolarHBondContact O-N 3.47Å; F463-I466 PolarHBondContact O-N 2.79Å
467T93.2Very high91.2Very high58 Ų5896.8 Ų96.836%0.35650%0.499SS..THydrogen-bonded Turntrans-99.82.5-176.755.20000113.6F463 K464 T465 V469F463-T467 HydrophobicContact CD1-CG2 4.49Å; F463-T467 HydrophobicContact CD2-CG2 4.29Å; F463-T467 HydrophobicContact CE1-CG2 4.1Å; F463-T467 HydrophobicContact CE2-CG2 3.88Å; F463-T467 HydrophobicContact CZ-CG2 3.78Å; F463-T467 WeakPolarHBondContact O-CB 3.5Å; F463-T467 WeakPolarHBondContact O-CG2 3.26Å; F463-T467 PolarHBondContact O-N 3.01Å; F463-T467 PolarHBondContact O-OG1 2.66Å; K464-T467 PolarHBondContact O-N 2.87Å; T465-T467 VanDerWaalsContact C-N 3.33Å; T467-V469 PolarHBondContact O-N 2.9Å; T467-V469 VanDerWaalsContact OG1-CG2 3.24Å; T467-V469 WeakPolarHBondContact OG1-CG2 3.39Å
468D90.8Very high91.1Very high141 Ų14198.6 Ų98.675%0.75450%0.501SS*.THydrogen-bonded Turntrans5125.1-171.8-63.7-42.9000113.6K464 V470K464-D468 CarbonylContact O-C 3.54Å; K464-D468 WeakPolarHBondContact O-CA 3.48Å; K464-D468 PolarHBondContact O-N 2.92Å; D468-V470 PolarHBondContact O-N 2.65Å
469V91.1Very high91Very high76 Ų7698.5 Ų98.546%0.46150%0.504SS..  trans-75.2113.2177172.80000108.4K464 T467K464-V469 WeakPolarHBondContact CB-O 3.21Å; K464-V469 HydrophobicContact CG-CB 4.33Å; K464-V469 HydrophobicContact CG-CG1 4.33Å; K464-V469 PolarHBondContact O-N 2.85Å; T467-V469 PolarHBondContact O-N 2.9Å; T467-V469 VanDerWaalsContact OG1-CG2 3.24Å; T467-V469 WeakPolarHBondContact OG1-CG2 3.39Å
470V87.9Confident91Very high134 Ų134100.5 Ų100.581%0.81251%0.513SS*.  trans-94.2153.5177-64.80000111.4D468D468-V470 PolarHBondContact O-N 2.65Å
471G81.8Confident91Very high38 Ų38100.1 Ų100.139%0.39250%0.504SS..SBendtrans86.1171.9175.700000114.5K464 E476K464-G471 PolarHBondContact NZ-O 2.93Å; G471-E476 WeakPolarHBondContact CA-OE1 3.12Å
472N86.7Confident91Very high53 Ų5398 Ų9828%0.28350%0.497SS..  trans-132.796.3174.8-171.55.8000108.1E474 E475 E476N472-E474 PolarHBondContact O-N 3.02Å; N472-E475 HydrophobicContact CB-CB 4.16Å; N472-E475 HydrophobicContact CB-CG 4.33Å; N472-E475 PolarHBondContact ND2-OE1 2.97Å; N472-E475 PolarHBondContact O-N 2.65Å; N472-E476 PolarHBondContact N-OE1 2.83Å; N472-E476 VanDerWaalsContact N-OE1 3.11Å; N472-E476 PolarHBondContact O-N 3.32Å
473P87.6Confident91Very high76 Ų76103.6 Ų103.649%0.49451%0.514SS..Hα-helixtrans-55.6-28.8-174.7-27.134.3000113.7R477P473-R477 WeakPolarHBondContact O-CD 3.43Å; P473-R477 WeakPolarHBondContact O-CG 3.39Å; P473-R477 PolarHBondContact O-N 2.9Å; P473-R477 VanDerWaalsContact O-N 3.16Å
474E87.3Confident91.1Very high99 Ų99101.9 Ų101.946%0.46351%0.508SS..Hα-helixtrans-74.8-29.6178.1-72.7-59.2126.700113.3N472 R477N472-E474 PolarHBondContact O-N 3.02Å; E474-R477 IonicContact OE1-CZ 3.66Å; E474-R477 IonicContact OE1-NH1 2.83Å; E474-R477 PolarHBondContact OE1-NH1 2.8Å
