A0A087X4D7_POEFO Loading...

T-box transcription factor 18

AlphaFold DB , UniProt , Accession A0A087X4D7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 517 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.7Very low43.4Very low244 Ų244162.1 Ų162.1100%1.20286%0.856SS**  0152.50-82-177.716700109.2
2A39.1Very low44.1Very low93 Ų93156.1 Ų156.177%0.76984%0.837SS**  trans53.795.916200000118.7
3E41.2Very low44.8Very low173 Ų173154.6 Ų154.681%0.80884%0.836SS**  trans-57.1145.1138.3-78.7178.774.300109.6
4K42Very low45.4Very low200 Ų200157.1 Ų157.187%0.8784%0.835SS**  trans-123.483.5172-164170-173.2173.70111R6K4-R6 PolarHBondContact O-N 2.69Å
5R41.8Very low45.8Very low220 Ų220150.8 Ų150.883%0.8381%0.814SS**PPolyproline II helixtrans-53.3131.9169.4-68.2-175.3174.9-156.8-2109.5
6R45.2Very low46Very low244 Ų244149.9 Ų149.992%0.92180%0.803SS**PPolyproline II helixtrans-83.4129.9169.3-75.7-176.6172.8-178.9-1.7109.2K4K4-R6 PolarHBondContact O-N 2.69Å
7S46.5Very low46.3Very low110 Ų110145.2 Ų145.277%0.76979%0.789SS**PPolyproline II helixtrans-66.1146.6174.6-46.20000111.3
8P43.7Very low46.7Very low127 Ų127147.5 Ų147.583%0.82579%0.791SS**PPolyproline II helixtrans-65.4144168.929.1-34.2000110.5
9C43.4Very low47.1Very low120 Ų120141.9 Ų141.981%0.81177%0.765SS**PPolyproline II helixtrans-78.2129.5177.2-168.50000110.2
10A49.1Very low47Very low96 Ų96140.2 Ų140.279%0.79376%0.759SS**PPolyproline II helixtrans-74.9125.1176.500000110.7
11L49Very low47.4Very low156 Ų156141.2 Ų141.282%0.81776%0.759SS**PPolyproline II helixtrans-78.2153.2175.2-67.5175.7000111.4
12S51.2Low48.4Very low90 Ų90132.7 Ų132.763%0.62973%0.727SS**PPolyproline II helixtrans-59.9141.3-177.4179.30000112.6K14 A15S12-K14 PolarHBondContact O-N 2.77Å; S12-A15 WeakPolarHBondContact O-CB 3.41Å; S12-A15 PolarHBondContact O-N 3.33Å
13V54.2Low48.8Very low137 Ų137135.5 Ų135.583%0.8373%0.729SS**G310 helixtrans-50-28.7178.6-176.90000112.7A15 H16V13-A15 PolarHBondContact O-N 3.39Å; V13-H16 PolarHBondContact O-N 3.15Å
14K52.8Low49.6Very low189 Ų189133.4 Ų133.482%0.82272%0.722SS**G310 helixtrans-68.7-10.6178.9-148.3170.9-173.6176.30114.5S12S12-K14 PolarHBondContact O-N 2.77Å
15A51.1Low49.6Very low63 Ų63127.2 Ų127.252%0.52171%0.714SS.*G310 helixtrans-87.2-18.2178.600000114.2S12 V13 A17S12-A15 WeakPolarHBondContact O-CB 3.41Å; S12-A15 PolarHBondContact O-N 3.33Å; V13-A15 PolarHBondContact O-N 3.39Å; A15-A17 VanDerWaalsContact C-N 3.27Å; A15-A17 PolarHBondContact O-N 3.38Å
16H49.3Very low49.7Very low137 Ų137121.6 Ų121.663%0.63472%0.715SS**G310 helixtrans-77.1-10.4-170.1-137.7-72.2000114.6V13 F18 S19V13-H16 PolarHBondContact O-N 3.15Å; H16-F18 PolarHBondContact O-N 2.99Å; H16-S19 PolarHBondContact O-N 3.17Å
17A51.1Low49.4Very low69 Ų69118.4 Ų118.457%0.5771%0.711SS**G310 helixtrans-72.3-1.7-176.800000115.1A15A15-A17 VanDerWaalsContact C-N 3.27Å; A15-A17 PolarHBondContact O-N 3.38Å
18F54Low48.9Very low187 Ų187123 Ų12382%0.8272%0.716SS**G310 helixtrans-122.214.6179.9-62.1-77.7000113.5H16H16-F18 PolarHBondContact O-N 2.99Å
