A0A096MVD2_PAPAN Loading...

C1q and TNF related 2

AlphaFold DB , UniProt , Accession A0A096MVD2, Species PAPAN (Papio anubis, Olive baboon), Gene C1QTNF2, Length 330 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.7Very low35.7Very low254 Ų254137.3 Ų137.3100%1.25185%0.849SS**  0106.10-65.7166.1168.100105.8
2G35.8Very low37Very low73 Ų73137.3 Ų137.375%0.75385%0.852SS**  cis116.1123.928.500000108.5
3K37.1Very low36.6Very low203 Ų203133.9 Ų133.988%0.88385%0.847SS**  trans101133.8175.6-59.9-171173.2177.40115.6
4L31.5Very low36.2Very low146 Ų146132.1 Ų132.176%0.76485%0.85SS**  cis-162.9151.8-4.6-14090.6000108.9
5C32.6Very low35.8Very low117 Ų117129.5 Ų129.579%0.79184%0.844SS**  trans-92.8163171.8-66.50000112.4
6L33Very low35.4Very low175 Ų175127.1 Ų127.192%0.91684%0.839SS**  trans171.8133.3146.9-94.1142.8000106.4
7G34.3Very low35.1Very low68 Ų68129.5 Ų129.570%0.70184%0.836SS**  cis158.9165.19.100000108.2
8P57.2Low34.7Very low134 Ų134130.3 Ų130.387%0.8783%0.827SS**  trans-120.2178.3-153.640.2-26.8000116.3
9A32.7Very low34.4Very low89 Ų89128.4 Ų128.474%0.73682%0.817SS**  trans-169118155.200000110.2
10L30.6Very low34.2Very low180 Ų180132.3 Ų132.394%0.94282%0.815SS**  51.9123.477.2-72.4161.2000112.7
11G30.5Very low34Very low71 Ų71132.7 Ų132.773%0.73281%0.813SS**  cis160.8-162.710.800000106.2
12P51.3Low33.5Very low137 Ų137125.2 Ų125.289%0.8979%0.791SS**  -132.3-177.9-54.340.5-23.6000114.4
13A31.1Very low33.2Very low94 Ų94129.1 Ų129.178%0.77779%0.79SS**  trans143.4103.914500000112.8
14A31.2Very low33.4Very low108 Ų108124.6 Ų124.689%0.89378%0.781SS**  74.9131.394.200000113.4
15A30.7Very low33.1Very low93 Ų93126.6 Ų126.677%0.76978%0.779SS**  cis-156.4147.725.100000110.8
16A29.6Very low32.9Very low91 Ų91130.1 Ų130.175%0.75278%0.775SS**  49.1134.1112.200000115.9
17E29.2Very low32.5Very low169 Ų169128.8 Ų128.879%0.7976%0.764SS**  cis-168.6136.633.2-131.516795.200107.1
18E28.1Very low32.2Very low144 Ų144132.5 Ų132.567%0.67377%0.767SS**  73.3126.3109.5-164.4148.117800115
19S28.9Very low30.7Very low93 Ų93134.4 Ų134.465%0.6577%0.769SS**  cis-171.3139.738.531.60000108.9
20R30.4Very low30.4Very low206 Ų206135.9 Ų135.978%0.77777%0.773SS**  57.2134.9109.8-61-171.8-160.216610.9115.8
21D29.4Very low30.2Very low141 Ų141133.4 Ų133.475%0.75477%0.771SS**  cis-157.6130.215.9-85-41.7000106.9
22A28.7Very low30Very low97 Ų97133.2 Ų133.280%0.80277%0.769SS**  71.4112.48700000116.7
23E28.1Very low28.8Very low155 Ų155138.2 Ų138.272%0.72477%0.77SS**  trans-38.2-176.8155.8-110.3-179.6110.300116.2R25E23-R25 IonicContact OE1-NE 3.64Å
24P41.8Very low29.3Very low109 Ų109138.6 Ų138.671%0.70876%0.764SS**  cis-146.3165.92124.53.7000120.1
25R26.4Very low29Very low188 Ų188143.9 Ų143.971%0.70976%0.761SS**  trans33.9129.9132.3-60.7-173.7173.6-157.6-1.5124E23E23-R25 IonicContact OE1-NE 3.64Å
26R26.9Very low28.9Very low191 Ų191145.5 Ų145.572%0.72176%0.762SS**  81129.5118.8-79.8-168.3177.9-162.40.2123.4
27E25.1Very low28.8Very low146 Ų146151.5 Ų151.568%0.68277%0.765SS**  trans91.6122.2132.7-74.9-169.2158.400122.2
28L29Very low28.8Very low146 Ų146154.4 Ų154.476%0.76477%0.769SS**  trans33.2126.8136.2-75.4133000119.6
29L24.6Very low29Very low174 Ų174153.4 Ų153.491%0.91177%0.773SS**  179.8143.3113.8-98.7146.9000113.6
30C26.3Very low29.2Very low120 Ų120153.8 Ų153.881%0.81178%0.782SS**  trans-69.7146.6170.3-740000113.7
31S27.7Very low29.3Very low129 Ų129149 Ų14990%0.90279%0.787SS**  trans165.7148.8144.150.10000107.2
32G25.9Very low29.7Very low67 Ų67153.6 Ų153.669%0.69179%0.793SS**  cis145.678.18.400000110.4
33R25.5Very low30.2Very low242 Ų242156 Ų15691%0.91380%0.798SS**  trans54.6-177.9161.7-57.2-170.5-171.7-1371.8117.2
34P42.8Very low30.7Very low101 Ų101153.9 Ų153.966%0.65680%0.796SS**  cis-135170.2-18.213.413.1000116.5
35W24.9Very low30.7Very low219 Ų219154.2 Ų154.283%0.8380%0.796SS**  trans66.8127.9141.7-6929.6000119.5
36T28.4Very low31.2Very low128 Ų128154.1 Ų154.179%0.78581%0.806SS**  -170.7167.263.438.60000113.1
37W26.8Very low31.9Very low216 Ų216152.2 Ų152.282%0.81881%0.808SS**  trans-60.4154.2-170.6-62.876.6000120
38R28.2Very low32.9Very low231 Ų231150.4 Ų150.487%0.87281%0.809SS**  -169.5126120-101.5170.3-150.6-1155.2113.4
39T33.4Very low33.5Very low122 Ų122154.9 Ų154.975%0.74882%0.816SS**  trans53.3108.3143.755.20000119.8
40A32.6Very low34.6Very low101 Ų101152.7 Ų152.784%0.83581%0.809SS**  80.1106.97100000115.1
41A33.8Very low35.4Very low107 Ų107155 Ų15588%0.88481%0.813SS**  trans-166.8120.7138.200000110.6
42R37Very low36.2Very low237 Ų237156.5 Ų156.589%0.89481%0.81SS**  trans-80.2141.3168.5-73.5170.6168.4172-5109.3
43V38.7Very low37.1Very low148 Ų148158.3 Ų158.390%0.89782%0.818SS**  trans-143.9122.7137.9-1780000108.7
44T40Very low37.9Very low110 Ų110153.1 Ų153.168%0.67582%0.817SS**  trans-90.4163.8179.929.80000112.3
45T39.9Very low37.7Very low116 Ų116152.5 Ų152.571%0.71282%0.821SS**  trans86114.315768.70000118.7
46M37.3Very low38.5Very low186 Ų186150.1 Ų150.192%0.91682%0.824SS**  -163.9132.5117.8-87.6-55.1156.100109.5
47I42.9Very low39.5Very low150 Ų150149.9 Ų149.977%0.76982%0.824SS**  trans-92.3155.8-169.5-76.3169.5000110
48P46.3Very low39.8Very low108 Ų108146.1 Ų146.170%0.70183%0.83SS**  trans-89.6134.8-150.933.9-30.1000114.7V50P48-V50 PolarHBondContact O-N 3.38Å
49W40.8Very low40.7Very low240 Ų240140.1 Ų140.191%0.90983%0.829SS**  trans-92.746.1176.9-8670.3000113.3
50V46.7Very low41Very low128 Ų128138.5 Ų138.578%0.77683%0.828SS**  trans-117.66.4-179-171.50000112.9P48P48-V50 PolarHBondContact O-N 3.38Å
51L44.7Very low41.5Very low169 Ų169140.9 Ų140.989%0.88583%0.827SS**SBendtrans-121.645.9177.6-68.2174.8000113
52L44.8Very low42.2Very low161 Ų161141.5 Ų141.584%0.84382%0.822SS**  trans-143.751.9171.8-141.493000112.5
53A43.1Very low42.7Very low104 Ų104138.1 Ų138.186%0.8682%0.821SS**  trans-128.731.3168.400000111.9
54C42.8Very low43Very low133 Ų133139.8 Ų139.890%0.89982%0.824SS**  trans-109.288.9166.5-80.30000108.6
55A39.3Very low43.1Very low89 Ų89138.4 Ų138.474%0.73683%0.832SS**  trans166.2105.3145.700000110.1
56L40.2Very low43.3Very low169 Ų169137.4 Ų137.489%0.88584%0.835SS**  173.3131.8114.9-88.2165.5000109.8
57P49.6Very low43.7Very low122 Ų122138.4 Ų138.479%0.79283%0.834SS**  trans-89.9142.2-17935.4-29.8000110.8
58C34.7Very low43.7Very low138 Ų138135.8 Ų135.893%0.93284%0.835SS**  trans-139.2125.8164.5-130.20000110.3
59A47.1Very low43.5Very low105 Ų105141 Ų14187%0.86884%0.841SS**  trans-80.1131.2-175.800000111.9
60A39.4Very low43.2Very low88 Ų88140.8 Ų140.873%0.72784%0.84SS**  trans177.9127.515700000104.2
61D42.6Very low42.8Very low150 Ų150140.5 Ų140.580%0.80283%0.834SS**  cis-160.6144.335.1-86.3-56.5000108.9
62P47.6Very low42.4Very low121 Ų121141 Ų14179%0.78683%0.83SS**  trans-110.169.1169.638.2-26.9000111.2
63L48.6Very low42.3Very low165 Ų165144.5 Ų144.586%0.86483%0.831SS**  trans-145.442.7173.8-79.9-177.4000114.7
64L44.7Very low42.1Very low183 Ų183148.1 Ų148.196%0.95883%0.828SS**SBendtrans-148.932169.4-106154.1000113.5
65G42.8Very low42Very low82 Ų82144.6 Ų144.685%0.84581%0.814SS**  trans-115.322.7-176.600000115.7
66A44.1Very low42.1Very low94 Ų94144.9 Ų144.978%0.77781%0.811SS**SBendtrans-111.613.3-17300000115.2
67F44.2Very low42.4Very low207 Ų207141.9 Ų141.991%0.90880%0.801SS**SBendtrans-136.726.3-177.7-113.9-88.3000115.9
68A43.9Very low42.3Very low95 Ų95144.5 Ų144.579%0.78580%0.803SS**  trans-147.754.2174.600000113.4
69R42.9Very low43Very low218 Ų218144 Ų14482%0.82379%0.79SS**  trans-141.273.8151.7-89.5-167.8-176.6166.70.4109D71R69-D71 PolarHBondContact O-N 3.48Å
70R34.6Very low43.1Very low236 Ų236144.7 Ų144.789%0.89178%0.783SS**  trans-81.882.7143.2-83.8-176177140.9-0.6105.6F72R70-F72 PolarHBondContact O-N 3.36Å
71D36.8Very low44Very low121 Ų121143.1 Ų143.165%0.64777%0.767SS**  trans-57.395.4153.7-77.6-42.4000105.4R69 R73R69-D71 PolarHBondContact O-N 3.48Å; D71-R73 PolarHBondContact O-N 3.48Å
72F37.4Very low44.8Very low181 Ų181139.2 Ų139.279%0.79475%0.751SS**  trans-66.283.8161.7-147.3-91.3000104.2R70 K74R70-F72 PolarHBondContact O-N 3.36Å; F72-K74 HydrophobicContact CD1-CB 4.19Å; F72-K74 PolarHBondContact O-N 2.65Å
73R41.1Very low45.6Very low234 Ų234140.4 Ų140.488%0.88375%0.75SS**  trans-61.281.2156.8-84.3-171.8174.6-167.4-1104.9D71 G75D71-R73 PolarHBondContact O-N 3.48Å; R73-G75 PolarHBondContact O-N 3.3Å
74K39.7Very low46.7Very low179 Ų179136 Ų13678%0.77873%0.732SS**  trans-56.1102161.8-160.1172.5-172.2179.20102.7F72 S76F72-K74 HydrophobicContact CD1-CB 4.19Å; F72-K74 PolarHBondContact O-N 2.65Å; K74-S76 PolarHBondContact O-N 3.46Å
75G40Very low47.8Very low60 Ų60128.8 Ų128.862%0.61970%0.701SS**  trans-49115.6177.200000106.3R73 P77R73-G75 PolarHBondContact O-N 3.3Å; G75-P77 VanDerWaalsContact O-N 3.14Å
76S42.6Very low49.2Very low95 Ų95131 Ų13166%0.66470%0.701SS**  trans-41.2124.1152.636.80000105.3K74 Q78K74-S76 PolarHBondContact O-N 3.46Å; S76-Q78 VanDerWaalsContact C-N 3.33Å; S76-Q78 PolarHBondContact O-N 3.49Å
77P47Very low50.8Low105 Ų105130.7 Ų130.768%0.68268%0.683SS**  trans-53.3111.217522.7-31000104.8G75 L79G75-P77 VanDerWaalsContact O-N 3.14Å; P77-L79 PolarHBondContact O-N 3.5Å
78Q46.3Very low52.2Low178 Ų178122 Ų12283%0.83265%0.652SS**  trans-66.489.7166-77.8-166.6-1.700102.9S76 V80S76-Q78 VanDerWaalsContact C-N 3.33Å; S76-Q78 PolarHBondContact O-N 3.49Å; Q78-V80 PolarHBondContact O-N 3.49Å
79L50.5Low53.6Low127 Ų127123 Ų12367%0.66565%0.65SS**  trans-60102.9166.7-68.2171.5000103.5P77 C81P77-L79 PolarHBondContact O-N 3.5Å; L79-C81 PolarHBondContact O-N 3.04Å
80V49.2Very low55.3Low119 Ų119115 Ų11572%0.72163%0.627SS**  trans-61.1109.1-178.7174.70000105.9Q78Q78-V80 PolarHBondContact O-N 3.49Å
81C56.8Low57.2Low56 Ų56105 Ų10538%0.37860%0.597SS.*  trans-50.8150.2168.7-77.70000110.6L79 L83 C186L79-C81 PolarHBondContact O-N 3.04Å; C81-L83 PolarHBondContact O-N 3.42Å; C81-C186 WeakPolarHBondContact CA-SG 2.89Å; C81-C186 HydrophobicContact CB-CB 3.8Å; C81-C186 WeakPolarHBondContact CB-SG 3.44Å; C81-C186 WeakPolarHBondContact SG-CB 2.92Å; C81-C186 CovalentContact SG-SG 2.02Å; C81-C186 PolarHBondContact SG-SG 2.77Å
82S60.3Low59Low68 Ų68104.7 Ų104.748%0.47660%0.602SS.*  trans-43.2114.9175.437.50000110.5
83L63.8Low60.9Low146 Ų14698.6 Ų98.676%0.76458%0.58SS**PPolyproline II helixtrans-55.2142.3176.7-74.1159.3000109C81 G85C81-L83 PolarHBondContact O-N 3.42Å; L83-G85 PolarHBondContact O-N 2.84Å
84P71.9Confident62.3Low73 Ų7389 Ų8947%0.47456%0.555SS.*PPolyproline II helixtrans-47.1137.6173-24.430.1000111P183P84-P183 HydrophobicContact CG-CG 4.26Å
85G68Low64Low31 Ų3184.6 Ų84.632%0.3255%0.551SS.*PPolyproline II helixtrans-57.7146.3177.500000111.1L83 G181L83-G85 PolarHBondContact O-N 2.84Å; G85-G181 PolarHBondContact O-N 2.72Å
86P71.1Confident65.7Low129 Ų12985.9 Ų85.984%0.83855%0.549SS*.PPolyproline II helixtrans-59.2147.6-17826.5-34.8000110.8G88P86-G88 PolarHBondContact O-N 2.92Å
87Q78.6Confident67Low86 Ų8682.7 Ų82.740%0.40253%0.531SS..PPolyproline II helixtrans-59.7129.9-178-164.7177.314.300111.6K177 G178Q87-K177 HydrophobicContact CG-CD 3.94Å; Q87-K177 HydrophobicContact CG-CG 3.87Å; Q87-G178 WeakPolarHBondContact CG-O 3.2Å; Q87-G178 PolarHBondContact NE2-O 3.43Å
88G73.8Confident68.2Low25 Ų2583.6 Ų83.626%0.25854%0.537SS..PPolyproline II helixtrans-58.8151.2-179.700000113.4P86 K177P86-G88 PolarHBondContact O-N 2.92Å; G88-K177 VanDerWaalsContact O-CG 3.25Å; G88-K177 WeakPolarHBondContact O-CG 3.35Å
89P74.1Confident69.5Low115 Ų11578.3 Ų78.375%0.74752%0.52SS*.PPolyproline II helixtrans-63.5152.6-179.827.7-34.5000111.2
90P78.1Confident70.3Confident52 Ų5273.8 Ų73.834%0.33850%0.504SS..PPolyproline II helixtrans-66.2139.5177.7-11.424.7000111.3K174 K177P90-K174 HydrophobicContact CB-CD 3.98Å; P90-K174 HydrophobicContact CB-CG 4.33Å; P90-K177 HydrophobicContact CG-CG 4.31Å
91G74.8Confident71.2Confident26 Ų2676.8 Ų76.827%0.26851%0.512SS..PPolyproline II helixtrans-59.3156-179.200000113.5K174 G175G91-K174 WeakPolarHBondContact O-CG 3.47Å; G91-G175 PolarHBondContact O-N 3.5Å
92P73Confident71.9Confident114 Ų11479.6 Ų79.674%0.7452%0.521SS*.PPolyproline II helixtrans-61.1152.517926.8-34.1000111.1
93P77.8Confident72.1Confident53 Ų5378.1 Ų78.134%0.34452%0.516SS..PPolyproline II helixtrans-66.6142.9177.9-9.623.3000111.3K171P93-K171 HydrophobicContact CB-CD 4.04Å; P93-K171 HydrophobicContact CB-CG 4.39Å
94G71.6Confident72.2Confident33 Ų3382.8 Ų82.834%0.3452%0.524SS..PPolyproline II helixtrans-57.9154.8-178.800000113.3K171 G172 P173G94-K171 WeakPolarHBondContact O-CG 3.12Å; G94-G172 PolarHBondContact O-N 3.22Å; G94-P173 PolarHBondContact N-O 3.48Å
95A74.6Confident72Confident86 Ų8684.6 Ų84.671%0.71153%0.527SS*.PPolyproline II helixtrans-60.3152.317800000111.7
96P76.6Confident71.8Confident87 Ų8785 Ų8557%0.56553%0.531SS*.BIsolated β-bridgetrans-56.1141.9171.7-22.633.8000111.7
97G69.8Low71.5Confident28 Ų2888.2 Ų88.229%0.28953%0.532SS..PPolyproline II helixtrans-66.2156.5174.400000112.2G169G97-G169 PolarHBondContact O-N 2.77Å
98P70.6Confident71Confident123 Ų12387.3 Ų87.380%0.79953%0.534SS*.PPolyproline II helixtrans-60.7149.7179.226.9-34.5000111.5
99S73.9Confident70.4Confident68 Ų6888 Ų8848%0.47654%0.541SS..PPolyproline II helixtrans-62142.2176.1-64.10000111.5
100G67.5Low70Confident32 Ų3292 Ų9233%0.3355%0.547SS..PPolyproline II helixtrans-63.4141.2178.100000112.6G166G100-G166 PolarHBondContact O-N 3.16Å
101M67.8Low69.6Low181 Ų18192.6 Ų92.689%0.89255%0.547SS*.PPolyproline II helixtrans-61.4147.2179.7-67.217869.200112G103M101-G103 PolarHBondContact O-N 3.25Å
102M71.5Confident69Low115 Ų11593.2 Ų93.257%0.56755%0.553SS**PPolyproline II helixtrans-59.5133177.1-170.6165.858.900111.3P162 G163M102-P162 HydrophobicContact SD-CB 4.32Å; M102-G163 WeakPolarHBondContact CG-O 3.44Å
103G65.6Low68.5Low37 Ų3796.7 Ų96.738%0.38156%0.56SS.*PPolyproline II helixtrans-61145.4178.400000112.5M101 G163M101-G103 PolarHBondContact O-N 3.25Å; G103-G163 PolarHBondContact O-N 3.22Å
104R65.2Low68Low244 Ų24499.9 Ų99.992%0.92157%0.574SS**PPolyproline II helixtrans-60.8143.4179-69.8-173.7178.1-167.4-0.5110.9