475E87.8Confident91.2Very high107 Ų107105.4 Ų105.450%0.554%0.536SS..Hα-helixtrans-77.5-42.6170.4-77.1170.9-149.300110.7N472 R477 R478 F481N472-E475 HydrophobicContact CB-CB 4.16Å; N472-E475 HydrophobicContact CB-CG 4.33Å; N472-E475 PolarHBondContact ND2-OE1 2.97Å; N472-E475 PolarHBondContact O-N 2.65Å; E475-R477 PolarHBondContact O-N 3.03Å; E475-R477 VanDerWaalsContact O-N 3.11Å; E475-R478 WeakPolarHBondContact O-CB 3.21Å; E475-R478 PolarHBondContact O-N 2.84Å; E475-F481 HydrophobicContact CB-CD2 4.12Å; E475-F481 WeakPolarHBondContact O-CB 3.06Å
476E91.4Very high91.3Very high73 Ų73106.2 Ų106.234%0.34153%0.528SS..Hα-helixtrans-62-20.5179.4-69.1166.3-148.900113.5G471 N472 F481 Y482G471-E476 WeakPolarHBondContact CA-OE1 3.12Å; N472-E476 PolarHBondContact N-OE1 2.83Å; N472-E476 VanDerWaalsContact N-OE1 3.11Å; N472-E476 PolarHBondContact O-N 3.32Å; E476-F481 HydrophobicContact CB-CD1 4.47Å; E476-F481 HydrophobicContact CB-CE1 4.41Å; E476-F481 HydrophobicContact CG-CD1 4.22Å; E476-F481 HydrophobicContact CG-CE1 3.73Å; E476-F481 HydrophobicContact CG-CE2 4.18Å; E476-F481 HydrophobicContact CG-CZ 3.71Å; E476-Y482 WeakPolarHBondContact O-CE2 3.19Å; E476-Y482 PolarHBondContact O-OH 3.02Å
477R92.7Very high91.4Very high191 Ų191100.5 Ų100.572%0.72150%0.502SS*.THydrogen-bonded Turntrans-75.8-22.2172.5-82.2171171.8-175.2-6.4113.8P473 E474 E475P473-R477 WeakPolarHBondContact O-CD 3.43Å; P473-R477 WeakPolarHBondContact O-CG 3.39Å; P473-R477 PolarHBondContact O-N 2.9Å; P473-R477 VanDerWaalsContact O-N 3.16Å; E474-R477 IonicContact OE1-CZ 3.66Å; E474-R477 IonicContact OE1-NH1 2.83Å; E474-R477 PolarHBondContact OE1-NH1 2.8Å; E475-R477 PolarHBondContact O-N 3.03Å; E475-R477 VanDerWaalsContact O-N 3.11Å
478R92.9Very high91.4Very high157 Ų157105.5 Ų105.559%0.59252%0.521SS*.SBendtrans-90.7140.3-174.2-67.2-176-171.6-169.41.3110.8E475 E480 F481E475-R478 WeakPolarHBondContact O-CB 3.21Å; E475-R478 PolarHBondContact O-N 2.84Å; R478-E480 WeakPolarHBondContact CB-OE2 3.42Å; R478-E480 PolarHBondContact O-N 3.4Å; R478-F481 WeakPolarHBondContact O-CB 3.4Å; R478-F481 PolarHBondContact O-N 3.14Å
479A93.4Very high91.6Very high54 Ų54103.7 Ų103.745%0.44651%0.508SS..G310 helixtrans-62.3-32.4-178.800000111.9F481 Y482 Y483A479-F481 PolarHBondContact O-N 2.8Å; A479-F481 VanDerWaalsContact O-N 3.14Å; A479-Y482 PolarHBondContact O-N 2.54Å; A479-Y483 HydrophobicContact CB-CE2 4.24Å; A479-Y483 WeakPolarHBondContact O-CD2 3.41Å; A479-Y483 WeakPolarHBondContact O-CE2 3.42Å
480E94.2Very high91.8Very high130 Ų130101.9 Ų101.961%0.60750%0.502SS*.G310 helixtrans-52.5-32.6176.2-67.376.6-167.900113.1R478 Y482 Y483R478-E480 WeakPolarHBondContact CB-OE2 3.42Å; R478-E480 PolarHBondContact O-N 3.4Å; E480-Y482 PolarHBondContact O-N 3.39Å; E480-Y483 PolarHBondContact O-N 2.85Å
481F92.8Very high92.2Very high56 Ų56100.1 Ų100.125%0.24649%0.491CS..G310 helixtrans-64.4-29.5178.7-177.4-99.8000112.9E475 E476 R478 A479 Q484 W486E475-F481 HydrophobicContact CB-CD2 4.12Å; E475-F481 WeakPolarHBondContact O-CB 3.06Å; E476-F481 HydrophobicContact CB-CD1 4.47Å; E476-F481 HydrophobicContact CB-CE1 4.41Å; E476-F481 HydrophobicContact CG-CD1 4.22Å; E476-F481 HydrophobicContact CG-CE1 3.73Å; E476-F481 HydrophobicContact CG-CE2 4.18Å; E476-F481 HydrophobicContact CG-CZ 3.71Å; R478-F481 WeakPolarHBondContact O-CB 3.4Å; R478-F481 PolarHBondContact O-N 3.14Å; A479-F481 