19S52.9Low48.4Very low42 Ų42127.9 Ų127.929%0.29472%0.718SS.*SBendtrans-71.2148.2169.2-173.60000111H16 E21 A22H16-S19 PolarHBondContact O-N 3.17Å; S19-E21 PolarHBondContact O-N 3.13Å; S19-A22 WeakPolarHBondContact O-CB 3.45Å; S19-A22 PolarHBondContact O-N 2.82Å
20V46.6Very low47.8Very low107 Ų107133 Ų13365%0.64872%0.721SS**Hα-helixtrans-59.3-36179.41800000111.6A22 L23 I24V20-A22 PolarHBondContact O-N 3.33Å; V20-L23 PolarHBondContact O-N 3.32Å; V20-L23 VanDerWaalsContact O-N 3.1Å; V20-I24 HydrophobicContact CG1-CD1 4.09Å; V20-I24 PolarHBondContact O-N 2.8Å
21E54.4Low47Very low162 Ų162140 Ų14076%0.75773%0.727SS**Hα-helixtrans-63.4-22.8175.8-63.6178.1125.300113.6S19S19-E21 PolarHBondContact O-N 3.13Å
22A57.3Low46.2Very low64 Ų64138.8 Ų138.853%0.52973%0.726SS.*Hα-helixtrans-83.9-15.6177.100000112.9S19 V20S19-A22 WeakPolarHBondContact O-CB 3.45Å; S19-A22 PolarHBondContact O-N 2.82Å; V20-A22 PolarHBondContact O-N 3.33Å
23L48.4Very low45.2Very low153 Ų153140.6 Ų140.680%0.80174%0.739SS**Hα-helixtrans-96.3-21.8-177.8-137.976000113.2V20 G25V20-L23 PolarHBondContact O-N 3.32Å; V20-L23 VanDerWaalsContact O-N 3.1Å; L23-G25 PolarHBondContact O-N 2.87Å
24I57.7Low44.1Very low129 Ų129137.3 Ų137.366%0.66273%0.732SS**SBendtrans-97.288.4177-55175.3000107.9V20 A26V20-I24 HydrophobicContact CG1-CD1 4.09Å; V20-I24 PolarHBondContact O-N 2.8Å; I24-A26 PolarHBondContact O-N 3.48Å
25G41.7Very low43.2Very low69 Ų69137.8 Ų137.871%0.71174%0.737SS**PPolyproline II helixtrans-59.5125-174.300000113.3L23 E27L23-G25 PolarHBondContact O-N 2.87Å; G25-E27 PolarHBondContact O-N 3.25Å
26A43Very low42.3Very low103 Ų103142.6 Ų142.685%0.85175%0.754SS**PPolyproline II helixtrans-66.3124.5-179.300000112.4I24 K28I24-A26 PolarHBondContact O-N 3.48Å; A26-K28 PolarHBondContact O-N 3.47Å
27E40.4Very low41.7Very low177 Ų177143 Ų14383%0.82777%0.766SS**PPolyproline II helixtrans-65.3125.1177.6-70.1-162.9132.800112.3G25 R29G25-E27 PolarHBondContact O-N 3.25Å; E27-R29 VanDerWaalsContact C-N 3.33Å; E27-R29 PolarHBondContact O-N 3.36Å
28K34.5Very low40.8Very low205 Ų205144 Ų14489%0.89177%0.774SS**  trans-78.971.7-177.2-169.9-179.4177176.60112.3A26 R30A26-K28 PolarHBondContact O-N 3.47Å; K28-R30 PolarHBondContact O-N 3.16Å
29R34.2Very low39.8Very low230 Ų230139.5 Ų139.587%0.86877%0.771SS**  trans-68.3100.7166.1-84.1-164.6174.6-142.5-0.7110.7E27 R31E27-R29 VanDerWaalsContact C-N 3.33Å; E27-R29 PolarHBondContact O-N 3.36Å; R29-R31 PolarHBondContact O-N 3.18Å
30R31.6Very low38.9Very low229 Ų229143 Ų14386%0.86480%0.796SS**  trans-67.2105.5171.2-176-178.2-172.9175.51.2109.5K28K28-R30 PolarHBondContact O-N 3.16Å
31R31.6Very low39Very low243 Ų243144.2 Ų144.292%0.91781%0.806SS**PPolyproline II helixtrans-72.9129170.2-77.8-176.6171.6174.1-3.7110.5R29R29-R31 PolarHBondContact O-N 3.18Å
32T32.5Very low37.8Very low129 Ų129140.5 Ų140.579%0.79181%0.811SS**PPolyproline II helixtrans-101.7143.3151.643.60000108
33S30.5Very low36.4Very low129 Ų129141 Ų14190%0.90282%0.823SS**PPolyproline II helixtrans-89.6141.7179.748.40000111.8
34G30.2Very low35.6Very low67 Ų67143.6 Ų143.669%0.69182%0.823SS**  trans173.290.6174.400000113.4