105M68.3Low67.5Low111 Ų111100.4 Ų100.455%0.54758%0.579SS.*PPolyproline II helixtrans-59.2138.1176.5-169.2-179.6-67.900110.5G160 P162M105-G160 WeakPolarHBondContact CG-O 3.45Å; M105-P162 HydrophobicContact CE-CG 4.45Å
106G62.8Low66.8Low39 Ų39105.5 Ų105.540%0.40259%0.588SS.*PPolyproline II helixtrans-63148.417600000112.1
107F64.7Low66.2Low197 Ų197107.8 Ų107.886%0.86460%0.595SS**PPolyproline II helixtrans-61.5145.5178-69.5-78.5000111.4
108P68.3Low65.7Low68 Ų68109 Ų10944%0.44261%0.608SS.*PPolyproline II helixtrans-58.9146.7176.2-20.931.9000112N159P108-N159 WeakPolarHBondContact CG-OD1 3.32Å
109G62.8Low65.2Low38 Ų38111 Ų11139%0.39261%0.612SS.*PPolyproline II helixtrans-59.2149.5173.200000112
110K63.9Low64.5Low201 Ų201119.1 Ų119.187%0.87463%0.632SS**PPolyproline II helixtrans-65.4143.5175.4-65.5-175.9178.3-1790110.2
111D70.2Confident64.1Low63 Ų63120.8 Ų120.834%0.33765%0.65SS.*PPolyproline II helixtrans-64.8148.5178.7-63.6-19.8000111.4R153 K156D111-R153 IonicContact OD2-CZ 3.65Å; D111-R153 IonicContact OD2-NH2 2.65Å; D111-R153 PolarHBondContact OD2-NH2 3.34Å; D111-K156 VanDerWaalsContact OD1-CG 3.32Å; D111-K156 WeakPolarHBondContact OD1-CG 3.02Å
112G61.8Low63.6Low39 Ų39120.2 Ų120.240%0.40265%0.65SS.*PPolyproline II helixtrans-62.6149175.500000112.1
113Q63.1Low63Low188 Ų188120.5 Ų120.588%0.87966%0.664SS**PPolyproline II helixtrans-65.7149174.6-71.5-176.84.400111
114D67.8Low62.5Low120 Ų120122.5 Ų122.564%0.64268%0.684SS**PPolyproline II helixtrans-64.8145.7177.9-65-32000111
115G60.2Low62.2Low44 Ų44120.4 Ų120.445%0.45469%0.685SS.*PPolyproline II helixtrans-69.7147.6178.300000112
116Q60.5Low61.7Low193 Ų193124.4 Ų124.490%0.90270%0.702SS**PPolyproline II helixtrans-67.1148.2175.5-72.3-176.41.900111.7
117D64.3Low61.2Low134 Ų134125.4 Ų125.472%0.71771%0.712SS**PPolyproline II helixtrans-60.8141.8178.9-66.4-30.9000111.5
118G58.9Low60.8Low53 Ų53121.9 Ų121.955%0.54671%0.71SS.*PPolyproline II helixtrans-75.8150.1-18000000113.4
119D59.4Low60.2Low166 Ų166124.9 Ų124.989%0.88873%0.729SS**PPolyproline II helixtrans-61.7150.1-179.3-69.9-42.8000113.7G121D119-G121 PolarHBondContact O-N 3.14Å
120R60.6Low59.4Low238 Ų238126.7 Ų126.790%0.89875%0.747SS**PPolyproline II helixtrans-66.4125.4-176.7-170.1178.9-168.9166.53.2110.9
121G58.8Low58.6Low68 Ų68128.3 Ų128.370%0.70175%0.748SS**PPolyproline II helixtrans-65.3145.2179.600000114.1D119D119-G121 PolarHBondContact O-N 3.14Å
122D57.1Low57.1Low168 Ų168131.5 Ų131.590%0.89877%0.77SS**PPolyproline II helixtrans-67.3155-179-71.4-43000113.8
123S57.9Low56.1Low122 Ų122133 Ų13385%0.85379%0.785SS**PPolyproline II helixtrans-71.5133.9-176.6-65.50000112
124G56.8Low55.1Low79 Ų79132.1 Ų132.181%0.81479%0.787SS**PPolyproline II helixtrans-66.4140.2-178.500000113.9
125E58.1Low54Low199 Ų199138.5 Ų138.593%0.9380%0.802SS**PPolyproline II helixtrans-69.3151.2178.2-67.5-175.1149.500113.2
126E58.7Low53.5Low195 Ų195139.6 Ų139.691%0.91181%0.813SS**PPolyproline II helixtrans-76.3134.9-174.9-163.9169-166.100111.9
127G51.8Low52.8Low60 Ų60140.2 Ų140.262%0.61981%0.813SS**PPolyproline II helixtrans-67146.4-177.100000113
128P56.7Low52.4Low124 Ų124140 Ų14081%0.80582%0.818SS**PPolyproline II helixtrans-66.4150.8-175.624.5-32.9000113.3
129P54.3Low52.2Low130 Ų130140.6 Ų140.684%0.84483%0.825SS**PPolyproline II helixtrans-72.5132-169.4-14.729.8000113.6
130G47.3Very low52Low76 Ų76139.1 Ų139.178%0.78483%0.825SS**PPolyproline II helixtrans-84.2131.8166.800000112.7
131R45.7Very low51.9Low236 Ų236137.6 Ų137.689%0.89183%0.825SS**  trans-153.9136.6172.1-106.6-179136.8171-3.8108.5
132T39.5Very low51.9Low130 Ų130137.8 Ų137.880%0.79883%0.826SS**SBendcis-148.9135.10.7-47.30000110.5
133G40.1Very low51.8Low69 Ų69139.8 Ų139.871%0.71183%0.827SS**SBendtrans173.778.3166.400000113.1
134N42.8Very low51.8Low171 Ų171138.7 Ų138.791%0.91483%0.825SS**SBendtrans70.1134175.2-61.9-24.4000118.7G136N134-G136 PolarHBondContact O-N 3.31Å
135R45.5Very low51.9Low254 Ų254138.3 Ų138.396%0.95882%0.822SS**  trans-75.7109.5-148.9-172.8177.8-177.9177.31114.5
136G49.3Very low51.8Low67 Ų67133.7 Ų133.769%0.69182%0.817SS**PPolyproline II helixtrans-80.4154.2165.300000113.1N134N134-G136 PolarHBondContact O-N 3.31Å
137K46.1Very low51.9Low205 Ų205132 Ų13289%0.89181%0.813SS**PPolyproline II helixtrans-82142.6164.9-74.1-179.1178.4179.60109.5
138P54.6Low52.1Low129 Ų129131.5 Ų131.584%0.83881%0.808SS**PPolyproline II helixtrans-56.6142.9-178.1-24.933.7000114
139G55.3Low52.2Low67 Ų67137.3 Ų137.369%0.69181%0.814SS**PPolyproline II helixtrans-70.2150.2177.600000113
140P55.3Low52.5Low135 Ų135134.4 Ų134.488%0.87780%0.801SS**PPolyproline II helixtrans-67.8141.8177.826.2-32000112.5
141K59.3Low53Low206 Ų206132.8 Ų132.890%0.89678%0.784SS**PPolyproline II helixtrans-50.1137.1-179.6-162.7173.9-175.9176.70112.6
142G58Low53.7Low72 Ų72127.6 Ų127.674%0.74278%0.781SS**PPolyproline II helixtrans-57140177.600000112.6
143K55.8Low55Low209 Ų209129 Ų12991%0.90977%0.772SS**PPolyproline II helixtrans-68.4141.5175.3-67.3-177.8179.1-179.20109.7
144A57.9Low56Low99 Ų99127 Ų12782%0.81875%0.75SS**PPolyproline II helixtrans-55.4141.517600000111.4
145G57.6Low56.9Low72 Ų72124.7 Ų124.774%0.74275%0.745SS**PPolyproline II helixtrans-57.2140.7175.200000111.4
146A56.5Low57.9Low101 Ų101120.4 Ų120.484%0.83573%0.733SS**PPolyproline II helixtrans-63.9139.7177.900000110.6G148A146-G148 PolarHBondContact O-N 3.4Å
147I60.5Low58.5Low159 Ų159118.3 Ų118.382%0.81571%0.711SS**PPolyproline II helixtrans-55.8131.3171.4-62.1170.6000108.1R149I147-R149 PolarHBondContact O-N 2.83Å
148G56.9Low59.3Low50 Ų50115 Ų11552%0.51571%0.708SS.*PPolyproline II helixtrans-55.7136.917600000110.5A146A146-G148 PolarHBondContact O-N 3.4Å
149R58Low59.9Low247 Ų247114 Ų11493%0.93270%0.696SS**PPolyproline II helixtrans-63.2139.4179.3-68.4-173.7173.9-155.4-1.3109.9I147 G151I147-R149 PolarHBondContact O-N 2.83Å; R149-G151 PolarHBondContact O-N 2.9Å
150A60.6Low60.2Low69 Ų69112 Ų11257%0.5768%0.675SS**PPolyproline II helixtrans-50.2139.7172.100000110.8
151G58.7Low60.6Low42 Ų42111.5 Ų111.543%0.43367%0.67SS.*PPolyproline II helixtrans-59.5151.6178.700000111.8R149 R153R149-G151 PolarHBondContact O-N 2.9Å; G151-R153 PolarHBondContact O-N 3.4Å
152P59.9Low61.1Low126 Ų126105.5 Ų105.582%0.81865%0.651SS**PPolyproline II helixtrans-63.2138.8179.126.5-33.1000110.9G154P152-G154 PolarHBondContact O-N 3.3Å
153R66.1Low61.3Low161 Ų161103.3 Ų103.361%0.60863%0.629SS**PPolyproline II helixtrans-53.4137.9173.8179.1171.6171.1176.60.9110.3D111 G151D111-R153 IonicContact OD2-CZ 3.65Å; D111-R153 IonicContact OD2-NH2 2.65Å; D111-R153 PolarHBondContact OD2-NH2 3.34Å; G151-R153 PolarHBondContact O-N 3.4Å
154G61.7Low61.9Low25 Ų25102.9 Ų102.926%0.25863%0.627SS.*PPolyproline II helixtrans-56.8152.8178.900000112.8P152P152-G154 PolarHBondContact O-N 3.3Å
155P60.8Low62.5Low124 Ų124104.6 Ų104.681%0.80562%0.618SS**PPolyproline II helixtrans-62145.9-178.225.4-33.2000111.8
156K67.1Low62.8Low164 Ų164102.4 Ų102.471%0.71360%0.596SS**PPolyproline II helixtrans-59.6138.8178.2-164.5175-1731750110.5D111D111-K156 VanDerWaalsContact OD1-CG 3.32Å; D111-K156 WeakPolarHBondContact OD1-CG 3.02Å
157G61.9Low63.4Low22 Ų22103.5 Ų103.523%0.22759%0.592CS.*PPolyproline II helixtrans-57.8142.7177.300000112.5
158V62.6Low64.1Low137 Ų137100.4 Ų100.483%0.8358%0.582SS**PPolyproline II helixtrans-68.8142-178.7-144.90000110.7
159N67.7Low64.7Low108 Ų10899.3 Ų99.358%0.57857%0.571SS**PPolyproline II helixtrans-64141.9177.5-82.1-6.8000111.5P108P108-N159 WeakPolarHBondContact CG-OD1 3.32Å
160G60.7Low65.5Low25 Ų2597.1 Ų97.126%0.25857%0.568SS.*PPolyproline II helixtrans-63.9150.717600000112.6M105M105-G160 WeakPolarHBondContact CG-O 3.45Å
161T64.3Low66.2Low124 Ų124100 Ų10076%0.76157%0.568SS**PPolyproline II helixtrans-72.6150.4178.248.90000111.9
162P69.6Low66.9Low79 Ų7999 Ų9951%0.51356%0.558SS.*PPolyproline II helixtrans-59.8143.4175.4-22.833.2000112.4M102 M105M102-P162 HydrophobicContact SD-CB 4.32Å; M105-P162 HydrophobicContact CE-CG 4.45Å
163G62.6Low67.7Low26 Ų2698.8 Ų98.827%0.26856%0.557SS.*PPolyproline II helixtrans-64.8151.5175.600000112.2M102 G103M102-G163 WeakPolarHBondContact CG-O 3.44Å; G103-G163 PolarHBondContact O-N 3.22Å
164K68.1Low68.2Low201 Ų20197.7 Ų97.787%0.87456%0.556SS**PPolyproline II helixtrans-64.6149.7177.8-66.3-174.9179.4-1780111.5
165H70.9Confident68.7Low134 Ų13498 Ų9862%0.6256%0.559SS**PPolyproline II helixtrans-63.5142176.4-127.969.9000111.1
166G62.8Low69.4Low27 Ų27101.5 Ų101.528%0.27856%0.562SS.*PPolyproline II helixtrans-68.6148175.900000111.5G100G100-G166 PolarHBondContact O-N 3.16Å
167T70.8Confident69.8Low123 Ų12399 Ų9976%0.75555%0.551SS**PPolyproline II helixtrans-67.5153.2176.448.10000111.5
168P74.6Confident70.3Confident95 Ų9599.5 Ų99.562%0.61756%0.555SS**PPolyproline II helixtrans-57.7143.2175.1-24.834.5000112.3
169G69.6Low70.9Confident27 Ų27101.3 Ų101.328%0.27856%0.555SS.*PPolyproline II helixtrans-63.6145.8176.900000112.1G97G97-G169 PolarHBondContact O-N 2.77Å
170K74.8Confident71.3Confident200 Ų200100 Ų10087%0.8755%0.553SS**PPolyproline II helixtrans-60.7145.8177.5-66.7-176.1179.81800110.8
171K76.1Confident71.7Confident130 Ų130100.4 Ų100.457%0.56556%0.557SS**BIsolated β-bridgetrans-57.3136.8174.1-164.4179.2-167-172.50110.2P93 G94P93-K171 HydrophobicContact CB-CD 4.04Å; P93-K171 HydrophobicContact CB-CG 4.39Å; G94-K171 WeakPolarHBondContact O-CG 3.12Å
172G73.3Confident72.2Confident22 Ų22102.2 Ų102.223%0.22756%0.561CS.*PPolyproline II helixtrans-62.2157.2178.100000112.7G94G94-G172 PolarHBondContact O-N 3.22Å
173P75.1Confident72Confident121 Ų121102.4 Ų102.479%0.78656%0.562SS**PPolyproline II helixtrans-61.9159178.627.3-34.4000111.6G94G94-P173 PolarHBondContact N-O 3.48Å
174K76.4Confident71.8Confident137 Ų137102.7 Ų102.760%0.59657%0.565SS**PPolyproline II helixtrans-60.2138173.8-162.6179.1-166.7-170.20109.7P90 G91P90-K174 HydrophobicContact CB-CD 3.98Å; P90-K174 HydrophobicContact CB-CG 4.33Å; G91-K174 WeakPolarHBondContact O-CG 3.47Å
175G72.8Confident71.2Confident31 Ų3199.8 Ų99.832%0.3257%0.566SS.*PPolyproline II helixtrans-58.5151.2176.200000111.8G91G91-G175 PolarHBondContact O-N 3.5Å
176K76.2Confident70.2Confident198 Ų19896 Ų9686%0.86156%0.555SS**PPolyproline II helixtrans-59.2150.9176.7-67.8-175.5179.8179.80110.2
177K75.6Confident70Confident113 Ų11397.1 Ų97.149%0.49156%0.558SS.*PPolyproline II helixtrans-64137.9173.9-161.1172.3175.5-161.40108.8Q87 G88 P90Q87-K177 HydrophobicContact CG-CD 3.94Å; Q87-K177 HydrophobicContact CG-CG 3.87Å; G88-K177 VanDerWaalsContact O-CG 3.25Å; G88-K177 WeakPolarHBondContact O-CG 3.35Å; P90-K177 HydrophobicContact CG-CG 4.31Å
178G71.5Confident69.4Low31 Ų3195.6 Ų95.632%0.3255%0.551SS.*PPolyproline II helixtrans-59.4155.517700000111Q87Q87-G178 WeakPolarHBondContact CG-O 3.2Å; Q87-G178 PolarHBondContact NE2-O 3.43Å
179E76.4Confident68.5Low176 Ų17693.8 Ų93.882%0.82255%0.55SS*.PPolyproline II helixtrans-69.6155.5173.5-66.7-170.916200110.5
180P76.1Confident67.9Low81 Ų8199.2 Ų99.253%0.52658%0.584SS.*PPolyproline II helixtrans-53.7143.5169.1-23.334.2000111L182P180-L182 PolarHBondContact O-N 2.02Å
181G69.4Low67Low33 Ų3392.6 Ų92.634%0.3457%0.572SS.*PPolyproline II helixtrans-62.7138.3172.700000109.8G85G85-G181 PolarHBondContact O-N 2.72Å
182L73.2Confident66.4Low162 Ų16292.4 Ų92.485%0.84857%0.573SS**PPolyproline II helixtrans-56.1141.5174.5-67.2173.9000109.6P180 G184P180-L182 PolarHBondContact O-N 2.02Å; L182-G184 PolarHBondContact O-N 3.03Å
183P65.7Low66.5Low82 Ų8295.2 Ų95.253%0.53259%0.585SS.*PPolyproline II helixtrans-51.5140.1169.4-19.528.3000110P84P84-P183 HydrophobicContact CG-CG 4.26Å
184G58.2Low67.1Low32 Ų3295.9 Ų95.933%0.3358%0.576SS.*PPolyproline II helixtrans-59.8152172.200000110.7L182 C186L182-G184 PolarHBondContact O-N 3.03Å; G184-C186 PolarHBondContact O-N 3.45Å
185P55.8Low68Low140 Ų14089.7 Ų89.791%0.90955%0.55SS*.PPolyproline II helixtrans-58.2116.8176.323.8-31.6000109.1
186C49.4Very low69.2Low56 Ų5689.3 Ų89.338%0.37854%0.544SS..  trans-105.699.9-175.5-145.70000110.3C81 G184 C188C81-C186 WeakPolarHBondContact CA-SG 2.89Å; C81-C186 HydrophobicContact CB-CB 3.8Å; C81-C186 WeakPolarHBondContact CB-SG 3.44Å; C81-C186 WeakPolarHBondContact SG-CB 2.92Å; C81-C186 CovalentContact SG-SG 2.02Å; C81-C186 PolarHBondContact SG-SG 2.77Å; G184-C186 PolarHBondContact O-N 3.45Å; C186-C188 PolarHBondContact O-N 3.17Å; C186-C188 VanDerWaalsContact O-N 3.16Å
187S59.1Low70.2Confident50 Ų5080 Ų8035%0.3550%0.503SS..  trans-64.38175.1144.20000119.1G189 H192S187-G189 VanDerWaalsContact C-N 3.28Å; S187-G189 PolarHBondContact O-N 3.1Å; S187-H192 VanDerWaalsContact CA-NE2 3.32Å; S187-H192 WeakPolarHBondContact CA-NE2 3.01Å; S187-H192 WeakPolarHBondContact CB-NE2 3.41Å; S187-H192 PolarHBondContact O-CD2 3.14Å; S187-H192 PolarHBondContact OG-CD2 3.46Å; S187-H192 PolarHBondContact OG-CE1 3.06Å; S187-H192 PolarHBondContact OG-NE2 2.9Å
188C58Low71.3Confident91 Ų9175.8 Ų75.862%0.61549%0.488SS*.THydrogen-bonded Turntrans-8374.4-164.5-65.60000111.2C186C186-C188 PolarHBondContact O-N 3.17Å; C186-C188 VanDerWaalsContact O-N 3.16Å
189G56.3Low72.6Confident56 Ų5674.3 Ų74.358%0.57747%0.473SS*.THydrogen-bonded Turntrans139.3112.1172.900000111.5S187S187-G189 VanDerWaalsContact C-N 3.28Å; S187-G189 PolarHBondContact O-N 3.1Å
190S56Low73.6Confident142 Ų14266 Ų6699%0.99343%0.434SS*.THydrogen-bonded Turntrans74.322.2168.775.80000120.3
191G57.4Low74.5Confident60 Ų6062.2 Ų62.262%0.61941%0.41SS*.THydrogen-bonded Turntrans-138.5-24.517300000116.7
192H63.3Low75.7Confident127 Ų12762.6 Ų62.659%0.58841%0.405SS*.SBendtrans-91126.9-179.8-69-60.4000112.1S187 K194S187-H192 VanDerWaalsContact CA-NE2 3.32Å; S187-H192 WeakPolarHBondContact CA-NE2 3.01Å; S187-H192 WeakPolarHBondContact CB-NE2 3.41Å; S187-H192 PolarHBondContact O-CD2 3.14Å; S187-H192 PolarHBondContact OG-CD2 3.46Å; S187-H192 PolarHBondContact OG-CE1 3.06Å; S187-H192 PolarHBondContact OG-NE2 2.9Å; H192-K194 PolarHBondContact O-N 3.44Å
193T75.7Confident76.7Confident80 Ų8062.2 Ų62.249%0.49140%0.397SS..PPolyproline II helixtrans-57.6116.6168.446.70000110.2V236T193-V236 HydrophobicContact CG2-CG1 4.26Å; T193-V236 HydrophobicContact CG2-CG2 4.06Å; T193-V236 WeakPolarHBondContact OG1-CG1 3.32Å