PolarHBondContact O-N 2.8Å; A479-F481 VanDerWaalsContact O-N 3.14Å; F481-Q484 VanDerWaalsContact O-CG 3.24Å; F481-Q484 WeakPolarHBondContact O-CG 3.38Å; F481-W486 HydrophobicContact CD1-CH2 4.07Å; F481-W486 AromaticContact CD1-CZ2 3.99Å; F481-W486 HydrophobicContact CD1-CZ2 3.99Å; F481-W486 AromaticContact CE1-CH2 3.6Å; F481-W486 HydrophobicContact CE1-CH2 3.6Å; F481-W486 AromaticContact CE1-CZ2 3.55Å; F481-W486 HydrophobicContact CE1-CZ2 3.55Å; F481-W486 HydrophobicContact CE2-CZ2 4.37Å; F481-W486 HydrophobicContact CZ-CH2 4.21Å; F481-W486 AromaticContact CZ-CZ2 3.77Å; F481-W486 HydrophobicContact CZ-CZ2 3.77Å; F481-W486 WeakPolarHBondContact O-CZ2 3.14Å
482Y93.9Very high92.8Very high128 Ų128102 Ų10250%0.50250%0.497SS..G310 helixtrans-92.7-0.6-177-58.6-83.4000113.8E476 A479 E480 Q484 W486 A487E476-Y482 WeakPolarHBondContact O-CE2 3.19Å; E476-Y482 PolarHBondContact O-OH 3.02Å; A479-Y482 PolarHBondContact O-N 2.54Å; E480-Y482 PolarHBondContact O-N 3.39Å; Y482-Q484 VanDerWaalsContact C-N 3.26Å; Y482-Q484 PolarHBondContact O-N 2.85Å; Y482-W486 HydrophobicContact CD1-CH2 4.34Å; Y482-A487 WeakPolarHBondContact O-CB 3.11Å
483Y94.1Very high93.2Very high191 Ų191107.4 Ų107.475%0.74951%0.513SS*.G310 helixtrans-9016.1172.4-66.1-71.7000113.3A479 E480A479-Y483 HydrophobicContact CB-CE2 4.24Å; A479-Y483 WeakPolarHBondContact O-CD2 3.41Å; A479-Y483 WeakPolarHBondContact O-CE2 3.42Å; E480-Y483 PolarHBondContact O-N 2.85Å
484Q94.2Very high93.6Very high94 Ų94110.6 Ų110.644%0.43952%0.517SS..SBendtrans-81.3154.8-179.8-63.8-60.7-45.800112F481 Y482 W486 A487F481-Q484 VanDerWaalsContact O-CG 3.24Å; F481-Q484 WeakPolarHBondContact O-CG 3.38Å; Y482-Q484 VanDerWaalsContact C-N 3.26Å; Y482-Q484 PolarHBondContact O-N 2.85Å; Q484-W486 VanDerWaalsContact CB-CD1 3.5Å; Q484-W486 HydrophobicContact CB-CD2 4.3Å; Q484-W486 HydrophobicContact CB-CG 4.18Å; Q484-W486 HydrophobicContact CB-CZ2 4.29Å; Q484-W486 PolarHBondContact O-N 2.82Å; Q484-A487 VanDerWaalsContact O-CB 3.22Å; Q484-A487 WeakPolarHBondContact O-CB 3.17Å; Q484-A487 PolarHBondContact O-N 2.77Å
485P95.3Very high94.1Very high121 Ų121112.6 Ų112.679%0.78652%0.524SS*.THydrogen-bonded Turntrans-56.2-27.8-177.8-27.235.2000114.6A487P485-A487 VanDerWaalsContact C-N 3.26Å; P485-A487 PolarHBondContact O-N 2.9Å
486W95.3Very high94.4Very high113 Ų113115 Ų11543%0.42853%0.529SS..Hα-helixtrans-73.1-14.7178.859.8-104.2000113.5F481 Y482 Q484 Q488 E489 A490F481-W486 HydrophobicContact CD1-CH2 4.07Å; F481-W486 AromaticContact CD1-CZ2 3.99Å; F481-W486 HydrophobicContact CD1-CZ2 3.99Å; F481-W486 AromaticContact CE1-CH2 3.6Å; F481-W486 HydrophobicContact CE1-CH2 3.6Å; F481-W486 AromaticContact CE1-CZ2 3.55Å; F481-W486 HydrophobicContact CE1-CZ2 3.55Å; F481-W486 HydrophobicContact CE2-CZ2 4.37Å; F481-W486 HydrophobicContact CZ-CH2 4.21Å; F481-W486 AromaticContact CZ-CZ2 3.77Å; F481-W486 HydrophobicContact CZ-CZ2 3.77Å; F481-W486 WeakPolarHBondContact O-CZ2 3.14Å; Y482-W486 HydrophobicContact CD1-CH2 4.34Å; Q484-W486 VanDerWaalsContact CB-CD1 3.5Å; Q484-W486 HydrophobicContact CB-CD2 4.3Å; Q484-W486 HydrophobicContact CB-CG 4.18Å; Q484-W486 HydrophobicContact CB-CZ2 4.29Å; Q484-W486 PolarHBondContact O-N 2.82Å; W486-Q488 PolarHBondContact O-N 3.06Å; W486-E489 PolarHBondContact O-N 2.83Å; W486-A490 HydrophobicContact CE3-CB 3.75Å; W486-A490 HydrophobicContact CZ3-CB 4.06Å; W486-A490 VanDerWaalsContact O-CB 3.24Å; W486-A490 WeakPolarHBondContact O-CB 3.39Å; W486-A490 PolarHBondContact O-N 2.79Å