35E33.9Very low34.4Very low199 Ų199146.1 Ų146.193%0.9383%0.832SS**  trans54.5136.6154.4-69.5159.310100122.1
36D32.5Very low33.8Very low164 Ų164146.2 Ų146.288%0.87783%0.833SS**  trans-102.3133.3175.9-63.2-80000111.8
37V35.7Very low33.3Very low147 Ų147144.5 Ų144.589%0.89183%0.826SS**  trans-142.2136152.2-179.10000112
38A32.5Very low32.9Very low89 Ų89143.4 Ų143.474%0.73683%0.826SS**  trans-24.6123175.400000121.7
39A33.2Very low32.9Very low92 Ų92139.9 Ų139.976%0.7682%0.817SS**  64.2133.6109.600000124.5
40S34.8Very low33Very low117 Ų117134.3 Ų134.382%0.81881%0.808SS**  trans101.6147.9141.4-66.70000120.9
41P48.7Very low33.2Very low132 Ų132128.3 Ų128.386%0.85780%0.801SS**  trans-132.4170.6-157.941.5-23.2000116.8
42G29.1Very low33Very low83 Ų83123.1 Ų123.186%0.85679%0.792SS**  trans151.8142.5161.100000114.1
43G27.4Very low33.1Very low75 Ų75123 Ų12377%0.77379%0.785SS**  trans15798175.200000115.7
44Y31Very low33.1Very low207 Ų207123.5 Ų123.581%0.81278%0.783SS**  trans-77171.7155.551.1-91.3000108.6
45E33.2Very low33Very low182 Ų182124 Ų12485%0.8579%0.789SS**  cis-143.5-17317.9-112.9163.7132.700107.9
46G30.4Very low33.1Very low71 Ų71120.4 Ų120.473%0.73279%0.785SS**  cis155.3146.7-0.500000111.8
47G32.5Very low33.8Very low68 Ų68118.2 Ų118.270%0.70178%0.78SS**  trans88.2140.8176.900000115.6
48N31.2Very low33.6Very low153 Ų153115.4 Ų115.482%0.81877%0.772SS**  cis64.913738.7-6677.5000112.7
49D33.3Very low33.5Very low132 Ų132119 Ų11971%0.70678%0.778SS**  cis-163.5172.512-127.8-158.1000109.3
50V36.4Very low33.4Very low112 Ų112126.7 Ų126.768%0.67979%0.788SS**  cis-163.4-170.61.371.70000111
51S35.8Very low33Very low104 Ų104125 Ų12573%0.72779%0.788SS**  trans-9.4164.3156.5-68.90000122.7
52D29.2Very low32.1Very low134 Ų134122.6 Ų122.672%0.71779%0.788SS**  cis-179.4179.3-14.8-178.422.7000108.9
53L34.2Very low32.2Very low126 Ų126130 Ų13066%0.6679%0.79SS**  trans83.8116.1156.5-60.3-176000123.1
54T30.8Very low32.5Very low140 Ų140130.9 Ų130.986%0.85979%0.79SS**  trans74144.6135.161.30000122.6
55G27.6Very low32.5Very low78 Ų78126.5 Ų126.580%0.80479%0.789SS**  trans125.9110149.600000117.7
56S34.7Very low32.5Very low123 Ų123123.2 Ų123.286%0.8679%0.786SS**  trans-125.4167.1159.5-57.30000107.8
57P48.5Very low32.9Very low117 Ų117125.2 Ų125.276%0.7679%0.788SS**  cis-142.2177.27.644.3-26.7000117.7
58A30.8Very low32.8Very low88 Ų88127.5 Ų127.573%0.72778%0.784SS**  trans88.4148.1137.300000124.8
59L31.4Very low32.9Very low166 Ų166130.8 Ų130.887%0.86979%0.785SS**  trans96.5138153.2-66.5178.3000122.8
60R29.9Very low32.6Very low253 Ų253127.8 Ų127.896%0.95579%0.786SS**  trans63.7142.9176.1-61.4-176.8172.5-152-2.5115.5
61G27.6Very low32.5Very low81 Ų81127.7 Ų127.784%0.83579%0.79SS**  cis169.7153.8-5.700000108.1
62G30Very low32.6Very low82 Ų82130.7 Ų130.785%0.84579%0.793SS**  cis1258310.700000110.5
63R31.1Very low32.9Very low237 Ų237128.3 Ų128.389%0.89479%0.791SS**  trans-155.6136.3175-152.2172.9-174.5-175.51.4113.8
64A33.4Very low33Very low95 Ų95131.1 Ų131.179%0.78580%0.801SS**  trans-130169.3161.500000108.2