194K87.7Confident78Confident136 Ų13660.1 Ų60.159%0.59138%0.384SS*.PPolyproline II helixtrans-103.4139.6174.4-63.2178.4-174.7175.80109.5H192 E221H192-K194 PolarHBondContact O-N 3.44Å; K194-E221 HydrophobicContact CB-CG 3.8Å; K194-E221 HydrophobicContact CD-CG 4.19Å; K194-E221 WeakPolarHBondContact CD-OE1 3.34Å; K194-E221 IonicContact NZ-OE1 2.66Å
195S94.9Very high79.7Confident6 Ų662.3 Ų62.34%0.04238%0.383CS..  trans-149.1105.4179.5179.80000108H224 Y240 F318 L319S195-H224 VanDerWaalsContact CB-ND1 3.34Å; S195-H224 WeakPolarHBondContact CB-ND1 3.5Å; S195-H224 PolarHBondContact OG-ND1 2.75Å; S195-Y240 WeakPolarHBondContact CB-OH 3.35Å; S195-Y240 VanDerWaalsContact OG-CE1 3.29Å; S195-Y240 WeakPolarHBondContact OG-CE1 3.45Å; S195-Y240 PolarHBondContact OG-OH 3.03Å; S195-F318 WeakPolarHBondContact O-CA 3.2Å; S195-L319 PolarHBondContact O-N 2.79Å
196A96.9Very high81.5Confident23 Ų2356.9 Ų56.919%0.1935%0.348CS..EExtended strand (participates in β ladder)trans-155.6138.9179.600000111.1M219 N220 E221 G317 F318A196-M219 HydrophobicContact CB-CE 4.36Å; A196-N220 CarbonylContact O-C 3.52Å; A196-E221 HydrophobicContact CB-CB 4.43Å; A196-E221 PolarHBondContact N-O 3.42Å; A196-E221 PolarHBondContact O-N 2.88Å; A196-G317 CarbonylContact C-O 3.54Å; A196-G317 VanDerWaalsContact CA-O 3.31Å; A196-G317 WeakPolarHBondContact CA-O 3.21Å; A196-F318 HydrophobicContact CB-CB 3.67Å
197F98.1Very high83.6Confident3 Ų364 Ų641%0.01337%0.366CS..EExtended strand (participates in β ladder)trans-140151.7173.471.7-81.1000110.8V199 M219 Y225 F232 F242 F315 T316 G317F197-V199 HydrophobicContact CD2-CG1 4.25Å; F197-V199 HydrophobicContact CD2-CG2 4.02Å; F197-V199 HydrophobicContact CE2-CG2 4.2Å; F197-M219 CarbonylContact C-O 3.45Å; F197-M219 VanDerWaalsContact CA-O 3.24Å; F197-M219 WeakPolarHBondContact CA-O 3.31Å; F197-Y225 HydrophobicContact CB-CG 4.44Å; F197-Y225 AromaticContact CD2-CD2 3.61Å; F197-Y225 HydrophobicContact CD2-CD2 3.61Å; F197-Y225 HydrophobicContact CD2-CE2 4.32Å; F197-Y225 AromaticContact CD2-CG 3.86Å; F197-Y225 HydrophobicContact CD2-CG 3.86Å; F197-Y225 AromaticContact CE2-CD2 3.68Å; F197-Y225 HydrophobicContact CE2-CD2 3.68Å; F197-Y225 HydrophobicContact CE2-CE2 4.11Å; F197-Y225 HydrophobicContact CE2-CG 4.38Å; F197-Y225 HydrophobicContact CG-CD2 4.15Å; F197-Y225 HydrophobicContact CG-CG 4.15Å; F197-Y225 HydrophobicContact CZ-CD2 4.25Å; F197-F232 HydrophobicContact CD1-CB 4.48Å; F197-F232 AromaticContact CD1-CD2 3.28Å; F197-F232 HydrophobicContact CD1-CD2 3.28Å; F197-F232 AromaticContact CD1-CE2 3.71Å; F197-F232 HydrophobicContact CD1-CE2 3.71Å; F197-F232 HydrophobicContact CD1-CG 4.11Å; F197-F232 HydrophobicContact CE1-CB 3.79Å; F197-F232 HydrophobicContact CE1-CD1 4.47Å; F197-F232 AromaticContact CE1-CD2 3.22Å; F197-F232 HydrophobicContact CE1-CD2 3.22Å; F197-F232 AromaticContact CE1-CE2 3.84Å; F197-F232 HydrophobicContact CE1-CE2 3.84Å; F197-F232 AromaticContact CE1-CG 3.57Å; F197-F232 HydrophobicContact CE1-CG 3.57Å; F197-F232 HydrophobicContact CG-CD2 4.32Å; F197-F232 HydrophobicContact CZ-CB 3.99Å; F197-F232 HydrophobicContact CZ-CD2 4.22Å; F197-F232 HydrophobicContact CZ-CG 4.27Å; F197-F242 HydrophobicContact CE1-CD1 4.23Å; F197-F242 AromaticContact CE1-CE1 3.74Å; F197-F242 HydrophobicContact CE1-CE1 3.74Å; F197-F242 HydrophobicContact CZ-CD1 4.06Å; F197-F242 AromaticContact CZ-CE1 3.91Å; F197-F242 HydrophobicContact CZ-CE1 3.91Å; F197-F315 AromaticContact CE2-CD1 3.58Å; F197-F315 HydrophobicContact CE2-CD1 3.58Å; F197-F315 AromaticContact CE2-CE1 3.61Å; F197-F315 HydrophobicContact CE2-CE1 3.61Å; F197-F315 HydrophobicContact CE2-CG 4.05Å; F197-F315 HydrophobicContact CE2-CZ 4.12Å; F197-F315 HydrophobicContact CZ-CD1 4.03Å; F197-F315 AromaticContact CZ-CE1 3.58Å; F197-F315 HydrophobicContact CZ-CE1 3.58Å; F197-F315 HydrophobicContact CZ-CE2 4.22Å; F197-F315 AromaticContact CZ-CZ 3.69Å; F197-F315 HydrophobicContact CZ-CZ 3.69Å; F197-T316 WeakPolarHBondContact O-CA 3.48Å; F197-T316 WeakPolarHBondContact O-CG2 3.34Å; F197-G317 WeakPolarHBondContact CD1-O 3.29Å; F197-G317 PolarHBondContact N-O 3.44Å; F197-G317 PolarHBondContact O-N 3.28Å
198S98.1Very high85.1Confident25 Ų2564.3 Ų64.318%0.17536%0.362CS..EExtended strand (participates in β ladder)trans-143.6124.7168.3-172.10000107.7L218 M219 T316S198-L218 WeakPolarHBondContact O-CA 3.41Å; S198-L218 VanDerWaalsContact O-CB 3.29Å; S198-L218 WeakPolarHBondContact O-CB 3.38Å; S198-L218 PolarHBondContact O-N 2.77Å; S198-M219 PolarHBondContact N-O 2.84Å; S198-M219 PolarHBondContact O-N 3.38Å; S198-T316 PolarHBondContact OG-OG1 2.82Å
199V98.2Very high86.7Confident0 Ų068.1 Ų68.10%036%0.364CS..EExtended strand (participates in β ladder)trans-139.2152.5-170.3-64.50000110.7F197 F214 K216 I217 Y225 L314 F315F197-V199 HydrophobicContact CD2-CG1 4.25Å; F197-V199 HydrophobicContact CD2-CG2 4.02Å; F197-V199 HydrophobicContact CE2-CG2 4.2Å; V199-F214 HydrophobicContact CB-CB 3.62Å; V199-F214 HydrophobicContact CB-CG 4.45Å; V199-F214 HydrophobicContact CG2-CB 3.33Å; V199-F214 HydrophobicContact CG2-CD1 4.14Å; V199-F214 HydrophobicContact CG2-CD2 4.39Å; V199-F214 HydrophobicContact CG2-CG 3.73Å; V199-K216 CarbonylContact C-O 3.49Å; V199-K216 WeakPolarHBondContact CA-O 3.49Å; V199-I217 HydrophobicContact CG1-CG1 4.37Å; V199-Y225 HydrophobicContact CB-CE1 4.14Å; V199-Y225 HydrophobicContact CG1-CD1 3.59Å; V199-Y225 HydrophobicContact CG1-CE1 3.67Å; V199-Y225 HydrophobicContact CG1-CG 4.18Å; V199-Y225 HydrophobicContact CG2-CD1 4.43Å; V199-Y225 HydrophobicContact CG2-CE1 3.94Å; V199-Y225 HydrophobicContact CG2-CE2 4.07Å; V199-L314 CarbonylContact O-C 3.58Å; V199-L314 WeakPolarHBondContact O-CA 3.39Å; V199-F315 HydrophobicContact CG2-CB 4.08Å; V199-F315 HydrophobicContact CG2-CD1 4.35Å; V199-F315 VanDerWaalsContact CG2-O 3.29Å; V199-F315 WeakPolarHBondContact CG2-O 3.41Å; V199-F315 PolarHBondContact N-O 2.9Å; V199-F315 PolarHBondContact O-N 3.27Å
200A97.2Very high88.5Confident0 Ų069.6 Ų69.60%036%0.358CS..EExtended strand (participates in β ladder)trans-126.5152.4-179.200000110.7F214 D215 K216 S313 L314A200-F214 CarbonylContact O-C 3.46Å; A200-F214 WeakPolarHBondContact O-CA 3.4Å; A200-D215 PolarHBondContact O-N 3Å; A200-K216 HydrophobicContact CB-CB 4.06Å; A200-K216 HydrophobicContact CB-CD 3.99Å; A200-K216 HydrophobicContact CB-CG 4.12Å; A200-K216 PolarHBondContact N-O 2.77Å; A200-K216 WeakPolarHBondContact O-CB 3.24Å; A200-K216 PolarHBondContact O-N 3.14Å; A200-S313 WeakPolarHBondContact CA-O 3.19Å; A200-L314 HydrophobicContact CB-CD2 3.57Å
201V96.5Very high90.4Very high3 Ų364.5 Ų64.52%0.01832%0.321CS..  trans-80.7151.3168.9-62.10000110.6I212 F214 L304 Y306 S313V201-I212 HydrophobicContact CG1-CG2 3.98Å; V201-F214 HydrophobicContact CB-CD1 4.49Å; V201-F214 HydrophobicContact CG1-CD1 3.48Å; V201-F214 VanDerWaalsContact CG1-CD1 3.48Å; V201-F214 HydrophobicContact CG1-CE1 3.59Å; V201-F214 HydrophobicContact CG1-CG 3.97Å; V201-F214 HydrophobicContact CG1-CZ 4.16Å; V201-L304 HydrophobicContact CG1-CD2 4.4Å; V201-L304 HydrophobicContact CG2-CD2 3.97Å; V201-Y306 HydrophobicContact CG2-CD2 4.44Å; V201-Y306 HydrophobicContact CG2-CG 4.46Å; V201-Y306 WeakPolarHBondContact O-CD2 3.48Å; V201-Y306 WeakPolarHBondContact O-CE2 3.49Å; V201-S313 PolarHBondContact N-O 3.44Å; V201-S313 VanDerWaalsContact N-O 3.15Å
202T95.1Very high92.3Very high41 Ų4161.7 Ų61.725%0.25229%0.292SS..SBendtrans-115.26.9168.472.90000113.6D215 K216 Y306T202-D215 WeakPolarHBondContact CB-OD2 3.21Å; T202-D215 WeakPolarHBondContact CG2-OD1 3.25Å; T202-D215 WeakPolarHBondContact CG2-OD2 3.04Å; T202-D215 PolarHBondContact N-OD1 2.97Å; T202-D215 PolarHBondContact OG1-OD1 3.43Å; T202-D215 VanDerWaalsContact OG1-OD1 3.09Å; T202-D215 PolarHBondContact OG1-OD2 2.88Å; T202-K216 HydrophobicContact CG2-CB 3.7Å; T202-K216 HydrophobicContact CG2-CD 4.46Å; T202-Y306 VanDerWaalsContact CA-CE1 3.45Å; T202-Y306 WeakPolarHBondContact O-CD1 3.46Å; T202-Y306 WeakPolarHBondContact O-CE1 3.23Å
203K93.3Very high93.9Very high154 Ų15461.6 Ų61.667%0.6729%0.29SS*.SBendtrans-138.9130.9-176.7-63.2-179.3-174.9175.10110.7
204S93.8Very high94.9Very high37 Ų3757.8 Ų57.826%0.25927%0.267SS..SBendtrans-70.1154.8168.8-54.80000110.6F305 Y306S204-F305 WeakPolarHBondContact OG-CD2 3.41Å; S204-Y306 PolarHBondContact OG-N 2.83Å; S204-Y306 PolarHBondContact OG-O 3.07Å; S204-Y306 VanDerWaalsContact OG-O 3.04Å
205Y93.5Very high95.3Very high79 Ų7954.7 Ų54.731%0.3126%0.257SS..SBendtrans5657.2170.6-47.4-53.9000114.7A249 N250 N302 L304Y205-A249 PolarHBondContact OH-O 3.01Å; Y205-N250 PolarHBondContact OH-ND2 2.87Å; Y205-N302 VanDerWaalsContact C-ND2 3.25Å; Y205-N302 WeakPolarHBondContact CA-ND2 3.14Å; Y205-N302 WeakPolarHBondContact CA-OD1 3.31Å; Y205-N302 WeakPolarHBondContact CD1-O 3.36Å; Y205-N302 WeakPolarHBondContact CE1-O 3.49Å; Y205-L304 PolarHBondContact N-O 3.23Å
206P93.4Very high95.3Very high26 Ų2657.9 Ų57.917%0.16927%0.27CS..PPolyproline II helixtrans-60.9160.3176.128.2-36.4000111.7E208 I212 I296 N302 L304P206-E208 PolarHBondContact O-N 2.85Å; P206-I212 HydrophobicContact CB-CG1 4.43Å; P206-I212 HydrophobicContact CB-CG2 4.24Å; P206-I212 HydrophobicContact CG-CG1 4.03Å; P206-I212 HydrophobicContact CG-CG2 4.04Å; P206-I296 HydrophobicContact CG-CD1 3.91Å; P206-N302 WeakPolarHBondContact CD-OD1 3.43Å; P206-N302 PolarHBondContact O-ND2 2.56Å; P206-L304 HydrophobicContact CG-CD1 4.26Å; P206-L304 HydrophobicContact CG-CD2 4.32Å
207R92.3Very high95.3Very high204 Ų20460.9 Ų60.977%0.7728%0.282SS*.PPolyproline II helixtrans-61.3131.7-178.9-67.5-174.9177.7-176.5-1.2111.5L210R207-L210 HydrophobicContact CB-CD1 4.04Å
208E92.3Very high95.2Very high58 Ų5865 Ų6527%0.27130%0.304SS..THydrogen-bonded Turntrans-68.7155.1178.2-61.2168.5-17000111.4P206 L210 I296 S299 E300 N302P206-E208 PolarHBondContact O-N 2.85Å; E208-L210 PolarHBondContact O-N 2.89Å; E208-I296 HydrophobicContact CB-CG2 4.46Å; E208-I296 HydrophobicContact CG-CG2 4.08Å; E208-S299 WeakPolarHBondContact OE2-CA 3.32Å; E208-E300 PolarHBondContact OE1-N 2.84Å; E208-E300 PolarHBondContact OE2-N 3.1Å; E208-N302 HydrophobicContact CG-CB 3.99Å; E208-N302 WeakPolarHBondContact OE1-CB 3.4Å
209R90.9Very high95.1Very high170 Ų17068.4 Ų68.464%0.64232%0.318SS*.THydrogen-bonded Turntrans58.713.4179.9-53.2-173.6179.5-149.6-1.6115.7I296 S299R209-I296 WeakPolarHBondContact CA-O 3.22Å; R209-I296 PolarHBondContact N-O 2.82Å; R209-S299 PolarHBondContact NH2-OG 2.9Å; R209-S299 VanDerWaalsContact NH2-OG 3.14Å
210L94Very high94.9Very high87 Ų8770.6 Ų70.646%0.45533%0.329SS..SBendtrans-123.5156.5174.4-66.6175.9000109.8R207 E208 I212 Q295R207-L210 HydrophobicContact CB-CD1 4.04Å; E208-L210 PolarHBondContact O-N 2.89Å; L210-I212 PolarHBondContact O-N 2.67Å; L210-Q295 VanDerWaalsContact O-CB 3.31Å; L210-Q295 WeakPolarHBondContact O-CB 3.24Å
211P96.8Very high94.7Very high35 Ų3574.6 Ų74.623%0.22735%0.348CS..BIsolated β-bridgetrans-55130.2170.8-24.133.7000111.3K213 S229 K231 W293P211-K213 PolarHBondContact O-N 3.28Å; P211-S229 WeakPolarHBondContact CB-O 3.38Å; P211-K231 HydrophobicContact CB-CG 4.45Å; P211-W293 HydrophobicContact CB-CB 4.47Å; P211-W293 HydrophobicContact CB-CG 4.12Å; P211-W293 HydrophobicContact CG-CG 4.32Å
212I97Very high94.4Very high2 Ų276.6 Ų76.61%0.0137%0.37CS..  trans-71.4127.7174.3-61.2164000107.7V201 P206 L210 F214 G230 I255 L294 I296 L304V201-I212 HydrophobicContact CG1-CG2 3.98Å; P206-I212 HydrophobicContact CB-CG1 4.43Å; P206-I212 HydrophobicContact CB-CG2 4.24Å; P206-I212 HydrophobicContact CG-CG1 4.03Å; P206-I212 HydrophobicContact CG-CG2 4.04Å; L210-I212 PolarHBondContact O-N 2.67Å; I212-F214 HydrophobicContact CB-CD2 4.48Å; I212-F214 HydrophobicContact CB-CE2 3.87Å; I212-F214 HydrophobicContact CG2-CD2 4.08Å; I212-F214 HydrophobicContact CG2-CE2 3.61Å; I212-F214 HydrophobicContact CG2-CZ 3.97Å; I212-F214 WeakPolarHBondContact O-CD2 3.32Å; I212-G230 WeakPolarHBondContact O-CA 3.49Å; I212-I255 HydrophobicContact CD1-CD1 3.67Å; I212-I255 HydrophobicContact CD1-CG1 4.07Å; I212-L294 HydrophobicContact CD1-CB 4.14Å; I212-L294 PolarHBondContact N-O 3.11Å; I212-I296 HydrophobicContact CD1-CD1 4.48Å; I212-I296 HydrophobicContact CD1-CG1 4.16Å; I212-L304 HydrophobicContact CD1-CD1 4.1Å; I212-L304 HydrophobicContact CG2-CD1 4.36Å
213K96.8Very high94.3Very high125 Ų12577.1 Ų77.154%0.54338%0.383SS..  trans-91.1112.6178.7-57.2-172.1-176.3-159.50109.2P211 S228P211-K213 PolarHBondContact O-N 3.28Å; K213-S228 WeakPolarHBondContact CD-O 3.28Å; K213-S228 WeakPolarHBondContact CE-O 3.37Å; K213-S228 PolarHBondContact NZ-O 2.87Å
214F96.9Very high94.5Very high0 Ų071.7 Ų71.70%036%0.36CS..  trans-93.7102.5170-60.7-106.8000107.2V199 A200 V201 I212 Y225 I246 L294 F315V199-F214 HydrophobicContact CB-CB 3.62Å; V199-F214 HydrophobicContact CB-CG 4.45Å; V199-F214 HydrophobicContact CG2-CB 3.33Å; V199-F214 HydrophobicContact CG2-CD1 4.14Å; V199-F214 HydrophobicContact CG2-CD2 4.39Å; V199-F214 HydrophobicContact CG2-CG 3.73Å; A200-F214 CarbonylContact O-C 3.46Å; A200-F214 WeakPolarHBondContact O-CA 3.4Å; V201-F214 HydrophobicContact CB-CD1 4.49Å; V201-F214 HydrophobicContact CG1-CD1 3.48Å; V201-F214 VanDerWaalsContact CG1-CD1 3.48Å; V201-F214 HydrophobicContact CG1-CE1 3.59Å; V201-F214 HydrophobicContact CG1-CG 3.97Å; V201-F214 HydrophobicContact CG1-CZ 4.16Å; I212-F214 HydrophobicContact CB-CD2 4.48Å; I212-F214 HydrophobicContact CB-CE2 3.87Å; I212-F214 HydrophobicContact CG2-CD2 4.08Å; I212-F214 HydrophobicContact CG2-CE2 3.61Å; I212-F214 HydrophobicContact CG2-CZ 3.97Å; I212-F214 WeakPolarHBondContact O-CD2 3.32Å; F214-Y225 WeakPolarHBondContact CB-OH 3.37Å; F214-Y225 WeakPolarHBondContact CD2-OH 3.49Å; F214-Y225 PolarHBondContact N-OH 3.35Å; F214-Y225 WeakPolarHBondContact O-CE1 3.24Å; F214-I246 HydrophobicContact CE1-CD1 4.39Å; F214-I246 HydrophobicContact CZ-CD1 4.36Å; F214-L294 HydrophobicContact CE2-CB 4.24Å; F214-L294 HydrophobicContact CE2-CD1 3.96Å; F214-L294 HydrophobicContact CZ-CD1 3.63Å; F214-F315 HydrophobicContact CD1-CB 3.95Å; F214-F315 HydrophobicContact CD2-CB 4.24Å; F214-F315 HydrophobicContact CD2-CD1 4.34Å; F214-F315 HydrophobicContact CE1-CB 3.62Å; F214-F315 HydrophobicContact CE2-CB 3.93Å; F214-F315 HydrophobicContact CE2-CD1 4.21Å; F214-F315 HydrophobicContact CE2-CG 4.4Å; F214-F315 HydrophobicContact CG-CB 4.28Å; F214-F315 HydrophobicContact CZ-CB 3.63Å; F214-F315 HydrophobicContact CZ-CG 4.45Å