487A95.1Very high94.6Very high21 Ų21114.4 Ų114.417%0.17453%0.534CS..Hα-helixtrans-63.2-44-171.900000112.9Y482 Q484 P485 A490 V491Y482-A487 WeakPolarHBondContact O-CB 3.11Å; Q484-A487 VanDerWaalsContact O-CB 3.22Å; Q484-A487 WeakPolarHBondContact O-CB 3.17Å; Q484-A487 PolarHBondContact O-N 2.77Å; P485-A487 VanDerWaalsContact C-N 3.26Å; P485-A487 PolarHBondContact O-N 2.9Å; A487-A490 PolarHBondContact O-N 2.89Å; A487-V491 WeakPolarHBondContact O-CG2 3.4Å; A487-V491 PolarHBondContact O-N 2.86Å
488Q93.8Very high94.7Very high162 Ų162109 Ų10976%0.75752%0.515SS*.Hα-helixtrans-62.6-47.7179.2-175.8178.32.500111.4W486 A490 V491 C492W486-Q488 PolarHBondContact O-N 3.06Å; Q488-A490 VanDerWaalsContact C-N 3.35Å; Q488-A490 PolarHBondContact O-N 3.32Å; Q488-V491 PolarHBondContact O-N 3.21Å; Q488-C492 PolarHBondContact O-N 3.02Å; Q488-C492 VanDerWaalsContact O-N 3.11Å; Q488-C492 PolarHBondContact O-SG 2.84Å; Q488-C492 VanDerWaalsContact O-SG 3.33Å
489E95Very high94.8Very high104 Ų104104.6 Ų104.649%0.48651%0.506SS..Hα-helixtrans-64.5-40.4177.8-170.3-174.716700111.5W486 V491 C492 R493W486-E489 PolarHBondContact O-N 2.83Å; E489-V491 VanDerWaalsContact C-N 3.35Å; E489-V491 PolarHBondContact O-N 3.18Å; E489-C492 WeakPolarHBondContact O-CB 3.47Å; E489-C492 PolarHBondContact O-N 2.85Å; E489-R493 WeakPolarHBondContact O-CG 3.39Å; E489-R493 PolarHBondContact O-N 3.45Å; E489-R493 IonicContact OE1-CZ 3.96Å; E489-R493 IonicContact OE1-NE 2.83Å; E489-R493 PolarHBondContact OE1-NE 3.45Å; E489-R493 IonicContact OE1-NH2 3.75Å; E489-R493 PolarHBondContact OE1-NH2 3.09Å
490A94.9Very high94.7Very high38 Ų38105.4 Ų105.431%0.31450%0.5SS..Hα-helixtrans-60.7-42.4177.500000112W486 A487 Q488 R493 Y494W486-A490 HydrophobicContact CE3-CB 3.75Å; W486-A490 HydrophobicContact CZ3-CB 4.06Å; W486-A490 VanDerWaalsContact O-CB 3.24Å; W486-A490 WeakPolarHBondContact O-CB 3.39Å; W486-A490 PolarHBondContact O-N 2.79Å; A487-A490 PolarHBondContact O-N 2.89Å; Q488-A490 VanDerWaalsContact C-N 3.35Å; Q488-A490 PolarHBondContact O-N 3.32Å; A490-R493 PolarHBondContact O-N 3.08Å; A490-Y494 VanDerWaalsContact O-CB 3.27Å; A490-Y494 WeakPolarHBondContact O-CB 3.11Å; A490-Y494 PolarHBondContact O-N 2.87Å
491V96Very high94.7Very high96 Ų96103 Ų10358%0.58249%0.489SS*.Hα-helixtrans-63.5-42174.3174.10000111.1A487 Q488 E489 Y494 F495A487-V491 WeakPolarHBondContact O-CG2 3.4Å; A487-V491 PolarHBondContact O-N 2.86Å; Q488-V491 PolarHBondContact O-N 3.21Å; E489-V491 VanDerWaalsContact C-N 3.35Å; E489-V491 PolarHBondContact O-N 3.18Å; V491-Y494 PolarHBondContact O-N 3.05Å; V491-F495 WeakPolarHBondContact O-CB 3.18Å; V491-F495 PolarHBondContact O-N 3.1Å