65C30.2Very low33.1Very low115 Ų115129.2 Ų129.278%0.77779%0.793SS**  trans-146.9161.6171-93.60000111.1
66S33.3Very low33.2Very low113 Ų113131.7 Ų131.779%0.7979%0.792SS**  trans-150.4147.7-168.153.10000112.7
67S38.1Very low33.4Very low112 Ų112131.2 Ų131.278%0.78379%0.789SS**  trans25.7128.9147.8-172.30000121.1
68D30.8Very low32.5Very low116 Ų116133.2 Ų133.262%0.6279%0.793SS**  -163163.2117.4-138-17.3000113.7
69R33.3Very low32.5Very low222 Ų222132.5 Ų132.584%0.83879%0.794SS**  trans28.2156.4158.2-68.5151.8-140.3-116.31122.3
70G28.3Very low32.8Very low70 Ų70130.1 Ų130.172%0.72279%0.792SS**  cis137.11501.200000112.8
71S34.5Very low33.9Very low110 Ų110122.2 Ų122.277%0.76977%0.773SS**  trans106.2142.4166.9-75.50000122.9
72E36.8Very low34.2Very low167 Ų167126.8 Ų126.878%0.7877%0.773SS**  trans-28.9166.8171.244.5-105.764.400122.4
73A36.7Very low34.4Very low83 Ų83127.9 Ų127.969%0.68677%0.767SS**  cis-170.4172.7-9.500000113.5
74E35.2Very low34.5Very low186 Ų186123.9 Ų123.987%0.86976%0.759SS**  trans61.8155.5153.6-79.7-169.599.300121.7
75C33.6Very low34.4Very low100 Ų100126.6 Ų126.668%0.67676%0.76SS**  cis-165.3-173.6-22.2-159.30000110.5
76T29.9Very low34.7Very low130 Ų130124.3 Ų124.380%0.79875%0.75SS**  trans73.6130.5179.667.60000116
77S37.1Very low34.7Very low112 Ų112126.9 Ų126.978%0.78375%0.753SS**  cis78.9134.244.8-150.50000112.2
78D31.1Very low34.7Very low160 Ų160129 Ų12986%0.85676%0.755SS**  cis-152171.324.3-174.819000111.7
79G29.5Very low34.6Very low73 Ų73132 Ų13275%0.75377%0.765SS**  trans143104.4164.600000117.8
80S39.1Very low34.7Very low116 Ų116126.1 Ų126.181%0.81176%0.759SS**  trans-124.6-177.4169.4-143.10000108.6
81P52.8Low35Very low87 Ų87128.2 Ų128.257%0.56576%0.759SS**  cis-140.7-175.32.344.7-26.5000116.8
82E32.9Very low35.3Very low176 Ų176131.9 Ų131.982%0.82277%0.765SS**  trans58140149.1-70.2147.6163.900119.8
83S33.8Very low35.3Very low105 Ų105130.1 Ų130.173%0.73477%0.768SS**  cis-145173.535.166.30000116.1
84E35.1Very low35.2Very low154 Ų154130.5 Ų130.572%0.7277%0.77SS**  trans-60.9173.2165.462-97.754.100113.9
85D30.7Very low35.2Very low151 Ų151127.2 Ų127.281%0.80777%0.768SS**  cis-159174.921.2-162.99.1000114
86A35.1Very low35Very low68 Ų68128.7 Ų128.756%0.56277%0.774SS**  trans80.6102.1144.300000123.4
87L33.9Very low35.5Very low166 Ų166130.8 Ų130.887%0.86978%0.78SS**  90.4144.3127-63.7171000123.6
88L37.6Very low35.3Very low157 Ų157130.9 Ų130.982%0.82278%0.779SS**  trans76.769.7165.5-56-175.4000120.5
89E30Very low35.8Very low178 Ų178128.6 Ų128.683%0.83278%0.782SS**  23.2134.3103.2-165.6168.5-174.600118.6
90S34.1Very low36.1Very low100 Ų100129.8 Ų129.870%0.69979%0.785SS**  cis-151.51667.9-129.30000112.6
91P36.1Very low35.9Very low113 Ų113128.5 Ų128.573%0.73478%0.781SS**  trans-102.6-176.1-171.241.1-36.4000115.6
92Q41.2Very low35.4Very low188 Ų188130.6 Ų130.688%0.87980%0.795SS**  trans-64.1144.4164.1-57.1175-94.300111.9
93P35.7Very low35.5Very low130 Ų130125.7 Ų125.784%0.84479%0.791SS**  trans-99.5141.416135-29.5000112.1