215D95Very high94.7Very high71 Ų7170.2 Ų70.238%0.3835%0.349SS..  trans-93.5-20-169.159.4-43.9000113.5A200 T202 I217A200-D215 PolarHBondContact O-N 3Å; T202-D215 WeakPolarHBondContact CB-OD2 3.21Å; T202-D215 WeakPolarHBondContact CG2-OD1 3.25Å; T202-D215 WeakPolarHBondContact CG2-OD2 3.04Å; T202-D215 PolarHBondContact N-OD1 2.97Å; T202-D215 PolarHBondContact OG1-OD1 3.43Å; T202-D215 VanDerWaalsContact OG1-OD1 3.09Å; T202-D215 PolarHBondContact OG1-OD2 2.88Å; D215-I217 PolarHBondContact O-N 2.66Å
216K95.4Very high94.8Very high72 Ų7270.1 Ų70.131%0.31335%0.354SS..EExtended strand (participates in β ladder)trans-88.3103.3173.6174.1177.5166.3-160.80109.4V199 A200 T202 L218 D312V199-K216 CarbonylContact C-O 3.49Å; V199-K216 WeakPolarHBondContact CA-O 3.49Å; A200-K216 HydrophobicContact CB-CB 4.06Å; A200-K216 HydrophobicContact CB-CD 3.99Å; A200-K216 HydrophobicContact CB-CG 4.12Å; A200-K216 PolarHBondContact N-O 2.77Å; A200-K216 WeakPolarHBondContact O-CB 3.24Å; A200-K216 PolarHBondContact O-N 3.14Å; T202-K216 HydrophobicContact CG2-CB 3.7Å; T202-K216 HydrophobicContact CG2-CD 4.46Å; K216-L218 HydrophobicContact CG-CD2 4.19Å; K216-D312 IonicContact NZ-OD1 3.87Å; K216-D312 PolarHBondContact NZ-OD1 3Å; K216-D312 IonicContact NZ-OD2 2.91Å; K216-D312 PolarHBondContact NZ-OD2 2.83Å
217I96.4Very high95Very high86 Ų8670.1 Ų70.144%0.44136%0.356SS..EExtended strand (participates in β ladder)trans-81.8117.5177.4-57.9175.4000109.5V199 D215 N220 A227V199-I217 HydrophobicContact CG1-CG1 4.37Å; D215-I217 PolarHBondContact O-N 2.66Å; I217-N220 HydrophobicContact CG2-CB 3.79Å; I217-A227 HydrophobicContact CD1-CB 4.24Å; I217-A227 HydrophobicContact CG1-CB 4.41Å
218L96.1Very high95.1Very high91 Ų9164.8 Ų64.848%0.47635%0.35SS..EExtended strand (participates in β ladder)trans-88.6-40.7171.9-52.2178.1000110.5S198 K216 L314S198-L218 WeakPolarHBondContact O-CA 3.41Å; S198-L218 VanDerWaalsContact O-CB 3.29Å; S198-L218 WeakPolarHBondContact O-CB 3.38Å; S198-L218 PolarHBondContact O-N 2.77Å; K216-L218 HydrophobicContact CG-CD2 4.19Å; L218-L314 HydrophobicContact CD1-CD2 3.81Å
219M95.8Very high95.3Very high96 Ų9663.9 Ų63.947%0.47335%0.35SS..EExtended strand (participates in β ladder)trans-154.3143.4176.6-177.5175.8176.600109.6A196 F197 S198 E221A196-M219 HydrophobicContact CB-CE 4.36Å; F197-M219 CarbonylContact C-O 3.45Å; F197-M219 VanDerWaalsContact CA-O 3.24Å; F197-M219 WeakPolarHBondContact CA-O 3.31Å; S198-M219 PolarHBondContact N-O 2.84Å; S198-M219 PolarHBondContact O-N 3.38Å; M219-E221 HydrophobicContact CE-CB 3.7Å; M219-E221 HydrophobicContact CE-CG 4.45Å
220N95.4Very high95.5Very high45 Ų4555.8 Ų55.824%0.24132%0.32CS..EExtended strand (participates in β ladder)trans-151.362.9174.9-168.817.1000110.6A196 I217 G222 G223 H224 Y225A196-N220 CarbonylContact O-C 3.52Å; I217-N220 HydrophobicContact CG2-CB 3.79Å; N220-G222 PolarHBondContact O-N 2.71Å; N220-G223 PolarHBondContact O-N 2.87Å; N220-G223 VanDerWaalsContact O-N 3.14Å; N220-H224 PolarHBondContact OD1-N 2.76Å; N220-Y225 PolarHBondContact ND2-O 3.34Å; N220-Y225 WeakPolarHBondContact OD1-CB 3.31Å; N220-Y225 PolarHBondContact OD1-N 2.88Å; N220-Y225 VanDerWaalsContact OD1-N 3.1Å
221E92.8Very high95.7Very high84 Ų8453.7 Ų53.739%0.39331%0.307SS..EExtended strand (participates in β ladder)trans-68.1125.6177.5-173.576.4171.300110K194 A196 M219 G223K194-E221 HydrophobicContact CB-CG 3.8Å; K194-E221 HydrophobicContact CD-CG 4.19Å; K194-E221 WeakPolarHBondContact CD-OE1 3.34Å; K194-E221 IonicContact NZ-OE1 2.66Å; A196-E221 HydrophobicContact CB-CB 4.43Å; A196-E221 PolarHBondContact N-O 3.42Å; A196-E221 PolarHBondContact O-N 2.88Å; M219-E221 HydrophobicContact CE-CB 3.7Å; M219-E221 HydrophobicContact CE-CG 4.45Å; E221-G223 VanDerWaalsContact C-N 3.3Å
222G88.9Confident95.8Very high46 Ų4652 Ų5247%0.47430%0.296SS..THydrogen-bonded Turntrans87.6-9.8-172.800000114.1N220 H224N220-G222 PolarHBondContact O-N 2.71Å; G222-H224 PolarHBondContact O-CD2 3.22Å; G222-H224 PolarHBondContact O-N 3.28Å; G222-H224 PolarHBondContact O-NE2 2.92Å
223G93.9Very high95.8Very high52 Ų5254.6 Ų54.654%0.53631%0.312SS..SBendtrans65.720.5175.500000114.4N220 E221N220-G223 PolarHBondContact O-N 2.87Å; N220-G223 VanDerWaalsContact O-N 3.14Å; E221-G223 VanDerWaalsContact C-N 3.3Å
224H96.3Very high95.8Very high39 Ų3948.8 Ų48.818%0.18129%0.287CS..  trans-81.2-14.7-174-63.2149.1000113.7S195 N220 G222 F232 V233S195-H224 VanDerWaalsContact CB-ND1 3.34Å; S195-H224 WeakPolarHBondContact CB-ND1 3.5Å; S195-H224 PolarHBondContact OG-ND1 2.75Å; N220-H224 PolarHBondContact OD1-N 2.76Å; G222-H224 PolarHBondContact O-CD2 3.22Å; G222-H224 PolarHBondContact O-N 3.28Å; G222-H224 PolarHBondContact O-NE2 2.92Å; H224-F232 HydrophobicContact CB-CD2 3.9Å; H224-F232 HydrophobicContact CB-CE2 3.4Å; H224-F232 VanDerWaalsContact CB-CE2 3.4Å; H224-F232 HydrophobicContact CB-CZ 4.09Å; H224-V233 WeakPolarHBondContact CB-O 3.36Å; H224-V233 PolarHBondContact O-N 3.33Å
225Y98.1Very high95.6Very high6 Ų650 Ų502%0.02430%0.299CS..EExtended strand (participates in β ladder)trans-93.1131.5171-174.2-94.1000111.8F197 V199 F214 N220 A227 G230 F232 F315F197-Y225 HydrophobicContact CB-CG 4.44Å; F197-Y225 AromaticContact CD2-CD2 3.61Å; F197-Y225 HydrophobicContact CD2-CD2 3.61Å; F197-Y225 HydrophobicContact CD2-CE2 4.32Å; F197-Y225 AromaticContact CD2-CG 3.86Å; F197-Y225 HydrophobicContact CD2-CG 3.86Å; F197-Y225 AromaticContact CE2-CD2 3.68Å; F197-Y225 HydrophobicContact CE2-CD2 3.68Å; F197-Y225 HydrophobicContact CE2-CE2 4.11Å; F197-Y225 HydrophobicContact CE2-CG 4.38Å; F197-Y225 HydrophobicContact CG-CD2 4.15Å; F197-Y225 HydrophobicContact CG-CG 4.15Å; F197-Y225 HydrophobicContact CZ-CD2 4.25Å; V199-Y225 HydrophobicContact CB-CE1 4.14Å; V199-Y225 HydrophobicContact CG1-CD1 3.59Å; V199-Y225 HydrophobicContact CG1-CE1 3.67Å; V199-Y225 HydrophobicContact CG1-CG 4.18Å; V199-Y225 HydrophobicContact CG2-CD1 4.43Å; V199-Y225 HydrophobicContact CG2-CE1 3.94Å; V199-Y225 HydrophobicContact CG2-CE2 4.07Å; F214-Y225 WeakPolarHBondContact CB-OH 3.37Å; F214-Y225 WeakPolarHBondContact CD2-OH 3.49Å; F214-Y225 PolarHBondContact N-OH 3.35Å; F214-Y225 WeakPolarHBondContact O-CE1 3.24Å; N220-Y225 PolarHBondContact ND2-O 3.34Å; N220-Y225 WeakPolarHBondContact OD1-CB 3.31Å; N220-Y225 PolarHBondContact OD1-N 2.88Å; N220-Y225 VanDerWaalsContact OD1-N 3.1Å; Y225-A227 HydrophobicContact CE1-CB 4.22Å; Y225-G230 WeakPolarHBondContact OH-CA 3.29Å; Y225-G230 PolarHBondContact OH-O 2.78Å; Y225-F232 HydrophobicContact CD2-CB 4.2Å; Y225-F315 HydrophobicContact CE2-CD1 4.21Å; Y225-F315 HydrophobicContact CE2-CE1 4.29Å
226N97.2Very high95.5Very high77 Ų7747.2 Ų47.241%0.41229%0.285SS..EExtended strand (participates in β ladder)trans-110.2107.1176-176.5-17.1000111.1S228 S229 G230 K231N226-S228 PolarHBondContact O-N 3.44Å; N226-S228 VanDerWaalsContact OD1-CB 3.31Å; N226-S228 WeakPolarHBondContact OD1-CB 3.41Å; N226-S228 PolarHBondContact OD1-N 3.02Å; N226-S229 WeakPolarHBondContact CB-OG 3.45Å; N226-S229 PolarHBondContact O-N 2.83Å; N226-S229 PolarHBondContact O-OG 2.96Å; N226-S229 PolarHBondContact OD1-N 2.88Å; N226-G230 PolarHBondContact O-N 3.02Å; N226-K231 PolarHBondContact N-O 3.2Å; N226-K231 PolarHBondContact O-N 3.39Å
227A95.8Very high95.5Very high26 Ų2645.6 Ų45.622%0.21528%0.282CS..THydrogen-bonded Turntrans-63.9-25.7179.400000113.9I217 Y225I217-A227 HydrophobicContact CD1-CB 4.24Å; I217-A227 HydrophobicContact CG1-CB 4.41Å; Y225-A227 HydrophobicContact CE1-CB 4.22Å
228S95.1Very high95.4Very high92 Ų9241.5 Ų41.564%0.64326%0.261SS*.THydrogen-bonded Turntrans-73.3-34179.5-610000112.2K213 N226K213-S228 WeakPolarHBondContact CD-O 3.28Å; K213-S228 WeakPolarHBondContact CE-O 3.37Å; K213-S228 PolarHBondContact NZ-O 2.87Å; N226-S228 PolarHBondContact O-N 3.44Å; N226-S228 VanDerWaalsContact OD1-CB 3.31Å; N226-S228 WeakPolarHBondContact OD1-CB 3.41Å; N226-S228 PolarHBondContact OD1-N 3.02Å
229S95.8Very high95.4Very high40 Ų4039.6 Ų39.628%0.2825%0.251SS..THydrogen-bonded Turntrans-95.3-23.8178.266.50000113.2P211 N226 K231P211-S229 WeakPolarHBondContact CB-O 3.38Å; N226-S229 WeakPolarHBondContact CB-OG 3.45Å; N226-S229 PolarHBondContact O-N 2.83Å; N226-S229 PolarHBondContact O-OG 2.96Å; N226-S229 PolarHBondContact OD1-N 2.88Å; S229-K231 VanDerWaalsContact C-N 3.3Å; S229-K231 PolarHBondContact OG-N 3.31Å
230G96.4Very high95.5Very high0 Ų035 Ų350%023%0.228CC..THydrogen-bonded Turntrans80.79.8-172.800000113.8I212 Y225 N226I212-G230 WeakPolarHBondContact O-CA 3.49Å; Y225-G230 WeakPolarHBondContact OH-CA 3.29Å; Y225-G230 PolarHBondContact OH-O 2.78Å; N226-G230 PolarHBondContact O-N 3.02Å
231K97.9Very high95.6Very high42 Ų4236.1 Ų36.118%0.18323%0.229CC..EExtended strand (participates in β ladder)trans-111.9143.4-172.2-55.7-172.6174.6-178.30112.2P211 N226 S229 E291 W293P211-K231 HydrophobicContact CB-CG 4.45Å; N226-K231 PolarHBondContact N-O 3.2Å; N226-K231 PolarHBondContact O-N 3.39Å; S229-K231 VanDerWaalsContact C-N 3.3Å; S229-K231 PolarHBondContact OG-N 3.31Å; K231-E291 IonicContact NZ-OE1 3.96Å; K231-E291 IonicContact NZ-OE2 3.96Å; K231-E291 PolarHBondContact NZ-OE2 3.27Å; K231-W293 HydrophobicContact CB-CB 4.34Å; K231-W293 HydrophobicContact CD-CD2 4.46Å; K231-W293 HydrophobicContact CD-CE3 4.16Å; K231-W293 HydrophobicContact CG-CB 3.95Å; K231-W293 HydrophobicContact CG-CD2 4.38Å; K231-W293 HydrophobicContact CG-CE3 4.38Å; K231-W293 HydrophobicContact CG-CG 4.24Å
232F98.4Very high95.9Very high0 Ų032.1 Ų32.10%021%0.211CC..EExtended strand (participates in β ladder)trans-87.6131.8160.1174.5-97.6000109.2F197 H224 Y225 C234 Y240 F242 L286 E291 V292F197-F232 HydrophobicContact CD1-CB 4.48Å; F197-F232 AromaticContact CD1-CD2 3.28Å; F197-F232 HydrophobicContact CD1-CD2 3.28Å; F197-F232 AromaticContact CD1-CE2 3.71Å; F197-F232 HydrophobicContact CD1-CE2 3.71Å; F197-F232 HydrophobicContact CD1-CG 4.11Å; F197-F232 HydrophobicContact CE1-CB 3.79Å; F197-F232 HydrophobicContact CE1-CD1 4.47Å; F197-F232 AromaticContact CE1-CD2 3.22Å; F197-F232 HydrophobicContact CE1-CD2 3.22Å; F197-F232 AromaticContact CE1-CE2 3.84Å; F197-F232 HydrophobicContact CE1-CE2 3.84Å; F197-F232 AromaticContact CE1-CG 3.57Å; F197-F232 HydrophobicContact CE1-CG 3.57Å; F197-F232 HydrophobicContact CG-CD2 4.32Å; F197-F232 HydrophobicContact CZ-CB 3.99Å; F197-F232 HydrophobicContact CZ-CD2 4.22Å; F197-F232 HydrophobicContact CZ-CG 4.27Å; H224-F232 HydrophobicContact CB-CD2 3.9Å; H224-F232 HydrophobicContact CB-CE2 3.4Å; H224-F232 VanDerWaalsContact CB-CE2 3.4Å; H224-F232 HydrophobicContact CB-CZ 4.09Å; Y225-F232 HydrophobicContact CD2-CB 4.2Å; F232-C234 HydrophobicContact CE1-CB 4.13Å; F232-Y240 HydrophobicContact CE1-CD1 4.3Å; F232-Y240 HydrophobicContact CE1-CE1 4.06Å; F232-Y240 HydrophobicContact CE2-CE1 4.46Å; F232-Y240 HydrophobicContact CZ-CD1 4.05Å; F232-Y240 AromaticContact CZ-CE1 3.5Å; F232-Y240 HydrophobicContact CZ-CE1 3.5Å; F232-F242 AromaticContact CD1-CE1 3.97Å; F232-F242 HydrophobicContact CD1-CE1 3.97Å; F232-F242 AromaticContact CD1-CZ 3.8Å; F232-F242 HydrophobicContact CD1-CZ 3.8Å; F232-F242 HydrophobicContact CE1-CE1 4.41Å; F232-F242 AromaticContact CE1-CZ 3.95Å; F232-F242 HydrophobicContact CE1-CZ 3.95Å; F232-F242 HydrophobicContact CG-CE1 4.22Å; F232-L286 HydrophobicContact CD1-CD1 4.31Å; F232-L286 HydrophobicContact CE1-CD1 3.79Å; F232-E291 CarbonylContact O-C 3.59Å; F232-E291 WeakPolarHBondContact O-CA 3.13Å; F232-V292 HydrophobicContact CB-CB 4.48Å; F232-V292 WeakPolarHBondContact CB-O 3.44Å; F232-V292 HydrophobicContact CD1-CB 4.31Å; F232-V292 PolarHBondContact N-O 3.42Å; F232-V292 PolarHBondContact O-N 3.37Å
233V97.8Very high96.3Very high57 Ų5731.1 Ų31.135%0.34520%0.196SC..EExtended strand (participates in β ladder)trans-116.1119.2175.1-175.70000108H224 G235 E291H224-V233 WeakPolarHBondContact CB-O 3.36Å; H224-V233 PolarHBondContact O-N 3.33Å; V233-G235 PolarHBondContact O-N 2.81Å; V233-G235 VanDerWaalsContact O-N 3.1Å; V233-E291 HydrophobicContact CG2-CG 4.39Å
234C96.3Very high96.5Very high2 Ų228.7 Ų28.71%0.01417%0.17CC..  trans-65.6110.3-176.6-174.80000111.1F232 V236 L286 K287 G289 D290F232-C234 HydrophobicContact CE1-CB 4.13Å; C234-V236 PolarHBondContact SG-O 3Å; C234-L286 HydrophobicContact CB-CB 4.06Å; C234-L286 HydrophobicContact CB-CD1 4.16Å; C234-K287 VanDerWaalsContact CB-O 3.24Å; C234-K287 WeakPolarHBondContact CB-O 3.43Å; C234-K287 PolarHBondContact SG-O 2.86Å; C234-G289 PolarHBondContact O-N 2.81Å; C234-D290 HydrophobicContact CB-CB 4.23Å; C234-D290 WeakPolarHBondContact CB-O 3.32Å; C234-D290 PolarHBondContact N-O 2.83Å
235G92.6Very high96.5Very high25 Ų2529.8 Ų29.826%0.25818%0.177SC..SBendtrans-87.7-23.5172.300000113.9V233 Q288V233-G235 PolarHBondContact O-N 2.81Å; V233-G235 VanDerWaalsContact O-N 3.1Å; G235-Q288 PolarHBondContact O-NE2 2.68Å
236V93.3Very high96.5Very high14 Ų1429.5 Ų29.59%0.08518%0.176CC..SBendtrans-128.3113.4-172.7-179.20000108.5T193 C234 Y240 L319 A322T193-V236 HydrophobicContact CG2-CG1 4.26Å; T193-V236 HydrophobicContact CG2-CG2 4.06Å; T193-V236 WeakPolarHBondContact OG1-CG1 3.32Å; C234-V236 PolarHBondContact SG-O 3Å; V236-Y240 VanDerWaalsContact O-CE2 3.22Å; V236-Y240 WeakPolarHBondContact O-CE2 3.5Å; V236-Y240 PolarHBondContact O-OH 3.45Å; V236-L319 HydrophobicContact CB-CD2 4.32Å; V236-L319 HydrophobicContact CG1-CD2 3.72Å; V236-A322 HydrophobicContact CG1-CB 4.31Å
237P94.4Very high96.4Very high37 Ų3726.4 Ų26.424%0.2416%0.16CC..  trans-64.1144.6179.928.1-34000111.3L286 D323P237-L286 VanDerWaalsContact CA-O 3.32Å; P237-L286 WeakPolarHBondContact CA-O 3.39Å; P237-D323 HydrophobicContact CB-CB 4.44Å; P237-D323 PolarHBondContact O-N 2.97Å