492C95.2Very high94.7Very high78 Ų78107.8 Ų107.853%0.52751%0.505SS..Hα-helixtrans-61.1-46.2176.1-67.50000112.2Q488 E489 F495 Y496Q488-C492 PolarHBondContact O-N 3.02Å; Q488-C492 VanDerWaalsContact O-N 3.11Å; Q488-C492 PolarHBondContact O-SG 2.84Å; Q488-C492 VanDerWaalsContact O-SG 3.33Å; E489-C492 WeakPolarHBondContact O-CB 3.47Å; E489-C492 PolarHBondContact O-N 2.85Å; C492-F495 PolarHBondContact O-N 3.07Å; C492-Y496 WeakPolarHBondContact O-CB 3.37Å; C492-Y496 PolarHBondContact O-N 2.81Å
493R95.4Very high94.5Very high167 Ų167107.8 Ų107.863%0.6351%0.505SS*.Hα-helixtrans-63.3-42.1176.8-70.4-179.2-179.3-152.42.9111.7E489 A490 S497E489-R493 WeakPolarHBondContact O-CG 3.39Å; E489-R493 PolarHBondContact O-N 3.45Å; E489-R493 IonicContact OE1-CZ 3.96Å; E489-R493 IonicContact OE1-NE 2.83Å; E489-R493 PolarHBondContact OE1-NE 3.45Å; E489-R493 IonicContact OE1-NH2 3.75Å; E489-R493 PolarHBondContact OE1-NH2 3.09Å; A490-R493 PolarHBondContact O-N 3.08Å; R493-S497 PolarHBondContact O-N 2.89Å; R493-S497 PolarHBondContact O-OG 2.76Å
494Y95.9Very high94.2Very high143 Ų143104.1 Ų104.156%0.56150%0.495SS*.Hα-helixtrans-62.5-44.4175.1175.2-98.6000111.9A490 V491 S497 K498A490-Y494 VanDerWaalsContact O-CB 3.27Å; A490-Y494 WeakPolarHBondContact O-CB 3.11Å; A490-Y494 PolarHBondContact O-N 2.87Å; V491-Y494 PolarHBondContact O-N 3.05Å; Y494-S497 PolarHBondContact O-N 2.79Å; Y494-S497 PolarHBondContact O-OG 2.7Å; Y494-K498 HydrophobicContact CD1-CG 4.29Å; Y494-K498 HydrophobicContact CD2-CG 4.33Å; Y494-K498 HydrophobicContact CE1-CG 3.84Å; Y494-K498 HydrophobicContact CE2-CD 4.42Å; Y494-K498 HydrophobicContact CE2-CG 3.88Å; Y494-K498 WeakPolarHBondContact O-CB 3.15Å; Y494-K498 WeakPolarHBondContact O-CG 3.46Å; Y494-K498 PolarHBondContact O-N 3.11Å; Y494-K498 VanDerWaalsContact OH-CE 3.29Å; Y494-K498 WeakPolarHBondContact OH-CE 3.37Å
495F96.3Very high94Very high140 Ų140103.2 Ų103.261%0.61449%0.49SS*.Hα-helixtrans-65-44.3179.2-167.5-98.2000111.2V491 C492 S497 K498 V499V491-F495 WeakPolarHBondContact O-CB 3.18Å; V491-F495 PolarHBondContact O-N 3.1Å; C492-F495 PolarHBondContact O-N 3.07Å; F495-S497 PolarHBondContact O-N 2.79Å; F495-K498 PolarHBondContact O-N 3.22Å; F495-V499 HydrophobicContact CD1-CG2 3.93Å; F495-V499 HydrophobicContact CE1-CG2 3.63Å; F495-V499 HydrophobicContact CZ-CG2 4.02Å; F495-V499 VanDerWaalsContact O-CG2 3.31Å; F495-V499 WeakPolarHBondContact O-CG2 3.49Å; F495-V499 PolarHBondContact O-N 2.86Å
496Y95.1Very high93.6Very high157 Ų157102.5 Ų102.562%0.61648%0.479SS*.Hα-helixtrans-57.7-49.8175.3179.8-96.5000111.8C492 K498 V499 Q500C492-Y496 WeakPolarHBondContact O-CB 3.37Å; C492-Y496 PolarHBondContact O-N 2.81Å; Y496-K498 VanDerWaalsContact C-N 3.34Å; Y496-K498 PolarHBondContact O-N 2.91Å; Y496-V499 PolarHBondContact O-N 2.83Å; Y496-Q500 HydrophobicContact CD1-CG 4.46Å; Y496-Q500 HydrophobicContact CE1-CG 4.07Å; Y496-Q500 WeakPolarHBondContact O-CG 3.47Å; Y496-Q500 PolarHBondContact O-N 3.45Å; Y496-Q500 VanDerWaalsContact O-N 3.07Å