94A34.4Very low36Very low90 Ų90126.1 Ų126.174%0.74480%0.801SS**  trans-128.5145.9163.200000109.8
95S36Very low36Very low117 Ų117122 Ų12282%0.81880%0.8SS**  trans49.1104.1164.356.20000119
96T29.1Very low36.6Very low131 Ų131121 Ų12180%0.80481%0.805SS**  trans-116.9127.1146.5-58.80000108.7
97L40.9Very low37.3Very low175 Ų175121.1 Ų121.192%0.91681%0.813SS**  trans-83.4118.7172.4-76.3164000109.8
98C31.4Very low38.8Very low114 Ų114120.3 Ų120.377%0.7781%0.805SS**  trans-121.8110.9167.8-74.40000109.5A100C98-A100 PolarHBondContact O-N 3.39Å
99A42.2Very low41.1Very low112 Ų112118.9 Ų118.993%0.92679%0.794SS**  trans-76.2102.4173.400000109.9
100A35.2Very low44.2Very low98 Ų98110.7 Ų110.781%0.8176%0.756SS**  trans-78.8131.3169.300000110.1C98C98-A100 PolarHBondContact O-N 3.39Å
101A35.8Very low47.1Very low88 Ų88113.1 Ų113.173%0.72775%0.75SS**  trans-65.6151.9171.500000110.8G103A101-G103 PolarHBondContact O-N 2.92Å
102P43.2Very low50Low132 Ų132108.4 Ų108.486%0.85772%0.719SS**  trans-69.396.8-179.728.3-34.6000111A104P102-A104 PolarHBondContact O-N 3.29Å
103G34.3Very low52.7Low72 Ų72103.8 Ų103.874%0.74270%0.697SS**  trans-61.2125.5166.900000109.9A101 G105A101-G103 PolarHBondContact O-N 2.92Å; G103-G105 VanDerWaalsContact C-N 3.27Å; G103-G105 PolarHBondContact O-N 3.03Å
104A44.5Very low55.7Low114 Ų11498.3 Ų98.394%0.94266%0.661SS**  trans-75.273.1-173.200000112.7P102P102-A104 PolarHBondContact O-N 3.29Å
105G35.6Very low58.7Low68 Ų6897.1 Ų97.170%0.70164%0.64SS**  trans-10693.616700000110.5G103 G107G103-G105 VanDerWaalsContact C-N 3.27Å; G103-G105 PolarHBondContact O-N 3.03Å; G105-G107 PolarHBondContact O-N 3.47Å
106S43.3Very low61.6Low129 Ų12993.9 Ų93.990%0.90263%0.625SS**  trans-77.753.7177.562.50000112.4E108S106-E108 PolarHBondContact O-N 3.29Å
107G49.2Very low64.8Low71 Ų7189 Ų8973%0.73260%0.596SS**  trans-81.8108.3169.100000109.5G105 E109G105-G107 PolarHBondContact O-N 3.47Å; G107-E109 PolarHBondContact O-N 3.1Å
108E65.9Low67.5Low149 Ų14985.7 Ų85.770%0.69658%0.579SS**PPolyproline II helixtrans-61.7126.6169.8-73.6-157.4137.200109.9S106 T110 G149S106-E108 PolarHBondContact O-N 3.29Å; E108-T110 PolarHBondContact O-N 3.16Å; E108-G149 WeakPolarHBondContact OE2-CA 3.4Å
109E85.9Confident70.7Confident128 Ų12882.3 Ų82.360%0.59855%0.553SS**PPolyproline II helixtrans-66.9121.7171.7-179.7-173.1-140.400109.4G107 R111G107-E109 PolarHBondContact O-N 3.1Å; E109-R111 PolarHBondContact O-N 2.87Å; E109-R111 VanDerWaalsContact O-N 3.15Å; E109-R111 IonicContact OE2-CZ 3.91Å; E109-R111 IonicContact OE2-NE 3.31Å; E109-R111 PolarHBondContact OE2-NE 3.19Å; E109-R111 IonicContact OE2-NH2 2.87Å; E109-R111 PolarHBondContact OE2-NH2 3.41Å