238G94.4Very high96.3Very high1 Ų125.2 Ų25.21%0.0115%0.15CC..EExtended strand (participates in β ladder)trans150.9-161.7178.700000114.3A285 L286 Y321G238-A285 WeakPolarHBondContact O-CA 3.37Å; G238-L286 PolarHBondContact N-O 2.87Å; G238-L286 PolarHBondContact O-N 3Å; G238-Y321 CarbonylContact C-O 3.53Å; G238-Y321 VanDerWaalsContact CA-O 3.24Å; G238-Y321 WeakPolarHBondContact CA-O 3.4Å
239I96.3Very high96.2Very high50 Ų5020.9 Ų20.926%0.25612%0.12SC..EExtended strand (participates in β ladder)trans-96.6121.4-177.4-53.5-56.3000110.2I283 A285 I320 Y321I239-I283 HydrophobicContact CG2-CG2 3.3Å; I239-A285 HydrophobicContact CD1-CB 3.59Å; I239-I320 HydrophobicContact CG2-CD1 4.28Å; I239-I320 WeakPolarHBondContact O-CB 3.32Å; I239-I320 PolarHBondContact O-N 2.9Å; I239-Y321 HydrophobicContact CB-CD2 4.38Å; I239-Y321 PolarHBondContact N-O 2.89Å; I239-Y321 PolarHBondContact O-N 3.32Å
240Y97.8Very high96Very high0 Ų024.9 Ų24.90%014%0.138CC..EExtended strand (participates in β ladder)trans-113.4143.5-179.1-76.3-98.1000111.8S195 F232 V236 F242 I283 L284 L286 F318 L319S195-Y240 WeakPolarHBondContact CB-OH 3.35Å; S195-Y240 VanDerWaalsContact OG-CE1 3.29Å; S195-Y240 WeakPolarHBondContact OG-CE1 3.45Å; S195-Y240 PolarHBondContact OG-OH 3.03Å; F232-Y240 HydrophobicContact CE1-CD1 4.3Å; F232-Y240 HydrophobicContact CE1-CE1 4.06Å; F232-Y240 HydrophobicContact CE2-CE1 4.46Å; F232-Y240 HydrophobicContact CZ-CD1 4.05Å; F232-Y240 AromaticContact CZ-CE1 3.5Å; F232-Y240 HydrophobicContact CZ-CE1 3.5Å; V236-Y240 VanDerWaalsContact O-CE2 3.22Å; V236-Y240 WeakPolarHBondContact O-CE2 3.5Å; V236-Y240 PolarHBondContact O-OH 3.45Å; Y240-F242 VanDerWaalsContact CB-CE2 3.42Å; Y240-F242 HydrophobicContact CD1-CZ 4.32Å; Y240-F242 HydrophobicContact CG-CE2 4.22Å; Y240-F242 HydrophobicContact CG-CZ 4.32Å; Y240-I283 CarbonylContact O-C 3.57Å; Y240-I283 VanDerWaalsContact O-CA 3.24Å; Y240-I283 WeakPolarHBondContact O-CA 3.15Å; Y240-L284 PolarHBondContact N-O 3.15Å; Y240-L284 PolarHBondContact O-N 3.46Å; Y240-L286 HydrophobicContact CD2-CB 3.91Å; Y240-L286 HydrophobicContact CD2-CD1 3.66Å; Y240-L286 HydrophobicContact CD2-CG 3.85Å; Y240-L286 HydrophobicContact CE2-CB 4.12Å; Y240-L286 HydrophobicContact CE2-CD1 4.14Å; Y240-L286 HydrophobicContact CE2-CG 4.46Å; Y240-L286 HydrophobicContact CG-CD1 3.86Å; Y240-L286 HydrophobicContact CG-CG 4.37Å; Y240-F318 WeakPolarHBondContact CA-O 3.47Å; Y240-L319 HydrophobicContact CD1-CB 4.19Å; Y240-L319 HydrophobicContact CD2-CD1 4Å; Y240-L319 HydrophobicContact CE1-CB 3.71Å; Y240-L319 HydrophobicContact CE1-CD1 4.18Å; Y240-L319 HydrophobicContact CE2-CD1 3.53Å
241Y98.4Very high95.7Very high68 Ų6829.4 Ų29.427%0.26716%0.158SC..EExtended strand (participates in β ladder)trans-100.8132165.2-178.5-104.2000109.3T243 S281 I283 G317 F318Y241-T243 HydrophobicContact CE1-CG2 3.91Å; Y241-S281 WeakPolarHBondContact OH-CB 3.33Å; Y241-S281 PolarHBondContact OH-OG 2.95Å; Y241-I283 HydrophobicContact CD2-CG1 3.91Å; Y241-G317 CarbonylContact O-C 3.59Å; Y241-G317 WeakPolarHBondContact O-CA 3.34Å; Y241-F318 HydrophobicContact CD1-CD1 4.36Å; Y241-F318 AromaticContact CD1-CE1 3.5Å; Y241-F318 HydrophobicContact CD1-CE1 3.5Å; Y241-F318 AromaticContact CD1-CZ 3.69Å; Y241-F318 HydrophobicContact CD1-CZ 3.69Å; Y241-F318 HydrophobicContact CE1-CE1 4.32Å; Y241-F318 HydrophobicContact CG-CE1 4.29Å; Y241-F318 HydrophobicContact CG-CZ 4.12Å; Y241-F318 PolarHBondContact N-O 3.36Å; Y241-F318 PolarHBondContact O-N 2.88Å
242F98.5Very high95.6Very high0 Ų031.9 Ų31.90%017%0.17CC..EExtended strand (participates in β ladder)trans-122.2138.2172.7-66.7-85.8000109.8F197 F232 Y240 L257 S281 T282 L284 L286 V292 F315 T316F197-F242 HydrophobicContact CE1-CD1 4.23Å; F197-F242 AromaticContact CE1-CE1 3.74Å; F197-F242 HydrophobicContact CE1-CE1 3.74Å; F197-F242 HydrophobicContact CZ-CD1 4.06Å; F197-F242 AromaticContact CZ-CE1 3.91Å; F197-F242 HydrophobicContact CZ-CE1 3.91Å; F232-F242 AromaticContact CD1-CE1 3.97Å; F232-F242 HydrophobicContact CD1-CE1 3.97Å; F232-F242 AromaticContact CD1-CZ 3.8Å; F232-F242 HydrophobicContact CD1-CZ 3.8Å; F232-F242 HydrophobicContact CE1-CE1 4.41Å; F232-F242 AromaticContact CE1-CZ 3.95Å; F232-F242 HydrophobicContact CE1-CZ 3.95Å; F232-F242 HydrophobicContact CG-CE1 4.22Å; Y240-F242 VanDerWaalsContact CB-CE2 3.42Å; Y240-F242 HydrophobicContact CD1-CZ 4.32Å; Y240-F242 HydrophobicContact CG-CE2 4.22Å; Y240-F242 HydrophobicContact CG-CZ 4.32Å; F242-L257 HydrophobicContact CB-CD1 3.68Å; F242-L257 HydrophobicContact CG-CD1 4.29Å; F242-S281 CarbonylContact O-C 2.96Å; F242-S281 WeakPolarHBondContact O-CA 3.28Å; F242-S281 WeakPolarHBondContact O-CB 3.21Å; F242-T282 PolarHBondContact N-O 3.39Å; F242-T282 PolarHBondContact O-N 2.97Å; F242-L284 HydrophobicContact CD2-CB 4.47Å; F242-L284 HydrophobicContact CD2-CD1 4.03Å; F242-L284 HydrophobicContact CD2-CG 4.33Å; F242-L284 HydrophobicContact CE2-CB 4.31Å; F242-L284 HydrophobicContact CE2-CD1 4.11Å; F242-L286 HydrophobicContact CE2-CD1 3.81Å; F242-L286 HydrophobicContact CZ-CD1 3.72Å; F242-V292 HydrophobicContact CD1-CG1 4.13Å; F242-V292 HydrophobicContact CD2-CG1 4.44Å; F242-V292 HydrophobicContact CE1-CB 4.1Å; F242-V292 HydrophobicContact CE1-CG1 3.9Å; F242-V292 HydrophobicContact CE2-CG1 4.25Å; F242-V292 HydrophobicContact CE2-CG2 4.14Å; F242-V292 HydrophobicContact CG-CG1 4.38Å; F242-V292 HydrophobicContact CZ-CB 3.97Å; F242-V292 HydrophobicContact CZ-CG1 3.99Å; F242-V292 HydrophobicContact CZ-CG2 3.89Å; F242-F315 HydrophobicContact CB-CE2 4.38Å; F242-F315 AromaticContact CD1-CE2 3.93Å; F242-F315 HydrophobicContact CD1-CE2 3.93Å; F242-F315 AromaticContact CD1-CZ 3.9Å; F242-F315 HydrophobicContact CD1-CZ 3.9Å; F242-F315 HydrophobicContact CE1-CZ 4.41Å; F242-T316 WeakPolarHBondContact CA-O 3.48Å
243T98.3Very high95.4Very high26 Ų2631.9 Ų31.916%0.1617%0.17CC..EExtended strand (participates in β ladder)trans-141.9150.8174-169.20000110.6Y241 G280 F315 T316Y241-T243 HydrophobicContact CE1-CG2 3.91Å; T243-G280 CarbonylContact C-O 3.5Å; T243-G280 WeakPolarHBondContact CA-O 3.19Å; T243-F315 WeakPolarHBondContact O-CD2 3.36Å; T243-T316 HydrophobicContact CG2-CG2 4.47Å; T243-T316 PolarHBondContact N-O 2.85Å; T243-T316 PolarHBondContact O-N 3.15Å
244Y97.9Very high95.3Very high1 Ų129.2 Ų29.20%0.00415%0.154CC..EExtended strand (participates in β ladder)trans-142.1148.3171.853.1-91.9000110.2I246 I255 L257 I265 T267 S279 G280 L294 L314Y244-I246 HydrophobicContact CD2-CG1 3.89Å; Y244-I255 HydrophobicContact CE2-CG2 4Å; Y244-L257 HydrophobicContact CD1-CD1 4.36Å; Y244-L257 HydrophobicContact CE1-CB 4.13Å; Y244-L257 HydrophobicContact CE1-CD1 4.23Å; Y244-I265 HydrophobicContact CE1-CD1 4.22Å; Y244-I265 WeakPolarHBondContact OH-CG2 3.35Å; Y244-T267 PolarHBondContact OH-OG1 2.9Å; Y244-S279 WeakPolarHBondContact O-CA 3.35Å; Y244-S279 WeakPolarHBondContact O-CB 3.04Å; Y244-G280 VanDerWaalsContact CD1-O 3.28Å; Y244-G280 WeakPolarHBondContact CD1-O 3.29Å; Y244-G280 WeakPolarHBondContact CE1-O 2.99Å; Y244-G280 PolarHBondContact N-O 2.81Å; Y244-G280 PolarHBondContact O-N 2.91Å; Y244-L294 HydrophobicContact CD1-CD1 4.1Å; Y244-L294 HydrophobicContact CD1-CD2 3.58Å; Y244-L294 HydrophobicContact CD1-CG 4.41Å; Y244-L294 HydrophobicContact CE1-CD2 3.71Å; Y244-L294 HydrophobicContact CG-CD1 3.92Å; Y244-L294 HydrophobicContact CG-CD2 4.04Å; Y244-L314 WeakPolarHBondContact CA-O 3.49Å; Y244-L314 VanDerWaalsContact CB-O 3.28Å; Y244-L314 WeakPolarHBondContact CB-O 3.29Å
245D97Very high95.3Very high61 Ų6129.1 Ų29.133%0.32615%0.153SC..EExtended strand (participates in β ladder)trans-130.8110.8178.2-61.8-64.8000106.6S279 S313 L314D245-S279 VanDerWaalsContact OD1-CB 3.23Å; D245-S279 WeakPolarHBondContact OD1-CB 3.35Å; D245-S279 PolarHBondContact OD1-OG 3.23Å; D245-S313 CarbonylContact O-C 3.53Å; D245-S313 VanDerWaalsContact O-CA 3.27Å; D245-S313 WeakPolarHBondContact O-CA 3.49Å; D245-L314 PolarHBondContact N-O 2.84Å; D245-L314 PolarHBondContact O-N 2.93Å
246I96.5Very high95.5Very high0 Ų027.9 Ų27.90%014%0.141CC..EExtended strand (participates in β ladder)trans-117.7118.3-171-54.4-61.8000109F214 Y244 L253 I255 V277 A278 L304F214-I246 HydrophobicContact CE1-CD1 4.39Å; F214-I246 HydrophobicContact CZ-CD1 4.36Å; Y244-I246 HydrophobicContact CD2-CG1 3.89Å; I246-L253 HydrophobicContact CB-CD2 4.03Å; I246-L253 HydrophobicContact CG2-CD1 4.41Å; I246-L253 HydrophobicContact CG2-CD2 3.67Å; I246-I255 HydrophobicContact CD1-CD1 4.12Å; I246-I255 HydrophobicContact CG1-CD1 3.89Å; I246-V277 WeakPolarHBondContact O-CA 3.41Å; I246-A278 PolarHBondContact N-O 2.93Å; I246-A278 PolarHBondContact O-N 2.83Å; I246-L304 HydrophobicContact CD1-CD1 4.28Å; I246-L304 HydrophobicContact CG2-CB 4.12Å; I246-L304 HydrophobicContact CG2-CD1 3.88Å; I246-L304 HydrophobicContact CG2-CG 3.75Å
247T95.4Very high95.8Very high13 Ų1327.2 Ų27.28%0.0814%0.137CC..EExtended strand (participates in β ladder)trans-76.2133.2168.6-55.70000108.9D276 F305 T311 D312 S313T247-D276 WeakPolarHBondContact CA-O 3.16Å; T247-F305 HydrophobicContact CG2-CD1 4.47Å; T247-F305 PolarHBondContact O-N 2.89Å; T247-T311 HydrophobicContact CG2-CG2 3.94Å; T247-D312 PolarHBondContact OG1-O 2.54Å; T247-S313 PolarHBondContact N-OG 2.92Å
248L93.8Very high95.9Very high0 Ų025.5 Ų25.50%013%0.125CC..EExtended strand (participates in β ladder)trans-123.4143177.966.7119.4000112.9L253 D269 N271 H275 D276 A278 G303L248-L253 HydrophobicContact CB-CB 4.16Å; L248-L253 HydrophobicContact CB-CD2 4.32Å; L248-L253 HydrophobicContact CD1-CB 4.48Å; L248-L253 HydrophobicContact CD2-CB 4.3Å; L248-L253 HydrophobicContact CD2-CD2 4.07Å; L248-D269 HydrophobicContact CD1-CB 4.38Å; L248-D269 HydrophobicContact CD2-CB 3.68Å; L248-N271 HydrophobicContact CD1-CB 3.69Å; L248-H275 WeakPolarHBondContact O-CA 3.35Å; L248-D276 HydrophobicContact CD1-CB 4.08Å; L248-D276 HydrophobicContact CD2-CB 3.96Å; L248-D276 HydrophobicContact CG-CB 3.88Å; L248-D276 PolarHBondContact N-O 3.09Å; L248-D276 PolarHBondContact O-N 2.94Å; L248-D276 VanDerWaalsContact O-N 3.15Å; L248-A278 HydrophobicContact CD2-CB 3.74Å; L248-G303 CarbonylContact C-O 3.58Å; L248-G303 WeakPolarHBondContact CA-O 3.38Å
249A93Very high96.1Very high1 Ų126 Ų261%0.00813%0.128CC..  trans-149146.2-177.500000112Y205 K251 N271 H275 G303 F305Y205-A249 PolarHBondContact OH-O 3.01Å; A249-K251 PolarHBondContact O-N 3.2Å; A249-N271 VanDerWaalsContact C-ND2 3.34Å; A249-N271 WeakPolarHBondContact CA-ND2 3.41Å; A249-H275 VanDerWaalsContact CB-ND1 3.34Å; A249-H275 WeakPolarHBondContact CB-ND1 3.49Å; A249-G303 PolarHBondContact N-O 2.88Å; A249-F305 HydrophobicContact CB-CB 3.59Å; A249-F305 HydrophobicContact CB-CD1 3.99Å; A249-F305 HydrophobicContact CB-CD2 3.74Å; A249-F305 HydrophobicContact CB-CE2 4.43Å; A249-F305 HydrophobicContact CB-CG 3.48Å; A249-F305 VanDerWaalsContact CB-CG 3.48Å
250N90.9Very high96.1Very high125 Ų12527.6 Ų27.667%0.66814%0.136SC*.SBendtrans63.2-25.1175-52.9-52.3000117.3Y205 N271Y205-N250 PolarHBondContact OH-ND2 2.87Å; N250-N271 PolarHBondContact N-ND2 3.15Å; N250-N271 VanDerWaalsContact N-ND2 3.16Å
251K92.1Very high95.9Very high95 Ų9530 Ų3041%0.41316%0.161SC..SBendtrans-134.5157.6179.4-59-179.5179.1-177.10110.4A249 N271 G303A249-K251 PolarHBondContact O-N 3.2Å; K251-N271 WeakPolarHBondContact O-CB 3.37Å; K251-G303 VanDerWaalsContact O-CA 3.29Å; K251-G303 WeakPolarHBondContact O-CA 3.04Å
252H94.1Very high95.8Very high94 Ų9432.6 Ų32.644%0.43518%0.176SC..  trans-64.2154.3169.3-49.2-52.4000110.8D269 N271 Q301 N302 G303H252-D269 WeakPolarHBondContact CA-O 3.45Å; H252-N271 PolarHBondContact CE1-O 2.8Å; H252-N271 PolarHBondContact ND1-N 2.86Å; H252-N271 PolarHBondContact ND1-O 3.43Å; H252-Q301 HydrophobicContact CB-CG 4.27Å; H252-Q301 CarbonylContact O-C 3.55Å; H252-Q301 WeakPolarHBondContact O-CA 3.47Å; H252-N302 PolarHBondContact O-N 2.91Å; H252-G303 WeakPolarHBondContact O-CA 3.34Å; H252-G303 PolarHBondContact O-N 3.21Å
253L95.4Very high95.7Very high0 Ų036.1 Ų36.10%019%0.19CC..EExtended strand (participates in β ladder)trans-115128179.9-178.270.3000110.4I246 L248 I255 F268 D269 A278 L304I246-L253 HydrophobicContact CB-CD2 4.03Å; I246-L253 HydrophobicContact CG2-CD1 4.41Å; I246-L253 HydrophobicContact CG2-CD2 3.67Å; L248-L253 HydrophobicContact CB-CB 4.16Å; L248-L253 HydrophobicContact CB-CD2 4.32Å; L248-L253 HydrophobicContact CD1-CB 4.48Å; L248-L253 HydrophobicContact CD2-CB 4.3Å; L248-L253 HydrophobicContact CD2-CD2 4.07Å; L253-I255 HydrophobicContact CD1-CB 4.29Å; L253-I255 HydrophobicContact CD2-CG2 4.05Å; L253-I255 HydrophobicContact CG-CB 4.3Å; L253-I255 HydrophobicContact CG-CG2 4.23Å; L253-F268 CarbonylContact O-C 3.58Å; L253-F268 WeakPolarHBondContact O-CA 3.4Å; L253-D269 HydrophobicContact CB-CB 4.39Å; L253-D269 PolarHBondContact N-O 2.83Å; L253-D269 PolarHBondContact O-N 2.75Å; L253-A278 HydrophobicContact CD2-CB 3.82Å; L253-L304 HydrophobicContact CD1-CB 4.12Å
254A95.6Very high95.6Very high0 Ų040.6 Ų40.60%020%0.204CC..EExtended strand (participates in β ladder)trans-127.691.7167.200000110.2T267 F268 I296 F297 Q301A254-T267 WeakPolarHBondContact CA-O 3.31Å; A254-F268 HydrophobicContact CB-CD1 3.94Å; A254-F268 HydrophobicContact CB-CE1 4.13Å; A254-I296 WeakPolarHBondContact O-CA 3.46Å; A254-F297 HydrophobicContact CB-CE1 4.01Å; A254-F297 HydrophobicContact CB-CE2 4.1Å; A254-F297 HydrophobicContact CB-CZ 3.75Å; A254-F297 WeakPolarHBondContact O-CD1 3.21Å; A254-F297 PolarHBondContact O-N 3.04Å; A254-Q301 HydrophobicContact CB-CB 3.8Å; A254-Q301 VanDerWaalsContact CB-OE1 3.29Å; A254-Q301 PolarHBondContact N-O 3.23Å