497S94.9Very high93.1Very high62 Ų6299.5 Ų99.543%0.43447%0.47SS..Hα-helixtrans-64.2-38.9179.467.90000112.2R493 Y494 F495 Q500 Q501R493-S497 PolarHBondContact O-N 2.89Å; R493-S497 PolarHBondContact O-OG 2.76Å; Y494-S497 PolarHBondContact O-N 2.79Å; Y494-S497 PolarHBondContact O-OG 2.7Å; F495-S497 PolarHBondContact O-N 2.79Å; S497-Q500 PolarHBondContact O-N 2.81Å; S497-Q501 WeakPolarHBondContact O-CB 3.33Å; S497-Q501 PolarHBondContact O-N 3.22Å
498K95.8Very high92.5Very high76 Ų76105.4 Ų105.433%0.3349%0.494SS..Hα-helixtrans-65.1-40.9175.6-80.6-71.4171.2-164.50113.1Y494 F495 Y496 Q501 R502Y494-K498 HydrophobicContact CD1-CG 4.29Å; Y494-K498 HydrophobicContact CD2-CG 4.33Å; Y494-K498 HydrophobicContact CE1-CG 3.84Å; Y494-K498 HydrophobicContact CE2-CD 4.42Å; Y494-K498 HydrophobicContact CE2-CG 3.88Å; Y494-K498 WeakPolarHBondContact O-CB 3.15Å; Y494-K498 WeakPolarHBondContact O-CG 3.46Å; Y494-K498 PolarHBondContact O-N 3.11Å; Y494-K498 VanDerWaalsContact OH-CE 3.29Å; Y494-K498 WeakPolarHBondContact OH-CE 3.37Å; F495-K498 PolarHBondContact O-N 3.22Å; Y496-K498 VanDerWaalsContact C-N 3.34Å; Y496-K498 PolarHBondContact O-N 2.91Å; K498-Q501 PolarHBondContact O-N 3.05Å; K498-R502 WeakPolarHBondContact O-CG 3.5Å; K498-R502 PolarHBondContact O-N 3.17Å
499V94.5Very high91.9Very high65 Ų65101.8 Ų101.839%0.39449%0.492SS..Hα-helixtrans-62.7-44.2175.3169.30000110.6F495 Y496 Q501 R502 R503F495-V499 HydrophobicContact CD1-CG2 3.93Å; F495-V499 HydrophobicContact CE1-CG2 3.63Å; F495-V499 HydrophobicContact CZ-CG2 4.02Å; F495-V499 VanDerWaalsContact O-CG2 3.31Å; F495-V499 WeakPolarHBondContact O-CG2 3.49Å; F495-V499 PolarHBondContact O-N 2.86Å; Y496-V499 PolarHBondContact O-N 2.83Å; V499-Q501 PolarHBondContact O-N 2.8Å; V499-R502 PolarHBondContact O-N 3.15Å; V499-R503 WeakPolarHBondContact O-CB 3.38Å; V499-R503 PolarHBondContact O-N 2.82Å
500Q91.8Very high91.2Very high71 Ų71102.7 Ų102.733%0.33250%0.499SS..Hα-helixtrans-63.4-41175.8-63-53-32.600112.1Y496 S497 R503 Q504Y496-Q500 HydrophobicContact CD1-CG 4.46Å; Y496-Q500 HydrophobicContact CE1-CG 4.07Å; Y496-Q500 WeakPolarHBondContact O-CG 3.47Å; Y496-Q500 PolarHBondContact O-N 3.45Å; Y496-Q500 VanDerWaalsContact O-N 3.07Å; S497-Q500 PolarHBondContact O-N 2.81Å; Q500-R503 PolarHBondContact O-N 3.11Å; Q500-Q504 WeakPolarHBondContact O-CB 3.44Å; Q500-Q504 PolarHBondContact O-N 2.84Å
501Q93.4Very high90Very high79 Ų79103.8 Ų103.837%0.36951%0.514SS..Hα-helixtrans-59.3-49.4174.8-175.8-179.416.500111.3S497 K498 V499 R503 Q504 E505S497-Q501 WeakPolarHBondContact O-CB 3.33Å; S497-Q501 PolarHBondContact O-N 3.22Å; K498-Q501 PolarHBondContact O-N 3.05Å; V499-Q501 PolarHBondContact O-N 2.8Å; Q501-R503 VanDerWaalsContact C-N 3.33Å; Q501-R503 PolarHBondContact O-N 3.44Å; Q501-Q504 PolarHBondContact O-N 2.79Å; Q501-E505 WeakPolarHBondContact CG-OE1 3.38Å; Q501-E505 PolarHBondContact NE2-OE1 2.76Å; Q501-E505 WeakPolarHBondContact O-CG 3.4Å; Q501-E505 PolarHBondContact O-N 2.9Å
502R92.1Very high88.5Confident157 Ų157103.7 Ų103.759%0.59251%0.509SS*.Hα-helixtrans-63.1-38.8178.3-71.9-55.4-164.9-177.64.4112.7K498 V499 E505 L506K498-R502 WeakPolarHBondContact O-CG 3.5Å; K498-R502 PolarHBondContact O-N 3.17Å; V499-R502 PolarHBondContact O-N 3.15Å; R502-E505 VanDerWaalsContact CD-OE2 3.26Å; R502-E505 WeakPolarHBondContact CD-OE2 3.23Å; R502-E505 IonicContact CZ-OE2 2.71Å; R502-E505 IonicContact NE-OE2 2.83Å; R502-E505 IonicContact NH1-OE2 3.22Å; R502-E505 PolarHBondContact NH1-OE2 2.95Å; R502-E505 PolarHBondContact O-N 3.11Å; R502-L506 WeakPolarHBondContact O-CB 3.46Å; R502-L506 WeakPolarHBondContact O-CG 3.4Å; R502-L506 PolarHBondContact O-N 3.41Å