110T93.3Very high73.4Confident5 Ų577 Ų773%0.03151%0.509CS..PPolyproline II helixtrans-60.7119.8178.3-54.80000111.1E108 I147 T148 G149 L150 R265 F267E108-T110 PolarHBondContact O-N 3.16Å; T110-I147 HydrophobicContact CG2-CG2 4.09Å; T110-T148 CarbonylContact C-O 3.57Å; T110-T148 VanDerWaalsContact CA-O 3.32Å; T110-T148 WeakPolarHBondContact CA-O 3.17Å; T110-G149 VanDerWaalsContact CA-O 3.24Å; T110-G149 WeakPolarHBondContact CA-O 3.45Å; T110-G149 WeakPolarHBondContact CB-O 3.49Å; T110-G149 PolarHBondContact N-O 2.71Å; T110-G149 PolarHBondContact OG1-O 3.36Å; T110-L150 HydrophobicContact CG2-CD2 3.49Å; T110-L150 VanDerWaalsContact CG2-CD2 3.49Å; T110-L150 HydrophobicContact CG2-CG 4.33Å; T110-R265 PolarHBondContact OG1-NE 3.31Å; T110-R265 PolarHBondContact OG1-NH1 3.14Å; T110-R265 PolarHBondContact OG1-NH2 2.87Å; T110-R265 VanDerWaalsContact OG1-NH2 3.1Å; T110-F267 HydrophobicContact CG2-CZ 4.23Å; T110-F267 WeakPolarHBondContact O-CZ 3.46Å
111R95.6Very high76.4Confident151 Ų15176.5 Ų76.557%0.5749%0.489SS*.EExtended strand (participates in β ladder)trans-116.2143.8179-72166.4-176.1-177.82.1110.7E109 I147 T148E109-R111 PolarHBondContact O-N 2.87Å; E109-R111 VanDerWaalsContact O-N 3.15Å; E109-R111 IonicContact OE2-CZ 3.91Å; E109-R111 IonicContact OE2-NE 3.31Å; E109-R111 PolarHBondContact OE2-NE 3.19Å; E109-R111 IonicContact OE2-NH2 2.87Å; E109-R111 PolarHBondContact OE2-NH2 3.41Å; R111-I147 WeakPolarHBondContact O-CA 3.48Å; R111-T148 PolarHBondContact N-O 3.37Å; R111-T148 PolarHBondContact O-N 3Å
112V97.6Very high79.4Confident15 Ų1578 Ų789%0.09148%0.476CS..EExtended strand (participates in β ladder)trans-128.5116.4180-176.30000108.9V145 K146 I147 V243 F267 F269V112-V145 HydrophobicContact CG1-CB 3.61Å; V112-V145 HydrophobicContact CG1-CG1 3.78Å; V112-V145 HydrophobicContact CG1-CG2 3.95Å; V112-K146 CarbonylContact C-O 3.58Å; V112-K146 WeakPolarHBondContact CA-O 3.48Å; V112-I147 HydrophobicContact CG1-CG1 4.47Å; V112-I147 HydrophobicContact CG2-CG1 4.3Å; V112-I147 HydrophobicContact CG2-CG2 4.26Å; V112-V243 HydrophobicContact CG2-CG2 4.22Å; V112-F267 HydrophobicContact CB-CB 4.26Å; V112-F267 HydrophobicContact CB-CD1 3.91Å; V112-F267 HydrophobicContact CB-CD2 4.13Å; V112-F267 HydrophobicContact CB-CE1 4.27Å; V112-F267 HydrophobicContact CB-CE2 4.48Å; V112-F267 HydrophobicContact CB-CG 3.83Å; V112-F267 HydrophobicContact CG2-CD1 3.91Å; V112-F267 HydrophobicContact CG2-CD2 3.5Å; V112-F267 HydrophobicContact CG2-CE1 3.9Å; V112-F267 HydrophobicContact CG2-CE2 3.5Å; V112-F267 VanDerWaalsContact CG2-CE2 3.5Å; V112-F267 HydrophobicContact CG2-CG 3.72Å; V112-F267 HydrophobicContact CG2-CZ 3.7Å; V112-F269 HydrophobicContact CB-CZ 4.49Å; V112-F269 HydrophobicContact CG1-CE2 4.47Å; V112-F269 HydrophobicContact CG1-CZ 4.08Å; V112-F269 WeakPolarHBondContact O-CZ 3.37Å
113E98Very high82Confident90 Ų9071.7 Ų71.742%0.42144%0.435SS..EExtended strand (participates in β ladder)trans-105.5120.1-175.4-59.9177.7141.100110.8Q115 V145 K146E113-Q115 PolarHBondContact O-N 3.43Å; E113-Q115 PolarHBondContact O-NE2 2.96Å; E113-V145 WeakPolarHBondContact O-CA 3.47Å; E113-K146 HydrophobicContact CB-CB 4.39Å; E113-K146 PolarHBondContact N-O 2.83Å; E113-K146 PolarHBondContact O-N 3.04Å; E113-K146 WeakPolarHBondContact OE2-CD 3.48Å; E113-K146 IonicContact OE2-NZ 3.33Å; E113-K146 PolarHBondContact OE2-NZ 3.29Å