255I96.4Very high95.5Very high0 Ų041.9 Ų41.90%021%0.21CC..EExtended strand (participates in β ladder)trans-111140.7-177.1-165.1174.3000110.7I212 Y244 I246 L253 T267 L294I212-I255 HydrophobicContact CD1-CD1 3.67Å; I212-I255 HydrophobicContact CD1-CG1 4.07Å; Y244-I255 HydrophobicContact CE2-CG2 4Å; I246-I255 HydrophobicContact CD1-CD1 4.12Å; I246-I255 HydrophobicContact CG1-CD1 3.89Å; L253-I255 HydrophobicContact CD1-CB 4.29Å; L253-I255 HydrophobicContact CD2-CG2 4.05Å; L253-I255 HydrophobicContact CG-CB 4.3Å; L253-I255 HydrophobicContact CG-CG2 4.23Å; I255-T267 PolarHBondContact N-O 3.05Å; I255-T267 PolarHBondContact O-N 2.82Å; I255-L294 HydrophobicContact CD1-CB 4.1Å; I255-L294 HydrophobicContact CD1-CD1 4.16Å; I255-L294 HydrophobicContact CD1-CD2 4.2Å; I255-L294 HydrophobicContact CD1-CG 4.4Å; I255-L294 HydrophobicContact CG1-CB 4.36Å; I255-L294 HydrophobicContact CG1-CD2 4.26Å
256G96.6Very high95.4Very high0 Ų046 Ų460%022%0.221CC..EExtended strand (participates in β ladder)trans-129.7139.6178.100000112.2I265 L294 Q295G256-I265 CarbonylContact C-O 3.4Å; G256-I265 WeakPolarHBondContact CA-O 3.4Å; G256-L294 WeakPolarHBondContact O-CA 3.36Å; G256-Q295 PolarHBondContact N-O 3.15Å; G256-Q295 PolarHBondContact O-N 3Å
257L98.1Very high95.4Very high0 Ų047.1 Ų47.10%023%0.228CC..EExtended strand (participates in β ladder)trans-84.6122.6166.9-172.3148.9000108.5F242 Y244 Y263 R264 I265 T282 L284 V292 L294 F315F242-L257 HydrophobicContact CB-CD1 3.68Å; F242-L257 HydrophobicContact CG-CD1 4.29Å; Y244-L257 HydrophobicContact CD1-CD1 4.36Å; Y244-L257 HydrophobicContact CE1-CB 4.13Å; Y244-L257 HydrophobicContact CE1-CD1 4.23Å; L257-Y263 WeakPolarHBondContact O-CA 3.24Å; L257-R264 HydrophobicContact CD2-CB 3.95Å; L257-R264 HydrophobicContact CD2-CG 4.35Å; L257-R264 PolarHBondContact O-N 2.98Å; L257-I265 HydrophobicContact CB-CB 4.15Å; L257-I265 HydrophobicContact CB-CD1 4.42Å; L257-I265 HydrophobicContact CB-CG1 4.3Å; L257-I265 PolarHBondContact N-O 2.94Å; L257-I265 PolarHBondContact O-N 2.87Å; L257-T282 HydrophobicContact CD1-CG2 4.44Å; L257-T282 HydrophobicContact CD2-CG2 4.33Å; L257-L284 HydrophobicContact CD2-CD1 3.81Å; L257-V292 HydrophobicContact CD1-CG1 4.43Å; L257-V292 HydrophobicContact CD2-CG1 3.84Å; L257-V292 HydrophobicContact CG-CG1 4.11Å; L257-L294 HydrophobicContact CB-CD2 3.89Å; L257-L294 HydrophobicContact CG-CD2 4.41Å; L257-F315 HydrophobicContact CD1-CE2 4.22Å
258V97.9Very high95.3Very high0 Ų052.4 Ų52.40%025%0.25CS..EExtended strand (participates in β ladder)trans-113.4133.8-174.6-174.60000109.2G261 Q262 Y263 V292 W293 Q295V258-G261 VanDerWaalsContact CG1-C 3.48Å; V258-G261 VanDerWaalsContact CG1-CA 3.49Å; V258-Q262 CarbonylContact C-O 3.52Å; V258-Q262 WeakPolarHBondContact CA-O 3.49Å; V258-Y263 HydrophobicContact CG2-CD1 3.59Å; V258-Y263 HydrophobicContact CG2-CE1 3.59Å; V258-Y263 HydrophobicContact CG2-CG 4.38Å; V258-V292 VanDerWaalsContact O-CA 3.28Å; V258-V292 WeakPolarHBondContact O-CA 3.38Å; V258-W293 HydrophobicContact CB-CD2 3.97Å; V258-W293 HydrophobicContact CB-CE3 4.42Å; V258-W293 HydrophobicContact CB-CG 4.45Å; V258-W293 HydrophobicContact CB-CH2 4.36Å; V258-W293 HydrophobicContact CB-CZ2 3.88Å; V258-W293 HydrophobicContact CG1-CD2 4.25Å; V258-W293 HydrophobicContact CG1-CE3 4.42Å; V258-W293 HydrophobicContact CG1-CH2 3.57Å; V258-W293 HydrophobicContact CG1-CZ2 3.32Å; V258-W293 HydrophobicContact CG1-CZ3 4.11Å; V258-W293 PolarHBondContact N-O 2.85Å; V258-W293 PolarHBondContact O-N 3.42Å; V258-Q295 HydrophobicContact CG2-CG 3.69Å
259H97.8Very high95.4Very high13 Ų1354.6 Ų54.66%0.0626%0.262CS..EExtended strand (participates in β ladder)trans-122.9117.8172.3169.3-160.7000107.6G261 Q262 R264 L284 D290 E291 V292H259-G261 PolarHBondContact O-N 2.84Å; H259-G261 VanDerWaalsContact O-N 3.15Å; H259-Q262 PolarHBondContact N-O 2.92Å; H259-Q262 PolarHBondContact O-N 3.47Å; H259-R264 HydrophobicContact CB-CG 3.64Å; H259-R264 PolarHBondContact ND1-NE 2.91Å; H259-R264 PolarHBondContact ND1-NH2 2.87Å; H259-L284 HydrophobicContact CB-CD1 4.15Å; H259-D290 IonicContact CE1-OD2 3.38Å; H259-D290 IonicContact NE2-OD2 3.41Å; H259-D290 PolarHBondContact NE2-OD2 3.27Å; H259-E291 WeakPolarHBondContact CA-O 3.33Å; H259-V292 HydrophobicContact CB-CG2 4.4Å
260N96.3Very high95.3Very high83 Ų8357.6 Ų57.644%0.44429%0.287SS..THydrogen-bonded Turntrans48.841.3-179.6-68.5-10.3000113.5Q262 D290 E291N260-Q262 VanDerWaalsContact C-N 3.3Å; N260-Q262 PolarHBondContact O-N 3.32Å; N260-D290 PolarHBondContact ND2-OD1 3.03Å; N260-E291 PolarHBondContact N-O 3.14Å; N260-E291 PolarHBondContact OD1-N 2.89Å
261G94.1Very high95.2Very high51 Ų5152.3 Ų52.353%0.52626%0.259SS..THydrogen-bonded Turntrans83.9-7.1179.100000115.4V258 H259 W293V258-G261 VanDerWaalsContact CG1-C 3.48Å; V258-G261 VanDerWaalsContact CG1-CA 3.49Å; H259-G261 PolarHBondContact O-N 2.84Å; H259-G261 VanDerWaalsContact O-N 3.15Å; G261-W293 VanDerWaalsContact N-CH2 3.32Å
262Q96.3Very high94.8Very high122 Ų12253.8 Ų53.857%0.5728%0.276SS*.EExtended strand (participates in β ladder)trans-100.5134.7175.6-64.6-172.8-12.700111.8V258 H259 N260 R264V258-Q262 CarbonylContact C-O 3.52Å; V258-Q262 WeakPolarHBondContact CA-O 3.49Å; H259-Q262 PolarHBondContact N-O 2.92Å; H259-Q262 PolarHBondContact O-N 3.47Å; N260-Q262 VanDerWaalsContact C-N 3.3Å; N260-Q262 PolarHBondContact O-N 3.32Å; Q262-R264 PolarHBondContact O-N 3.03Å
263Y96Very high94Very high74 Ų7452.2 Ų52.229%0.2929%0.285SS..EExtended strand (participates in β ladder)trans-71.6124.2174.4-63.3-83.2000110.6L257 V258 R266 Q295 F297L257-Y263 WeakPolarHBondContact O-CA 3.24Å; V258-Y263 HydrophobicContact CG2-CD1 3.59Å; V258-Y263 HydrophobicContact CG2-CE1 3.59Å; V258-Y263 HydrophobicContact CG2-CG 4.38Å; Y263-R266 HydrophobicContact CD1-CG 4.41Å; Y263-R266 HydrophobicContact CG-CG 4.37Å; Y263-Q295 HydrophobicContact CE1-CG 4.02Å; Y263-Q295 PolarHBondContact OH-NE2 2.84Å; Y263-F297 HydrophobicContact CE1-CB 3.61Å; Y263-F297 HydrophobicContact CE1-CD1 4.11Å; Y263-F297 HydrophobicContact CE1-CG 4.11Å; Y263-F297 WeakPolarHBondContact OH-CB 3.41Å
264R95.9Very high93.5Very high119 Ų11957.6 Ų57.645%0.44931%0.314SS..EExtended strand (participates in β ladder)trans-97.1-36.9174.2-60.4-61.5-178.2176.7-1.1112L257 H259 Q262 L284L257-R264 HydrophobicContact CD2-CB 3.95Å; L257-R264 HydrophobicContact CD2-CG 4.35Å; L257-R264 PolarHBondContact O-N 2.98Å; H259-R264 HydrophobicContact CB-CG 3.64Å; H259-R264 PolarHBondContact ND1-NE 2.91Å; H259-R264 PolarHBondContact ND1-NH2 2.87Å; Q262-R264 PolarHBondContact O-N 3.03Å; R264-L284 HydrophobicContact CB-CD2 4.19Å; R264-L284 HydrophobicContact CG-CD1 4.26Å; R264-L284 HydrophobicContact CG-CD2 3.87Å
265I95.4Very high93.2Very high29 Ų2962 Ų6215%0.14933%0.334CS..EExtended strand (participates in β ladder)trans-128.6141.4171.8-48.2177.7000108Y244 G256 L257 S281 T282Y244-I265 HydrophobicContact CE1-CD1 4.22Å; Y244-I265 WeakPolarHBondContact OH-CG2 3.35Å; G256-I265 CarbonylContact C-O 3.4Å; G256-I265 WeakPolarHBondContact CA-O 3.4Å; L257-I265 HydrophobicContact CB-CB 4.15Å; L257-I265 HydrophobicContact CB-CD1 4.42Å; L257-I265 HydrophobicContact CB-CG1 4.3Å; L257-I265 PolarHBondContact N-O 2.94Å; L257-I265 PolarHBondContact O-N 2.87Å; I265-S281 WeakPolarHBondContact CD1-O 3.27Å; I265-T282 HydrophobicContact CD1-CG2 3.6Å; I265-T282 HydrophobicContact CG1-CG2 3.89Å
266R95.7Very high93Very high146 Ų14664.3 Ų64.355%0.55135%0.347SS*.EExtended strand (participates in β ladder)trans-124.7123.1164.2-64.6-178-177.1175.31.8107.9Y263 F268 F297Y263-R266 HydrophobicContact CD1-CG 4.41Å; Y263-R266 HydrophobicContact CG-CG 4.37Å; R266-F268 HydrophobicContact CB-CE2 3.93Å; R266-F297 HydrophobicContact CB-CE1 4.01Å; R266-F297 HydrophobicContact CB-CZ 4.02Å; R266-F297 HydrophobicContact CG-CE1 4.07Å; R266-F297 HydrophobicContact CG-CZ 4.2Å
267T95.6Very high92.9Very high24 Ų2468.7 Ų68.715%0.14737%0.373CS..EExtended strand (participates in β ladder)trans-116.8128.6-179.7-59.90000108.1Y244 A254 I255 A278Y244-T267 PolarHBondContact OH-OG1 2.9Å; A254-T267 WeakPolarHBondContact CA-O 3.31Å; I255-T267 PolarHBondContact N-O 3.05Å; I255-T267 PolarHBondContact O-N 2.82Å; T267-A278 HydrophobicContact CG2-CB 4.2Å
268F94.8Very high92.7Very high124 Ų12468.9 Ų68.954%0.54438%0.375SS..EExtended strand (participates in β ladder)trans-119.9132.5178.5-61.1-95000108L253 A254 R266 F297L253-F268 CarbonylContact O-C 3.58Å; L253-F268 WeakPolarHBondContact O-CA 3.4Å; A254-F268 HydrophobicContact CB-CD1 3.94Å; A254-F268 HydrophobicContact CB-CE1 4.13Å; R266-F268 HydrophobicContact CB-CE2 3.93Å; F268-F297 HydrophobicContact CD1-CZ 4.08Å; F268-F297 AromaticContact CE1-CE2 3.55Å; F268-F297 HydrophobicContact CE1-CE2 3.55Å; F268-F297 AromaticContact CE1-CZ 3.35Å; F268-F297 HydrophobicContact CE1-CZ 3.35Å; F268-F297 AromaticContact CE2-CZ 3.88Å; F268-F297 HydrophobicContact CE2-CZ 3.88Å; F268-F297 AromaticContact CZ-CE2 3.52Å; F268-F297 HydrophobicContact CZ-CE2 3.52Å; F268-F297 AromaticContact CZ-CZ 3.25Å; F268-F297 HydrophobicContact CZ-CZ 3.25Å
269D94.6Very high92.7Very high46 Ų4671.9 Ų71.925%0.24640%0.396CS..EExtended strand (participates in β ladder)trans-136.9133.1173.7-155.3-31.4000110.4L248 H252 L253 A278L248-D269 HydrophobicContact CD1-CB 4.38Å; L248-D269 HydrophobicContact CD2-CB 3.68Å; H252-D269 WeakPolarHBondContact CA-O 3.45Å; L253-D269 HydrophobicContact CB-CB 4.39Å; L253-D269 PolarHBondContact N-O 2.83Å; L253-D269 PolarHBondContact O-N 2.75Å; D269-A278 HydrophobicContact CB-CB 3.9Å
270A92.3Very high92.6Very high64 Ų6471.8 Ų71.853%0.52940%0.399SS..  trans-102101-174.700000109.8T272A270-T272 PolarHBondContact O-N 3.41Å
271N88Confident92.7Very high15 Ų1570.9 Ų70.98%0.0840%0.398CS..  trans-65.4130173.5-162.1-42.3000112.2L248 A249 N250 K251 H252 G273 N274L248-N271 HydrophobicContact CD1-CB 3.69Å; A249-N271 VanDerWaalsContact C-ND2 3.34Å; A249-N271 WeakPolarHBondContact CA-ND2 3.41Å; N250-N271 PolarHBondContact N-ND2 3.15Å; N250-N271 VanDerWaalsContact N-ND2 3.16Å; K251-N271 WeakPolarHBondContact O-CB 3.37Å; H252-N271 PolarHBondContact CE1-O 2.8Å; H252-N271 PolarHBondContact ND1-N 2.86Å; H252-N271 PolarHBondContact ND1-O 3.43Å; N271-G273 WeakPolarHBondContact OD1-CA 3.49Å; N271-G273 PolarHBondContact OD1-N 3.41Å; N271-N274 VanDerWaalsContact CG-O 3.32Å; N271-N274 PolarHBondContact ND2-O 3.04Å; N271-N274 PolarHBondContact OD1-N 2.91Å; N271-N274 PolarHBondContact OD1-O 2.77Å
272T82.8Confident92.8Very high125 Ų12570.2 Ų70.277%0.76739%0.385SS*.  trans-1059.7178.1540000114.6A270A270-T272 PolarHBondContact O-N 3.41Å
273G78.1Confident92.9Very high62 Ų6269.2 Ų69.264%0.63938%0.382SS*.SBendtrans114.2-4.1-179.100000114.4N271N271-G273 WeakPolarHBondContact OD1-CA 3.49Å; N271-G273 PolarHBondContact OD1-N 3.41Å
274N85.1Confident92.9Very high112 Ų11266.4 Ų66.460%0.59937%0.372SS*.SBendtrans-107.7-176.1177.1-74.8-16.1000111.3N271N271-N274 VanDerWaalsContact CG-O 3.32Å; N271-N274 PolarHBondContact ND2-O 3.04Å; N271-N274 PolarHBondContact OD1-N 2.91Å; N271-N274 PolarHBondContact OD1-O 2.77Å
275H89.7Confident93Very high92 Ų9264.1 Ų64.143%0.42638%0.378SS..  trans-93.8123.5170-61.9-86.9000109.4L248 A249 F305 W310L248-H275 WeakPolarHBondContact O-CA 3.35Å; A249-H275 VanDerWaalsContact CB-ND1 3.34Å; A249-H275 WeakPolarHBondContact CB-ND1 3.49Å; H275-F305 AromaticContact CE1-CE1 3.95Å; H275-W310 HydrophobicContact CB-CH2 4.13Å; H275-W310 AromaticContact CD2-CH2 3.48Å; H275-W310 VanDerWaalsContact CD2-CH2 3.48Å; H275-W310 WeakPolarHBondContact CD2-CH2 3.35Å; H275-W310 AromaticContact CE1-CH2 3.63Å; H275-W310 AromaticContact CE1-CZ2 3.76Å; H275-W310 AromaticContact CG-CH2 3.51Å; H275-W310 AromaticContact ND1-CH2 3.61Å; H275-W310 AromaticContact NE2-CH2 3.55Å; H275-W310 AromaticContact NE2-CZ2 3.75Å
276D92.8Very high93Very high50 Ų5062.9 Ų62.927%0.26737%0.372SS..EExtended strand (participates in β ladder)trans-118.1164.6177.8-63.4-43.1000110T247 L248T247-D276 WeakPolarHBondContact CA-O 3.16Å; L248-D276 HydrophobicContact CD1-CB 4.08Å; L248-D276 HydrophobicContact CD2-CB 3.96Å; L248-D276 HydrophobicContact CG-CB 3.88Å; L248-D276 PolarHBondContact N-O 3.09Å; L248-D276 PolarHBondContact O-N 2.94Å; L248-D276 VanDerWaalsContact O-N 3.15Å
277V93.8Very high93Very high92 Ų9263.3 Ų63.356%0.55838%0.378SS*.EExtended strand (participates in β ladder)trans-124.1120.6176.6-179.80000109I246I246-V277 WeakPolarHBondContact O-CA 3.41Å
278A94.8Very high93Very high4 Ų469.3 Ų69.33%0.03340%0.404CS..EExtended strand (participates in β ladder)trans-107.4124.9175.500000109.9I246 L248 L253 T267 D269I246-A278 PolarHBondContact N-O 2.93Å; I246-A278 PolarHBondContact O-N 2.83Å; L248-A278 HydrophobicContact CD2-CB 3.74Å; L253-A278 HydrophobicContact CD2-CB 3.82Å; T267-A278 HydrophobicContact CG2-CB 4.2Å; D269-A278 HydrophobicContact CB-CB 3.9Å
279S96.4Very high93Very high62 Ų6265.5 Ų65.543%0.43440%0.4SS..EExtended strand (participates in β ladder)trans-122152.7179.4-55.90000111.6Y244 D245Y244-S279 WeakPolarHBondContact O-CA 3.35Å; Y244-S279 WeakPolarHBondContact O-CB 3.04Å; D245-S279 VanDerWaalsContact OD1-CB 3.23Å; D245-S279 WeakPolarHBondContact OD1-CB 3.35Å; D245-S279 PolarHBondContact OD1-OG 3.23Å
280G96.4Very high93.1Very high12 Ų1264.6 Ų64.612%0.12440%0.395CS..EExtended strand (participates in β ladder)trans-154.1143.2173.800000111T243 Y244T243-G280 CarbonylContact C-O 3.5Å; T243-G280 WeakPolarHBondContact CA-O 3.19Å; Y244-G280 VanDerWaalsContact CD1-O 3.28Å; Y244-G280 WeakPolarHBondContact CD1-O 3.29Å; Y244-G280 WeakPolarHBondContact CE1-O 2.99Å; Y244-G280 PolarHBondContact N-O 2.81Å; Y244-G280 PolarHBondContact O-N 2.91Å
281S97.3Very high93.4Very high63 Ų6364.5 Ų64.544%0.44138%0.384SS..EExtended strand (participates in β ladder)trans-141.4152.3177.563.80000112.4Y241 F242 I265Y241-S281 WeakPolarHBondContact OH-CB 3.33Å; Y241-S281 PolarHBondContact OH-OG 2.95Å; F242-S281 CarbonylContact O-C 2.96Å; F242-S281 WeakPolarHBondContact O-CA 3.28Å; F242-S281 WeakPolarHBondContact O-CB 3.21Å; I265-S281 WeakPolarHBondContact CD1-O 3.27Å
282T97.6Very high93.9Very high38 Ų3863.8 Ų63.823%0.23338%0.38CS..EExtended strand (participates in β ladder)trans-156.8164.3175.4-165.40000111.1F242 L257 I265 L284F242-T282 PolarHBondContact N-O 3.39Å; F242-T282 PolarHBondContact O-N 2.97Å; L257-T282 HydrophobicContact CD1-CG2 4.44Å; L257-T282 HydrophobicContact CD2-CG2 4.33Å; I265-T282 HydrophobicContact CD1-CG2 3.6Å; I265-T282 HydrophobicContact CG1-CG2 3.89Å; T282-L284 HydrophobicContact CG2-CD1 4.39Å; T282-L284 HydrophobicContact CG2-CD2 4.15Å; T282-L284 HydrophobicContact CG2-CG 3.97Å