503R89.7Confident86.7Confident128 Ų128111.2 Ų111.248%0.48353%0.527SS..Hα-helixtrans-62.1-45.6173.7-178.9-177.6169179.4-2111V499 Q500 Q501 L506 E507V499-R503 WeakPolarHBondContact O-CB 3.38Å; V499-R503 PolarHBondContact O-N 2.82Å; Q500-R503 PolarHBondContact O-N 3.11Å; Q501-R503 VanDerWaalsContact C-N 3.33Å; Q501-R503 PolarHBondContact O-N 3.44Å; R503-L506 PolarHBondContact O-N 3.42Å; R503-E507 HydrophobicContact CG-CG 4.38Å; R503-E507 IonicContact CZ-OE1 2.79Å; R503-E507 IonicContact NE-OE1 2.73Å; R503-E507 PolarHBondContact NE-OE1 3.37Å; R503-E507 IonicContact NH2-OE1 3.51Å; R503-E507 PolarHBondContact NH2-OE1 2.97Å; R503-E507 WeakPolarHBondContact O-CB 3.31Å; R503-E507 WeakPolarHBondContact O-CG 3.31Å; R503-E507 PolarHBondContact O-N 2.74Å
504Q88.1Confident84.9Confident115 Ų115108.9 Ų108.954%0.53753%0.527SS..Hα-helixtrans-63.7-41177.8-171178.824.500112Q500 Q501 L506 E507 Q508Q500-Q504 WeakPolarHBondContact O-CB 3.44Å; Q500-Q504 PolarHBondContact O-N 2.84Å; Q501-Q504 PolarHBondContact O-N 2.79Å; Q504-L506 VanDerWaalsContact C-N 3.34Å; Q504-E507 PolarHBondContact O-N 2.89Å; Q504-Q508 WeakPolarHBondContact O-CB 3.4Å; Q504-Q508 WeakPolarHBondContact O-CG 3.23Å; Q504-Q508 PolarHBondContact O-N 3.09Å
505E90.4Very high82.4Confident74 Ų74112.1 Ų112.135%0.34656%0.562SS.*Hα-helixtrans-59.9-43.2173.2-73.1168.7-169.300111.5Q501 R502 A509Q501-E505 WeakPolarHBondContact CG-OE1 3.38Å; Q501-E505 PolarHBondContact NE2-OE1 2.76Å; Q501-E505 WeakPolarHBondContact O-CG 3.4Å; Q501-E505 PolarHBondContact O-N 2.9Å; R502-E505 VanDerWaalsContact CD-OE2 3.26Å; R502-E505 WeakPolarHBondContact CD-OE2 3.23Å; R502-E505 IonicContact CZ-OE2 2.71Å; R502-E505 IonicContact NE-OE2 2.83Å; R502-E505 IonicContact NH1-OE2 3.22Å; R502-E505 PolarHBondContact NH1-OE2 2.95Å; R502-E505 PolarHBondContact O-N 3.11Å; E505-A509 VanDerWaalsContact O-CB 3.3Å; E505-A509 WeakPolarHBondContact O-CB 3.22Å; E505-A509 PolarHBondContact O-N 2.99Å
506L86.5Confident81.7Confident107 Ų107110.7 Ų110.756%0.5656%0.559SS**Hα-helixtrans-67.3-44.7176.4-79.7162.2000112.5R502 R503 Q504 Q508 A509 L510R502-L506 WeakPolarHBondContact O-CB 3.46Å; R502-L506 WeakPolarHBondContact O-CG 3.4Å; R502-L506 PolarHBondContact O-N 3.41Å; R503-L506 PolarHBondContact O-N 3.42Å; Q504-L506 VanDerWaalsContact C-N 3.34Å; L506-Q508 VanDerWaalsContact C-N 3.31Å; L506-Q508 PolarHBondContact O-N 3.17Å; L506-A509 PolarHBondContact O-N 3.48Å; L506-L510 VanDerWaalsContact O-CB 3.27Å; L506-L510 WeakPolarHBondContact O-CB 3.4Å; L506-L510 WeakPolarHBondContact O-CD1 3.27Å; L506-L510 VanDerWaalsContact O-CG 3.23Å; L506-L510 WeakPolarHBondContact O-CG 3.35Å; L506-L510 PolarHBondContact O-N 2.87Å