114L98.4Very high85.1Confident15 Ų1572.2 Ų72.28%0.07942%0.418CS..EExtended strand (participates in β ladder)trans-66.3115.1175.3179.867.4000111.5W120 M143 F269 E271 T272L114-W120 HydrophobicContact CD2-CB 4.33Å; L114-W120 HydrophobicContact CD2-CG 4.18Å; L114-M143 HydrophobicContact CD1-CE 4.12Å; L114-M143 HydrophobicContact CD1-SD 4.08Å; L114-F269 HydrophobicContact CB-CD1 3.74Å; L114-F269 HydrophobicContact CB-CD2 4.23Å; L114-F269 HydrophobicContact CB-CE1 3.79Å; L114-F269 HydrophobicContact CB-CE2 4.27Å; L114-F269 HydrophobicContact CB-CG 3.96Å; L114-F269 HydrophobicContact CB-CZ 4.06Å; L114-F269 HydrophobicContact CD1-CD2 4.33Å; L114-F269 HydrophobicContact CD2-CB 4Å; L114-F269 HydrophobicContact CD2-CD1 4.44Å; L114-F269 HydrophobicContact CD2-CG 4.12Å; L114-F269 HydrophobicContact CG-CG 4.45Å; L114-E271 HydrophobicContact CD2-CG 3.79Å; L114-T272 HydrophobicContact CD1-CG2 4.09Å; L114-T272 HydrophobicContact CD2-CG2 3.56Å
115Q98.2Very high87.6Confident66 Ų6673.8 Ų73.831%0.30841%0.406SS..THydrogen-bonded Turntrans-85.6128.5-177.8-63.3-62.1-51.900111.1E113 R144 K146 V210E113-Q115 PolarHBondContact O-N 3.43Å; E113-Q115 PolarHBondContact O-NE2 2.96Å; Q115-R144 HydrophobicContact CB-CB 4.09Å; Q115-R144 PolarHBondContact N-O 3.07Å; Q115-K146 HydrophobicContact CG-CB 4.11Å; Q115-V210 HydrophobicContact CB-CG1 4.09Å; Q115-V210 HydrophobicContact CG-CG1 3.76Å; Q115-V210 HydrophobicContact CG-CG2 3.92Å
116G95.9Very high90.5Very high48 Ų4873 Ų7350%0.49539%0.385SS..THydrogen-bonded Turntrans76.528.1-173.500000113.9D118 L119 W120G116-D118 PolarHBondContact O-N 3.19Å; G116-L119 WeakPolarHBondContact O-CB 3.49Å; G116-L119 PolarHBondContact O-N 3.45Å; G116-W120 PolarHBondContact O-N 2.83Å
117S96.9Very high93.1Very high30 Ų3068 Ų6821%0.2135%0.354CS..Hα-helixtrans-50.8-35.6178.154.70000113.7L119 W120 K121S117-L119 PolarHBondContact O-N 2.89Å; S117-W120 WeakPolarHBondContact O-CA 3.43Å; S117-W120 WeakPolarHBondContact O-CB 3.45Å; S117-W120 PolarHBondContact O-N 3.29Å; S117-K121 WeakPolarHBondContact O-CG 3.39Å; S117-K121 PolarHBondContact O-N 3.33Å
118D97.9Very high95.5Very high105 Ų10564.8 Ų64.856%0.56132%0.32SS*.Hα-helixtrans-64.3-20176.3-58.2-29.5000114.8G116 R122G116-D118 PolarHBondContact O-N 3.19Å; D118-R122 WeakPolarHBondContact O-CD 3.48Å; D118-R122 VanDerWaalsContact O-CG 3.26Å; D118-R122 WeakPolarHBondContact O-CG 3.32Å; D118-R122 PolarHBondContact O-NE 3.42Å; D118-R122 VanDerWaalsContact O-NE 3.08Å
119L98Very high97Very high42 Ų4257.7 Ų57.722%0.2229%0.287CS..Hα-helixtrans-84.9-37.8171.1-178.161.2000110.7G116 S117 F123 F140 P141 R292G116-L119 WeakPolarHBondContact O-CB 3.49Å; G116-L119 PolarHBondContact O-N 3.45Å; S117-L119 PolarHBondContact O-N 2.89Å; L119-F123 HydrophobicContact CD1-CD2 4.25Å; L119-F123 HydrophobicContact CD1-CE2 3.88Å; L119-F123 HydrophobicContact CG-CD2 4.25Å; L119-F123 HydrophobicContact CG-CE2 4.09Å; L119-F123 VanDerWaalsContact O-CD2 3.3Å; L119-F123 WeakPolarHBondContact O-CD2 3.39Å; L119-F123 PolarHBondContact O-N 3.15Å; L119-F140 HydrophobicContact CD2-CZ 4.18Å; L119-P141 HydrophobicContact CD2-CB 4.16Å; L119-P141 HydrophobicContact CD2-CG 3.87Å; L119-P141 HydrophobicContact CG-CG 3.83Å; L119-R292 HydrophobicContact CD1-CB 4.06Å; L119-R292 HydrophobicContact CD1-CG 3.87Å