283I97.7Very high94.6Very high101 Ų10158.8 Ų58.852%0.51835%0.347SS..EExtended strand (participates in β ladder)trans-108131172.6-63.8172.7000107.8I239 Y240 Y241 I320I239-I283 HydrophobicContact CG2-CG2 3.3Å; Y240-I283 CarbonylContact O-C 3.57Å; Y240-I283 VanDerWaalsContact O-CA 3.24Å; Y240-I283 WeakPolarHBondContact O-CA 3.15Å; Y241-I283 HydrophobicContact CD2-CG1 3.91Å; I283-I320 HydrophobicContact CD1-CD1 4.41Å; I283-I320 HydrophobicContact CG1-CD1 4.36Å
284L97Very high95.6Very high15 Ų1555.9 Ų55.98%0.07932%0.317CS..EExtended strand (participates in β ladder)trans-126.8134.7177.2-61.5177.7000110.4Y240 F242 L257 H259 R264 T282 L286 V292Y240-L284 PolarHBondContact N-O 3.15Å; Y240-L284 PolarHBondContact O-N 3.46Å; F242-L284 HydrophobicContact CD2-CB 4.47Å; F242-L284 HydrophobicContact CD2-CD1 4.03Å; F242-L284 HydrophobicContact CD2-CG 4.33Å; F242-L284 HydrophobicContact CE2-CB 4.31Å; F242-L284 HydrophobicContact CE2-CD1 4.11Å; L257-L284 HydrophobicContact CD2-CD1 3.81Å; H259-L284 HydrophobicContact CB-CD1 4.15Å; R264-L284 HydrophobicContact CB-CD2 4.19Å; R264-L284 HydrophobicContact CG-CD1 4.26Å; R264-L284 HydrophobicContact CG-CD2 3.87Å; T282-L284 HydrophobicContact CG2-CD1 4.39Å; T282-L284 HydrophobicContact CG2-CD2 4.15Å; T282-L284 HydrophobicContact CG2-CG 3.97Å; L284-L286 HydrophobicContact CB-CD2 3.9Å; L284-L286 HydrophobicContact CB-CG 4.29Å; L284-L286 HydrophobicContact CD1-CD2 4.4Å; L284-V292 HydrophobicContact CD1-CG1 4.46Å; L284-V292 HydrophobicContact CD1-CG2 4.28Å
285A96.6Very high96.1Very high70 Ų7051.7 Ų51.758%0.57929%0.294SS*.EExtended strand (participates in β ladder)trans-80123.5161.100000108.3G238 I239G238-A285 WeakPolarHBondContact O-CA 3.37Å; I239-A285 HydrophobicContact CD1-CB 3.59Å
286L96.8Very high96.4Very high3 Ų347.3 Ų47.32%0.01627%0.274CS..EExtended strand (participates in β ladder)trans-120.2137.7-178.5-59.1-174.8000110.3F232 C234 P237 G238 Y240 F242 L284 D290 V292F232-L286 HydrophobicContact CD1-CD1 4.31Å; F232-L286 HydrophobicContact CE1-CD1 3.79Å; C234-L286 HydrophobicContact CB-CB 4.06Å; C234-L286 HydrophobicContact CB-CD1 4.16Å; P237-L286 VanDerWaalsContact CA-O 3.32Å; P237-L286 WeakPolarHBondContact CA-O 3.39Å; G238-L286 PolarHBondContact N-O 2.87Å; G238-L286 PolarHBondContact O-N 3Å; Y240-L286 HydrophobicContact CD2-CB 3.91Å; Y240-L286 HydrophobicContact CD2-CD1 3.66Å; Y240-L286 HydrophobicContact CD2-CG 3.85Å; Y240-L286 HydrophobicContact CE2-CB 4.12Å; Y240-L286 HydrophobicContact CE2-CD1 4.14Å; Y240-L286 HydrophobicContact CE2-CG 4.46Å; Y240-L286 HydrophobicContact CG-CD1 3.86Å; Y240-L286 HydrophobicContact CG-CG 4.37Å; F242-L286 HydrophobicContact CE2-CD1 3.81Å; F242-L286 HydrophobicContact CZ-CD1 3.72Å; L284-L286 HydrophobicContact CB-CD2 3.9Å; L284-L286 HydrophobicContact CB-CG 4.29Å; L284-L286 HydrophobicContact CD1-CD2 4.4Å; L286-D290 HydrophobicContact CB-CB 4.34Å; L286-D290 HydrophobicContact CD2-CB 4.25Å; L286-V292 HydrophobicContact CD1-CG2 3.86Å; L286-V292 HydrophobicContact CD2-CG2 3.84Å
287K95.9Very high96.4Very high156 Ų15646.3 Ų46.368%0.67827%0.267SS*.  trans-91164.1168-62.6-175.7179.6-174.10110C234 G289 D290C234-K287 VanDerWaalsContact CB-O 3.24Å; C234-K287 WeakPolarHBondContact CB-O 3.43Å; C234-K287 PolarHBondContact SG-O 2.86Å; K287-G289 PolarHBondContact O-N 3.33Å; K287-D290 PolarHBondContact N-OD2 2.94Å; K287-D290 WeakPolarHBondContact O-CB 3.28Å; K287-D290 PolarHBondContact O-N 2.99Å; K287-D290 VanDerWaalsContact O-N 3.14Å
288Q94.1Very high96.2Very high149 Ų14948.1 Ų48.170%0.69627%0.265SS*.THydrogen-bonded Turntrans-59.8130.3174.9-170.3174.344.900110.6G235G235-Q288 PolarHBondContact O-NE2 2.68Å
289G95.1Very high95.8Very high45 Ų4550.1 Ų50.146%0.46428%0.278SS..THydrogen-bonded Turntrans88.4-7.6-177.500000115.3C234 K287C234-G289 PolarHBondContact O-N 2.81Å; K287-G289 PolarHBondContact O-N 3.33Å
290D97.8Very high95.3Very high26 Ų2654.9 Ų54.914%0.13929%0.294CS..  trans-63.5139.5175.8-76.2-15.9000111.3C234 H259 N260 L286 K287C234-D290 HydrophobicContact CB-CB 4.23Å; C234-D290 WeakPolarHBondContact CB-O 3.32Å; C234-D290 PolarHBondContact N-O 2.83Å; H259-D290 IonicContact CE1-OD2 3.38Å; H259-D290 IonicContact NE2-OD2 3.41Å; H259-D290 PolarHBondContact NE2-OD2 3.27Å; N260-D290 PolarHBondContact ND2-OD1 3.03Å; L286-D290 HydrophobicContact CB-CB 4.34Å; L286-D290 HydrophobicContact CD2-CB 4.25Å; K287-D290 PolarHBondContact N-OD2 2.94Å; K287-D290 WeakPolarHBondContact O-CB 3.28Å; K287-D290 PolarHBondContact O-N 2.99Å; K287-D290 VanDerWaalsContact O-N 3.14Å
291E98Very high95Very high63 Ų6356.6 Ų56.629%0.29430%0.298SS..EExtended strand (participates in β ladder)trans-107.4133.5-178.6-61.4-170.9143.300111.4K231 F232 V233 H259 N260 W293K231-E291 IonicContact NZ-OE1 3.96Å; K231-E291 IonicContact NZ-OE2 3.96Å; K231-E291 PolarHBondContact NZ-OE2 3.27Å; F232-E291 CarbonylContact O-C 3.59Å; F232-E291 WeakPolarHBondContact O-CA 3.13Å; V233-E291 HydrophobicContact CG2-CG 4.39Å; H259-E291 WeakPolarHBondContact CA-O 3.33Å; N260-E291 PolarHBondContact N-O 3.14Å; N260-E291 PolarHBondContact OD1-N 2.89Å; E291-W293 HydrophobicContact CB-CE3 4.1Å; E291-W293 HydrophobicContact CB-CZ3 3.87Å
292V98.4Very high94.8Very high0 Ų053.9 Ų53.90%028%0.279CS..EExtended strand (participates in β ladder)trans-127.7133.1174.9-175.50000110.6F232 F242 L257 V258 H259 L284 L286 F315F232-V292 HydrophobicContact CB-CB 4.48Å; F232-V292 WeakPolarHBondContact CB-O 3.44Å; F232-V292 HydrophobicContact CD1-CB 4.31Å; F232-V292 PolarHBondContact N-O 3.42Å; F232-V292 PolarHBondContact O-N 3.37Å; F242-V292 HydrophobicContact CD1-CG1 4.13Å; F242-V292 HydrophobicContact CD2-CG1 4.44Å; F242-V292 HydrophobicContact CE1-CB 4.1Å; F242-V292 HydrophobicContact CE1-CG1 3.9Å; F242-V292 HydrophobicContact CE2-CG1 4.25Å; F242-V292 HydrophobicContact CE2-CG2 4.14Å; F242-V292 HydrophobicContact CG-CG1 4.38Å; F242-V292 HydrophobicContact CZ-CB 3.97Å; F242-V292 HydrophobicContact CZ-CG1 3.99Å; F242-V292 HydrophobicContact CZ-CG2 3.89Å; L257-V292 HydrophobicContact CD1-CG1 4.43Å; L257-V292 HydrophobicContact CD2-CG1 3.84Å; L257-V292 HydrophobicContact CG-CG1 4.11Å; V258-V292 VanDerWaalsContact O-CA 3.28Å; V258-V292 WeakPolarHBondContact O-CA 3.38Å; H259-V292 HydrophobicContact CB-CG2 4.4Å; L284-V292 HydrophobicContact CD1-CG1 4.46Å; L284-V292 HydrophobicContact CD1-CG2 4.28Å; L286-V292 HydrophobicContact CD1-CG2 3.86Å; L286-V292 HydrophobicContact CD2-CG2 3.84Å; V292-F315 HydrophobicContact CG1-CZ 4.39Å
293W98.3Very high94.6Very high20 Ų2052.1 Ų52.18%0.07627%0.268CS..EExtended strand (participates in β ladder)trans-154.8171177.869.695.5000112.6P211 K231 V258 G261 E291P211-W293 HydrophobicContact CB-CB 4.47Å; P211-W293 HydrophobicContact CB-CG 4.12Å; P211-W293 HydrophobicContact CG-CG 4.32Å; K231-W293 HydrophobicContact CB-CB 4.34Å; K231-W293 HydrophobicContact CD-CD2 4.46Å; K231-W293 HydrophobicContact CD-CE3 4.16Å; K231-W293 HydrophobicContact CG-CB 3.95Å; K231-W293 HydrophobicContact CG-CD2 4.38Å; K231-W293 HydrophobicContact CG-CE3 4.38Å; K231-W293 HydrophobicContact CG-CG 4.24Å; V258-W293 HydrophobicContact CB-CD2 3.97Å; V258-W293 HydrophobicContact CB-CE3 4.42Å; V258-W293 HydrophobicContact CB-CG 4.45Å; V258-W293 HydrophobicContact CB-CH2 4.36Å; V258-W293 HydrophobicContact CB-CZ2 3.88Å; V258-W293 HydrophobicContact CG1-CD2 4.25Å; V258-W293 HydrophobicContact CG1-CE3 4.42Å; V258-W293 HydrophobicContact CG1-CH2 3.57Å; V258-W293 HydrophobicContact CG1-CZ2 3.32Å; V258-W293 HydrophobicContact CG1-CZ3 4.11Å; V258-W293 PolarHBondContact N-O 2.85Å; V258-W293 PolarHBondContact O-N 3.42Å; G261-W293 VanDerWaalsContact N-CH2 3.32Å; E291-W293 HydrophobicContact CB-CE3 4.1Å; E291-W293 HydrophobicContact CB-CZ3 3.87Å
294L98Very high94.5Very high0 Ų047.3 Ų47.30%024%0.243CC..EExtended strand (participates in β ladder)trans-105.6140.6170.7-69168.1000110.8I212 F214 Y244 I255 G256 L257 F315I212-L294 HydrophobicContact CD1-CB 4.14Å; I212-L294 PolarHBondContact N-O 3.11Å; F214-L294 HydrophobicContact CE2-CB 4.24Å; F214-L294 HydrophobicContact CE2-CD1 3.96Å; F214-L294 HydrophobicContact CZ-CD1 3.63Å; Y244-L294 HydrophobicContact CD1-CD1 4.1Å; Y244-L294 HydrophobicContact CD1-CD2 3.58Å; Y244-L294 HydrophobicContact CD1-CG 4.41Å; Y244-L294 HydrophobicContact CE1-CD2 3.71Å; Y244-L294 HydrophobicContact CG-CD1 3.92Å; Y244-L294 HydrophobicContact CG-CD2 4.04Å; I255-L294 HydrophobicContact CD1-CB 4.1Å; I255-L294 HydrophobicContact CD1-CD1 4.16Å; I255-L294 HydrophobicContact CD1-CD2 4.2Å; I255-L294 HydrophobicContact CD1-CG 4.4Å; I255-L294 HydrophobicContact CG1-CB 4.36Å; I255-L294 HydrophobicContact CG1-CD2 4.26Å; G256-L294 WeakPolarHBondContact O-CA 3.36Å; L257-L294 HydrophobicContact CB-CD2 3.89Å; L257-L294 HydrophobicContact CG-CD2 4.41Å; L294-F315 HydrophobicContact CD1-CB 3.81Å; L294-F315 HydrophobicContact CD1-CD1 4.18Å; L294-F315 HydrophobicContact CD1-CD2 3.63Å; L294-F315 HydrophobicContact CD1-CE2 4.22Å; L294-F315 HydrophobicContact CD1-CG 3.61Å; L294-F315 HydrophobicContact CG-CD1 4.48Å; L294-F315 HydrophobicContact CG-CD2 4.15Å; L294-F315 HydrophobicContact CG-CE2 4.25Å; L294-F315 HydrophobicContact CG-CG 4.28Å; L294-F315 HydrophobicContact CG-CZ 4.46Å
295Q96Very high94.4Very high25 Ų2548.1 Ų48.112%0.11725%0.246CC..EExtended strand (participates in β ladder)trans-145.7151.7172.370.6-176.835.200111.9L210 G256 V258 Y263L210-Q295 VanDerWaalsContact O-CB 3.31Å; L210-Q295 WeakPolarHBondContact O-CB 3.24Å; G256-Q295 PolarHBondContact N-O 3.15Å; G256-Q295 PolarHBondContact O-N 3Å; V258-Q295 HydrophobicContact CG2-CG 3.69Å; Y263-Q295 HydrophobicContact CE1-CG 4.02Å; Y263-Q295 PolarHBondContact OH-NE2 2.84Å
296I95.6Very high94.3Very high0 Ų046.5 Ų46.50%023%0.225CC..EExtended strand (participates in β ladder)trans-82.2120.6169.4-64.3155.5000107.7P206 E208 R209 I212 A254 Y298 N302P206-I296 HydrophobicContact CG-CD1 3.91Å; E208-I296 HydrophobicContact CB-CG2 4.46Å; E208-I296 HydrophobicContact CG-CG2 4.08Å; R209-I296 WeakPolarHBondContact CA-O 3.22Å; R209-I296 PolarHBondContact N-O 2.82Å; I212-I296 HydrophobicContact CD1-CD1 4.48Å; I212-I296 HydrophobicContact CD1-CG1 4.16Å; A254-I296 WeakPolarHBondContact O-CA 3.46Å; I296-Y298 WeakPolarHBondContact CG2-O 3.47Å; I296-N302 HydrophobicContact CD1-CB 3.84Å; I296-N302 WeakPolarHBondContact CD1-OD1 3Å; I296-N302 HydrophobicContact CG2-CB 4.46Å
297F92.3Very high94.1Very high29 Ų2948.1 Ų48.113%0.12723%0.234CC..  trans-101.3-18.3-172.462.8-95000114.1A254 Y263 R266 F268A254-F297 HydrophobicContact CB-CE1 4.01Å; A254-F297 HydrophobicContact CB-CE2 4.1Å; A254-F297 HydrophobicContact CB-CZ 3.75Å; A254-F297 WeakPolarHBondContact O-CD1 3.21Å; A254-F297 PolarHBondContact O-N 3.04Å; Y263-F297 HydrophobicContact CE1-CB 3.61Å; Y263-F297 HydrophobicContact CE1-CD1 4.11Å; Y263-F297 HydrophobicContact CE1-CG 4.11Å; Y263-F297 WeakPolarHBondContact OH-CB 3.41Å; R266-F297 HydrophobicContact CB-CE1 4.01Å; R266-F297 HydrophobicContact CB-CZ 4.02Å; R266-F297 HydrophobicContact CG-CE1 4.07Å; R266-F297 HydrophobicContact CG-CZ 4.2Å; F268-F297 HydrophobicContact CD1-CZ 4.08Å; F268-F297 AromaticContact CE1-CE2 3.55Å; F268-F297 HydrophobicContact CE1-CE2 3.55Å; F268-F297 AromaticContact CE1-CZ 3.35Å; F268-F297 HydrophobicContact CE1-CZ 3.35Å; F268-F297 AromaticContact CE2-CZ 3.88Å; F268-F297 HydrophobicContact CE2-CZ 3.88Å; F268-F297 AromaticContact CZ-CE2 3.52Å; F268-F297 HydrophobicContact CZ-CE2 3.52Å; F268-F297 AromaticContact CZ-CZ 3.25Å; F268-F297 HydrophobicContact CZ-CZ 3.25Å
298Y89.8Confident93.9Very high130 Ų13045 Ų4551%0.5123%0.23SC..SBendtrans-108.4132.7179.8-152.6-86.1000109.7I296 Q301I296-Y298 WeakPolarHBondContact CG2-O 3.47Å; Y298-Q301 HydrophobicContact CD1-CB 4.4Å; Y298-Q301 HydrophobicContact CD1-CG 3.77Å; Y298-Q301 HydrophobicContact CG-CG 4.46Å
299S87.1Confident93.8Very high46 Ų4648 Ų4832%0.32224%0.236SC..THydrogen-bonded Turntrans-66.9146.7-179.3-44.40000110.4E208 R209 Q301E208-S299 WeakPolarHBondContact OE2-CA 3.32Å; R209-S299 PolarHBondContact NH2-OG 2.9Å; R209-S299 VanDerWaalsContact NH2-OG 3.14Å; S299-Q301 PolarHBondContact O-N 2.92Å
300E85.9Confident93.5Very high162 Ų16252.8 Ų52.876%0.75724%0.241SC*.THydrogen-bonded Turntrans65.3-6179.7-50.6-172.8166.900116E208 N302E208-E300 PolarHBondContact OE1-N 2.84Å; E208-E300 PolarHBondContact OE2-N 3.1Å; E300-N302 VanDerWaalsContact C-N 3.32Å; E300-N302 PolarHBondContact O-N 3.09Å
301Q89.6Confident93.1Very high47 Ų4752.1 Ų52.122%0.2224%0.238CC..  trans-9952174.2-62.8-172.116.300111.7H252 A254 Y298 S299H252-Q301 HydrophobicContact CB-CG 4.27Å; H252-Q301 CarbonylContact O-C 3.55Å; H252-Q301 WeakPolarHBondContact O-CA 3.47Å; A254-Q301 HydrophobicContact CB-CB 3.8Å; A254-Q301 VanDerWaalsContact CB-OE1 3.29Å; A254-Q301 PolarHBondContact N-O 3.23Å; Y298-Q301 HydrophobicContact CD1-CB 4.4Å; Y298-Q301 HydrophobicContact CD1-CG 3.77Å; Y298-Q301 HydrophobicContact CG-CG 4.46Å; S299-Q301 PolarHBondContact O-N 2.92Å
302N92.3Very high92.7Very high7 Ų752.5 Ų52.54%0.03724%0.241CC..  trans-105.374.8175.8-1798.9000109.4Y205 P206 E208 H252 I296 E300 L304Y205-N302 VanDerWaalsContact C-ND2 3.25Å; Y205-N302 WeakPolarHBondContact CA-ND2 3.14Å; Y205-N302 WeakPolarHBondContact CA-OD1 3.31Å; Y205-N302 WeakPolarHBondContact CD1-O 3.36Å; Y205-N302 WeakPolarHBondContact CE1-O 3.49Å; P206-N302 WeakPolarHBondContact CD-OD1 3.43Å; P206-N302 PolarHBondContact O-ND2 2.56Å; E208-N302 HydrophobicContact CG-CB 3.99Å; E208-N302 WeakPolarHBondContact OE1-CB 3.4Å; H252-N302 PolarHBondContact O-N 2.91Å; I296-N302 HydrophobicContact CD1-CB 3.84Å; I296-N302 WeakPolarHBondContact CD1-OD1 3Å; I296-N302 HydrophobicContact CG2-CB 4.46Å; E300-N302 VanDerWaalsContact C-N 3.32Å; E300-N302 PolarHBondContact O-N 3.09Å; N302-L304 VanDerWaalsContact C-N 3.3Å