507E84.3Confident81Confident50 Ų50108.3 Ų108.323%0.23456%0.556CS.*Hα-helixtrans-62.5-38.6176.6-74.1175.4174.500111.2R503 Q504 G511 I512R503-E507 HydrophobicContact CG-CG 4.38Å; R503-E507 IonicContact CZ-OE1 2.79Å; R503-E507 IonicContact NE-OE1 2.73Å; R503-E507 PolarHBondContact NE-OE1 3.37Å; R503-E507 IonicContact NH2-OE1 3.51Å; R503-E507 PolarHBondContact NH2-OE1 2.97Å; R503-E507 WeakPolarHBondContact O-CB 3.31Å; R503-E507 WeakPolarHBondContact O-CG 3.31Å; R503-E507 PolarHBondContact O-N 2.74Å; Q504-E507 PolarHBondContact O-N 2.89Å; E507-G511 PolarHBondContact O-N 3.2Å; E507-I512 PolarHBondContact O-N 3.25Å
508Q82.7Confident80.3Confident144 Ų144110.8 Ų110.867%0.67356%0.563SS**Hα-helixtrans-65.7-45.5171.8-80-177.6-1.200112.6Q504 L506 L510 G511Q504-Q508 WeakPolarHBondContact O-CB 3.4Å; Q504-Q508 WeakPolarHBondContact O-CG 3.23Å; Q504-Q508 PolarHBondContact O-N 3.09Å; L506-Q508 VanDerWaalsContact C-N 3.31Å; L506-Q508 PolarHBondContact O-N 3.17Å; Q508-L510 VanDerWaalsContact C-N 3.31Å; Q508-L510 PolarHBondContact O-N 3.35Å; Q508-G511 PolarHBondContact O-N 3.21Å
509A81.3Confident79.3Confident86 Ų86112.9 Ų112.971%0.71158%0.577SS**Hα-helixtrans-66.6-32179.800000112.9E505 L506 G511E505-A509 VanDerWaalsContact O-CB 3.3Å; E505-A509 WeakPolarHBondContact O-CB 3.22Å; E505-A509 PolarHBondContact O-N 2.99Å; L506-A509 PolarHBondContact O-N 3.48Å; A509-G511 VanDerWaalsContact C-N 3.32Å
510L81Confident78.4Confident124 Ų124115.9 Ų115.965%0.64959%0.588SS**THydrogen-bonded Turntrans-87.10.8177.9-66.2167.5000113.1L506 Q508 I512L506-L510 VanDerWaalsContact O-CB 3.27Å; L506-L510 WeakPolarHBondContact O-CB 3.4Å; L506-L510 WeakPolarHBondContact O-CD1 3.27Å; L506-L510 VanDerWaalsContact O-CG 3.23Å; L506-L510 WeakPolarHBondContact O-CG 3.35Å; L506-L510 PolarHBondContact O-N 2.87Å; Q508-L510 VanDerWaalsContact C-N 3.31Å; Q508-L510 PolarHBondContact O-N 3.35Å; L510-I512 HydrophobicContact CB-CD1 4Å; L510-I512 HydrophobicContact CB-CG1 4Å; L510-I512 HydrophobicContact CD1-CD1 4.49Å; L510-I512 PolarHBondContact O-N 2.93Å
511G69.6Low77.5Confident61 Ų61118.9 Ų118.963%0.62961%0.605SS**THydrogen-bonded Turntrans68.216177.500000114.6E507 Q508 A509 R513E507-G511 PolarHBondContact O-N 3.2Å; Q508-G511 PolarHBondContact O-N 3.21Å; A509-G511 VanDerWaalsContact C-N 3.32Å; G511-R513 PolarHBondContact O-N 3.49Å
512I64.8Low76.4Confident93 Ų93121.7 Ų121.748%0.47762%0.622SS.*  trans-82.587.2-177.9-53.9174.9000107.8E507 L510 N514E507-I512 PolarHBondContact O-N 3.25Å; L510-I512 HydrophobicContact CB-CD1 4Å; L510-I512 HydrophobicContact CB-CG1 4Å; L510-I512 HydrophobicContact CD1-CD1 4.49Å; L510-I512 PolarHBondContact O-N 2.93Å; I512-N514 PolarHBondContact O-N 2.98Å
513R56.7Low75.1Confident237 Ų237119 Ų11989%0.89462%0.624SS**  trans-75.4104.6164.6-79.4-176.1178176.70108.2G511 T515G511-R513 PolarHBondContact O-N 3.49Å; R513-T515 PolarHBondContact O-N 2.85Å
514N57.7Low73.9Confident117 Ų117118.3 Ų118.363%0.62664%0.636SS**  trans-61.3122.9162.7-79.1-27.8000108.2I512I512-N514 PolarHBondContact O-N 2.98Å
515T44.1Very low72.6Confident211 Ų211118.5 Ų118.5100%1.29465%0.645SS**  trans-75.30165.527.90000110.2R513R513-T515 PolarHBondContact O-N 2.85Å

Retrieved 515 of 515 residues in 810 ms (Link to these results)