303G94Very high92.6Very high0 Ų052.5 Ų52.50%024%0.241CC..  trans-80.6-7.2177.100000114.5L248 A249 K251 H252 F305L248-G303 CarbonylContact C-O 3.58Å; L248-G303 WeakPolarHBondContact CA-O 3.38Å; A249-G303 PolarHBondContact N-O 2.88Å; K251-G303 VanDerWaalsContact O-CA 3.29Å; K251-G303 WeakPolarHBondContact O-CA 3.04Å; H252-G303 WeakPolarHBondContact O-CA 3.34Å; H252-G303 PolarHBondContact O-N 3.21Å; G303-F305 PolarHBondContact O-N 2.86Å
304L95.3Very high92.6Very high0 Ų053.6 Ų53.60%025%0.249CC..BIsolated β-bridgetrans-59.9122.7-170.3-176.8158.6000111V201 Y205 P206 I212 I246 L253 N302V201-L304 HydrophobicContact CG1-CD2 4.4Å; V201-L304 HydrophobicContact CG2-CD2 3.97Å; Y205-L304 PolarHBondContact N-O 3.23Å; P206-L304 HydrophobicContact CG-CD1 4.26Å; P206-L304 HydrophobicContact CG-CD2 4.32Å; I212-L304 HydrophobicContact CD1-CD1 4.1Å; I212-L304 HydrophobicContact CG2-CD1 4.36Å; I246-L304 HydrophobicContact CD1-CD1 4.28Å; I246-L304 HydrophobicContact CG2-CB 4.12Å; I246-L304 HydrophobicContact CG2-CD1 3.88Å; I246-L304 HydrophobicContact CG2-CG 3.75Å; L253-L304 HydrophobicContact CD1-CB 4.12Å; N302-L304 VanDerWaalsContact C-N 3.3Å
305F94.6Very high92.6Very high32 Ų3253.6 Ų53.614%0.1425%0.249CC..  trans-123.7148-172.5-174.4-103.1000111.5S204 T247 A249 H275 G303 D307 W310 S313S204-F305 WeakPolarHBondContact OG-CD2 3.41Å; T247-F305 HydrophobicContact CG2-CD1 4.47Å; T247-F305 PolarHBondContact O-N 2.89Å; A249-F305 HydrophobicContact CB-CB 3.59Å; A249-F305 HydrophobicContact CB-CD1 3.99Å; A249-F305 HydrophobicContact CB-CD2 3.74Å; A249-F305 HydrophobicContact CB-CE2 4.43Å; A249-F305 HydrophobicContact CB-CG 3.48Å; A249-F305 VanDerWaalsContact CB-CG 3.48Å; H275-F305 AromaticContact CE1-CE1 3.95Å; G303-F305 PolarHBondContact O-N 2.86Å; F305-D307 HydrophobicContact CE1-CB 3.82Å; F305-D307 HydrophobicContact CZ-CB 4.18Å; F305-W310 HydrophobicContact CE1-CZ2 4.13Å; F305-S313 PolarHBondContact O-OG 3.16Å; F305-S313 VanDerWaalsContact O-OG 3.09Å
306Y94.6Very high92.7Very high36 Ų3653.9 Ų53.914%0.14125%0.252CS..  trans-143.4137.1176.8168.5-102.5000110V201 T202 S204 P308 T311V201-Y306 HydrophobicContact CG2-CD2 4.44Å; V201-Y306 HydrophobicContact CG2-CG 4.46Å; V201-Y306 WeakPolarHBondContact O-CD2 3.48Å; V201-Y306 WeakPolarHBondContact O-CE2 3.49Å; T202-Y306 VanDerWaalsContact CA-CE1 3.45Å; T202-Y306 WeakPolarHBondContact O-CD1 3.46Å; T202-Y306 WeakPolarHBondContact O-CE1 3.23Å; S204-Y306 PolarHBondContact OG-N 2.83Å; S204-Y306 PolarHBondContact OG-O 3.07Å; S204-Y306 VanDerWaalsContact OG-O 3.04Å; Y306-P308 HydrophobicContact CE1-CG 3.74Å; Y306-P308 WeakPolarHBondContact OH-CA 3.43Å; Y306-T311 WeakPolarHBondContact CD2-O 3.04Å
307D92.9Very high92.9Very high38 Ų3853.9 Ų53.920%0.20325%0.252CS..BIsolated β-bridgetrans-139.9122.5173.3-174.2-67.9000108.9F305 Y309 W310 T311F305-D307 HydrophobicContact CE1-CB 3.82Å; F305-D307 HydrophobicContact CZ-CB 4.18Å; D307-Y309 PolarHBondContact O-N 3.19Å; D307-Y309 WeakPolarHBondContact OD1-CB 3.42Å; D307-Y309 WeakPolarHBondContact OD1-CD2 3.18Å; D307-Y309 PolarHBondContact OD1-N 3.01Å; D307-W310 PolarHBondContact O-N 2.98Å; D307-W310 PolarHBondContact OD2-NE1 3.38Å; D307-T311 WeakPolarHBondContact CB-OG1 3.15Å; D307-T311 PolarHBondContact N-OG1 2.94Å; D307-T311 PolarHBondContact O-N 2.72Å; D307-T311 VanDerWaalsContact O-N 3.15Å
308P92.6Very high93.1Very high91 Ų9156.6 Ų56.659%0.59126%0.264SS*.THydrogen-bonded Turntrans-56.8-20.3-176.6-24.431.8000116.1Y306Y306-P308 HydrophobicContact CE1-CG 3.74Å; Y306-P308 WeakPolarHBondContact OH-CA 3.43Å
309Y91.9Very high93.4Very high211 Ų21151.8 Ų51.883%0.82725%0.247SC*.THydrogen-bonded Turntrans-96.2-30.5-172.1-58.6-76.9000113.5D307D307-Y309 PolarHBondContact O-N 3.19Å; D307-Y309 WeakPolarHBondContact OD1-CB 3.42Å; D307-Y309 WeakPolarHBondContact OD1-CD2 3.18Å; D307-Y309 PolarHBondContact OD1-N 3.01Å
310W88.3Confident93.7Very high146 Ų14652.7 Ų52.755%0.55325%0.247SC*.THydrogen-bonded Turntrans-148.2-2.6-168.369-78.7000116.1H275 F305 D307H275-W310 HydrophobicContact CB-CH2 4.13Å; H275-W310 AromaticContact CD2-CH2 3.48Å; H275-W310 VanDerWaalsContact CD2-CH2 3.48Å; H275-W310 WeakPolarHBondContact CD2-CH2 3.35Å; H275-W310 AromaticContact CE1-CH2 3.63Å; H275-W310 AromaticContact CE1-CZ2 3.76Å; H275-W310 AromaticContact CG-CH2 3.51Å; H275-W310 AromaticContact ND1-CH2 3.61Å; H275-W310 AromaticContact NE2-CH2 3.55Å; H275-W310 AromaticContact NE2-CZ2 3.75Å; F305-W310 HydrophobicContact CE1-CZ2 4.13Å; D307-W310 PolarHBondContact O-N 2.98Å; D307-W310 PolarHBondContact OD2-NE1 3.38Å
311T89.3Confident94Very high12 Ų1252.8 Ų52.87%0.07424%0.242CC..BIsolated β-bridgetrans-135.8135.417667.30000112.8T247 Y306 D307T247-T311 HydrophobicContact CG2-CG2 3.94Å; Y306-T311 WeakPolarHBondContact CD2-O 3.04Å; D307-T311 WeakPolarHBondContact CB-OG1 3.15Å; D307-T311 PolarHBondContact N-OG1 2.94Å; D307-T311 PolarHBondContact O-N 2.72Å; D307-T311 VanDerWaalsContact O-N 3.15Å
312D90.9Very high94Very high70 Ų7052.6 Ų52.637%0.37425%0.248SC..  trans-121.9146.1167-82.6-52.2000108.2K216 T247 L314K216-D312 IonicContact NZ-OD1 3.87Å; K216-D312 PolarHBondContact NZ-OD1 3Å; K216-D312 IonicContact NZ-OD2 2.91Å; K216-D312 PolarHBondContact NZ-OD2 2.83Å; T247-D312 PolarHBondContact OG1-O 2.54Å; D312-L314 HydrophobicContact CB-CD2 4.11Å; D312-L314 HydrophobicContact CB-CG 4.42Å
313S96.1Very high93.7Very high0 Ų056.4 Ų56.40%027%0.269CS..  trans-116.8121.8165.8-64.50000108.5A200 V201 D245 T247 F305A200-S313 WeakPolarHBondContact CA-O 3.19Å; V201-S313 PolarHBondContact N-O 3.44Å; V201-S313 VanDerWaalsContact N-O 3.15Å; D245-S313 CarbonylContact O-C 3.53Å; D245-S313 VanDerWaalsContact O-CA 3.27Å; D245-S313 WeakPolarHBondContact O-CA 3.49Å; T247-S313 PolarHBondContact N-OG 2.92Å; F305-S313 PolarHBondContact O-OG 3.16Å; F305-S313 VanDerWaalsContact O-OG 3.09Å
314L97.4Very high92.7Very high44 Ų4465 Ų6523%0.2331%0.309CS..EExtended strand (participates in β ladder)trans-114.2148.5-164.9-58.8179.3000112V199 A200 L218 Y244 D245 D312V199-L314 CarbonylContact O-C 3.58Å; V199-L314 WeakPolarHBondContact O-CA 3.39Å; A200-L314 HydrophobicContact CB-CD2 3.57Å; L218-L314 HydrophobicContact CD1-CD2 3.81Å; Y244-L314 WeakPolarHBondContact CA-O 3.49Å; Y244-L314 VanDerWaalsContact CB-O 3.28Å; Y244-L314 WeakPolarHBondContact CB-O 3.29Å; D245-L314 PolarHBondContact N-O 2.84Å; D245-L314 PolarHBondContact O-N 2.93Å; D312-L314 HydrophobicContact CB-CD2 4.11Å; D312-L314 HydrophobicContact CB-CG 4.42Å
315F98.3Very high91.1Very high0 Ų071.9 Ų71.90%035%0.346CS..EExtended strand (participates in β ladder)trans-134.6125.6166.8177.3-139.6000109.1F197 V199 F214 Y225 F242 T243 L257 V292 L294F197-F315 AromaticContact CE2-CD1 3.58Å; F197-F315 HydrophobicContact CE2-CD1 3.58Å; F197-F315 AromaticContact CE2-CE1 3.61Å; F197-F315 HydrophobicContact CE2-CE1 3.61Å; F197-F315 HydrophobicContact CE2-CG 4.05Å; F197-F315 HydrophobicContact CE2-CZ 4.12Å; F197-F315 HydrophobicContact CZ-CD1 4.03Å; F197-F315 AromaticContact CZ-CE1 3.58Å; F197-F315 HydrophobicContact CZ-CE1 3.58Å; F197-F315 HydrophobicContact CZ-CE2 4.22Å; F197-F315 AromaticContact CZ-CZ 3.69Å; F197-F315 HydrophobicContact CZ-CZ 3.69Å; V199-F315 HydrophobicContact CG2-CB 4.08Å; V199-F315 HydrophobicContact CG2-CD1 4.35Å; V199-F315 VanDerWaalsContact CG2-O 3.29Å; V199-F315 WeakPolarHBondContact CG2-O 3.41Å; V199-F315 PolarHBondContact N-O 2.9Å; V199-F315 PolarHBondContact O-N 3.27Å; F214-F315 HydrophobicContact CD1-CB 3.95Å; F214-F315 HydrophobicContact CD2-CB 4.24Å; F214-F315 HydrophobicContact CD2-CD1 4.34Å; F214-F315 HydrophobicContact CE1-CB 3.62Å; F214-F315 HydrophobicContact CE2-CB 3.93Å; F214-F315 HydrophobicContact CE2-CD1 4.21Å; F214-F315 HydrophobicContact CE2-CG 4.4Å; F214-F315 HydrophobicContact CG-CB 4.28Å; F214-F315 HydrophobicContact CZ-CB 3.63Å; F214-F315 HydrophobicContact CZ-CG 4.45Å; Y225-F315 HydrophobicContact CE2-CD1 4.21Å; Y225-F315 HydrophobicContact CE2-CE1 4.29Å; F242-F315 HydrophobicContact CB-CE2 4.38Å; F242-F315 AromaticContact CD1-CE2 3.93Å; F242-F315 HydrophobicContact CD1-CE2 3.93Å; F242-F315 AromaticContact CD1-CZ 3.9Å; F242-F315 HydrophobicContact CD1-CZ 3.9Å; F242-F315 HydrophobicContact CE1-CZ 4.41Å; T243-F315 WeakPolarHBondContact O-CD2 3.36Å; L257-F315 HydrophobicContact CD1-CE2 4.22Å; V292-F315 HydrophobicContact CG1-CZ 4.39Å; L294-F315 HydrophobicContact CD1-CB 3.81Å; L294-F315 HydrophobicContact CD1-CD1 4.18Å; L294-F315 HydrophobicContact CD1-CD2 3.63Å; L294-F315 HydrophobicContact CD1-CE2 4.22Å; L294-F315 HydrophobicContact CD1-CG 3.61Å; L294-F315 HydrophobicContact CG-CD1 4.48Å; L294-F315 HydrophobicContact CG-CD2 4.15Å; L294-F315 HydrophobicContact CG-CE2 4.25Å; L294-F315 HydrophobicContact CG-CG 4.28Å; L294-F315 HydrophobicContact CG-CZ 4.46Å
316T98.6Very high88.9Confident30 Ų3076.3 Ų76.318%0.18437%0.371CS..EExtended strand (participates in β ladder)trans-132.9141.3-173.5-60.40000109.6F197 S198 F242 T243F197-T316 WeakPolarHBondContact O-CA 3.48Å; F197-T316 WeakPolarHBondContact O-CG2 3.34Å; S198-T316 PolarHBondContact OG-OG1 2.82Å; F242-T316 WeakPolarHBondContact CA-O 3.48Å; T243-T316 HydrophobicContact CG2-CG2 4.47Å; T243-T316 PolarHBondContact N-O 2.85Å; T243-T316 PolarHBondContact O-N 3.15Å
317G98.2Very high86.9Confident0 Ų080 Ų800%040%0.399CS..EExtended strand (participates in β ladder)trans-152.4144.817200000112.2A196 F197 Y241A196-G317 CarbonylContact C-O 3.54Å; A196-G317 VanDerWaalsContact CA-O 3.31Å; A196-G317 WeakPolarHBondContact CA-O 3.21Å; F197-G317 WeakPolarHBondContact CD1-O 3.29Å; F197-G317 PolarHBondContact N-O 3.44Å; F197-G317 PolarHBondContact O-N 3.28Å; Y241-G317 CarbonylContact O-C 3.59Å; Y241-G317 WeakPolarHBondContact O-CA 3.34Å
318F97.6Very high84.5Confident86 Ų8684.9 Ų84.938%0.37743%0.425SS..EExtended strand (participates in β ladder)trans-150.8151.6178.661-92.4000112.5S195 A196 Y240 Y241 I320S195-F318 WeakPolarHBondContact O-CA 3.2Å; A196-F318 HydrophobicContact CB-CB 3.67Å; Y240-F318 WeakPolarHBondContact CA-O 3.47Å; Y241-F318 HydrophobicContact CD1-CD1 4.36Å; Y241-F318 AromaticContact CD1-CE1 3.5Å; Y241-F318 HydrophobicContact CD1-CE1 3.5Å; Y241-F318 AromaticContact CD1-CZ 3.69Å; Y241-F318 HydrophobicContact CD1-CZ 3.69Å; Y241-F318 HydrophobicContact CE1-CE1 4.32Å; Y241-F318 HydrophobicContact CG-CE1 4.29Å; Y241-F318 HydrophobicContact CG-CZ 4.12Å; Y241-F318 PolarHBondContact N-O 3.36Å; Y241-F318 PolarHBondContact O-N 2.88Å; F318-I320 HydrophobicContact CD2-CG1 4.4Å; F318-I320 HydrophobicContact CE2-CG1 4.08Å
319L96Very high82.1Confident29 Ų2989.4 Ų89.415%0.15244%0.439CS..EExtended strand (participates in β ladder)trans-71126.4174.1-179.268.4000110.1S195 V236 Y240 Y321 A322S195-L319 PolarHBondContact O-N 2.79Å; V236-L319 HydrophobicContact CB-CD2 4.32Å; V236-L319 HydrophobicContact CG1-CD2 3.72Å; Y240-L319 HydrophobicContact CD1-CB 4.19Å; Y240-L319 HydrophobicContact CD2-CD1 4Å; Y240-L319 HydrophobicContact CE1-CB 3.71Å; Y240-L319 HydrophobicContact CE1-CD1 4.18Å; Y240-L319 HydrophobicContact CE2-CD1 3.53Å; L319-Y321 VanDerWaalsContact CD1-O 3.31Å; L319-Y321 WeakPolarHBondContact CD1-O 3.36Å; L319-A322 HydrophobicContact CD2-CB 4.04Å
320I94Very high79.6Confident65 Ų6589.4 Ų89.433%0.33346%0.46SS..EExtended strand (participates in β ladder)trans-92.3-53173.7-52.3171.7000109.5I239 I283 F318I239-I320 HydrophobicContact CG2-CD1 4.28Å; I239-I320 WeakPolarHBondContact O-CB 3.32Å; I239-I320 PolarHBondContact O-N 2.9Å; I283-I320 HydrophobicContact CD1-CD1 4.41Å; I283-I320 HydrophobicContact CG1-CD1 4.36Å; F318-I320 HydrophobicContact CD2-CG1 4.4Å; F318-I320 HydrophobicContact CE2-CG1 4.08Å
321Y90.8Very high79.2Confident164 Ų16486.6 Ų86.664%0.64346%0.455SS*.EExtended strand (participates in β ladder)trans-132.8119.8-179.1-60.3-64.6000109G238 I239 L319G238-Y321 CarbonylContact C-O 3.53Å; G238-Y321 VanDerWaalsContact CA-O 3.24Å; G238-Y321 WeakPolarHBondContact CA-O 3.4Å; I239-Y321 HydrophobicContact CB-CD2 4.38Å; I239-Y321 PolarHBondContact N-O 2.89Å; I239-Y321 PolarHBondContact O-N 3.32Å; L319-Y321 VanDerWaalsContact CD1-O 3.31Å; L319-Y321 WeakPolarHBondContact CD1-O 3.36Å
322A89.8Confident78.7Confident43 Ų4390.5 Ų90.536%0.35548%0.476SS..EExtended strand (participates in β ladder)trans-71138.8166.400000108.8V236 L319 Q324V236-A322 HydrophobicContact CG1-CB 4.31Å; L319-A322 HydrophobicContact CD2-CB 4.04Å; A322-Q324 PolarHBondContact O-N 2.76Å
323D86.2Confident78Confident88 Ų8891.6 Ų91.647%0.47148%0.481SS..PPolyproline II helixtrans-62.8133164.8-70.2-19.9000107.6P237 D325P237-D323 HydrophobicContact CB-CB 4.44Å; P237-D323 PolarHBondContact O-N 2.97Å; D323-D325 PolarHBondContact O-N 3.43Å
324Q74.1Confident76.9Confident181 Ų18197 Ų9785%0.84651%0.51SS*.PPolyproline II helixtrans-76.2119.6173-68.8-176.9-8.200107A322 D326A322-Q324 PolarHBondContact O-N 2.76Å; Q324-D326 VanDerWaalsContact C-N 3.3Å; Q324-D326 PolarHBondContact O-N 3.35Å
325D60.2Low75.6Confident143 Ų143100.3 Ų100.377%0.76553%0.527SS*.  trans-61.898.5164.4-66.2-42000106.3D323 P327D323-D325 PolarHBondContact O-N 3.43Å; D325-P327 WeakPolarHBondContact O-CD 3.46Å; D325-P327 WeakPolarHBondContact O-CG 3.43Å
326D48.2Very low74.1Confident125 Ų125107 Ų10767%0.66856%0.562SS**  trans-71.9106.7178.2-144.2-20.5000107.3Q324 N328Q324-D326 VanDerWaalsContact C-N 3.3Å; Q324-D326 PolarHBondContact O-N 3.35Å; D326-N328 PolarHBondContact O-N 3.48Å
327P53.8Low72.4Confident114 Ų114112.5 Ų112.574%0.7459%0.589SS**THydrogen-bonded Turntrans-75.85.2-171.7-1229.8000113.3D325D325-P327 WeakPolarHBondContact O-CD 3.46Å; D325-P327 WeakPolarHBondContact O-CG 3.43Å
328N42.2Very low70.4Confident140 Ų140121.2 Ų121.275%0.74963%0.634SS**THydrogen-bonded Turntrans-108.512.8-170.7-70.7-33.3000114.2D326 V330D326-N328 PolarHBondContact O-N 3.48Å; N328-V330 PolarHBondContact O-N 3.23Å
329E43.1Very low68.1Low186 Ų186124.1 Ų124.187%0.86966%0.656SS**  trans-91.871.1172.8-151.9178.3-154.700110.8
330V39.4Very low65.6Low211 Ų211132.7 Ų132.7100%1.27970%0.702SS**  trans-142.90161.8-174.60000110.3N328N328-V330 PolarHBondContact O-N 3.23Å

Retrieved 330 of 330 residues in 325.3 ms (Link to these results)