120W98.5Very high97.6Very high1 Ų151.8 Ų51.80%0.00426%0.259CS..Hα-helixtrans-62.2-47.1174-79.3104000111.8L114 G116 S117 R122 F123 H124 T128 M130 P141 M143 E271 T272L114-W120 HydrophobicContact CD2-CB 4.33Å; L114-W120 HydrophobicContact CD2-CG 4.18Å; G116-W120 PolarHBondContact O-N 2.83Å; S117-W120 WeakPolarHBondContact O-CA 3.43Å; S117-W120 WeakPolarHBondContact O-CB 3.45Å; S117-W120 PolarHBondContact O-N 3.29Å; W120-R122 PolarHBondContact O-N 3.12Å; W120-F123 WeakPolarHBondContact O-CA 3.49Å; W120-F123 PolarHBondContact O-N 2.79Å; W120-H124 WeakPolarHBondContact O-CB 3.29Å; W120-H124 PolarHBondContact O-N 3.35Å; W120-T128 HydrophobicContact CZ3-CG2 4.35Å; W120-M130 HydrophobicContact CH2-CE 3.5Å; W120-M130 HydrophobicContact CZ3-CE 3.69Å; W120-P141 HydrophobicContact CD2-CB 4.25Å; W120-P141 HydrophobicContact CD2-CG 4.09Å; W120-P141 HydrophobicContact CE3-CG 4.47Å; W120-P141 HydrophobicContact CG-CG 4.44Å; W120-P141 HydrophobicContact CZ2-CB 3.92Å; W120-P141 HydrophobicContact CZ2-CG 4.43Å; W120-P141 VanDerWaalsContact CZ2-O 3.31Å; W120-P141 WeakPolarHBondContact CZ2-O 3.16Å; W120-M143 HydrophobicContact CH2-CG 4.35Å; W120-M143 HydrophobicContact CH2-SD 3.98Å; W120-M143 HydrophobicContact CZ2-CG 3.96Å; W120-M143 HydrophobicContact CZ2-SD 3.5Å; W120-M143 WeakPolarHBondContact CZ2-SD 3.36Å; W120-E271 HydrophobicContact CB-CB 4.39Å; W120-E271 HydrophobicContact CB-CG 3.83Å; W120-T272 HydrophobicContact CD2-CG2 3.86Å; W120-T272 HydrophobicContact CE3-CG2 3.98Å; W120-T272 HydrophobicContact CG-CG2 4.2Å; W120-T272 HydrophobicContact CZ3-CG2 4.35Å
121K98.5Very high97.9Very high88 Ų8852.7 Ų52.738%0.38326%0.264SS..Hα-helixtrans-55.3-46.4176.8-70.3167.5-175.5171.20112.4S117 F123 H124 E125 E271S117-K121 WeakPolarHBondContact O-CG 3.39Å; S117-K121 PolarHBondContact O-N 3.33Å; K121-F123 VanDerWaalsContact C-N 3.29Å; K121-F123 PolarHBondContact O-N 2.89Å; K121-H124 WeakPolarHBondContact O-CA 3.28Å; K121-H124 WeakPolarHBondContact O-CB 3.45Å; K121-H124 PolarHBondContact O-N 3.07Å; K121-E125 VanDerWaalsContact O-CG 3.24Å; K121-E125 WeakPolarHBondContact O-CG 3.47Å; K121-E125 PolarHBondContact O-N 2.83Å; K121-E271 WeakPolarHBondContact CE-OE1 3.35Å; K121-E271 HydrophobicContact CG-CB 3.94Å; K121-E271 HydrophobicContact CG-CG 4.13Å
122R98.4Very high98Very high118 Ų11845.6 Ų45.645%0.44524%0.237SC..Hα-helixtrans-62.2-29.2174.6-66.6172.2-153.6-123.64.3114.5D118 W120 I126 L288D118-R122 WeakPolarHBondContact O-CD 3.48Å; D118-R122 VanDerWaalsContact O-CG 3.26Å; D118-R122 WeakPolarHBondContact O-CG 3.32Å; D118-R122 PolarHBondContact O-NE 3.42Å; D118-R122 VanDerWaalsContact O-NE 3.08Å; W120-R122 PolarHBondContact O-N 3.12Å; R122-I126 WeakPolarHBondContact O-CD1 3.38Å; R122-I126 WeakPolarHBondContact O-CG1 3.43Å; R122-L288 HydrophobicContact CB-CD2 4.17Å
123F98.4Very high98.1Very high0 Ų047.3 Ų47.30%025%0.248CC..Hα-helixtrans-77.2-39.2170.7-84.1-68.9000111.3L119 W120 K121 I126 G127 T128 F140 P141 I285 L288 K289L119-F123 HydrophobicContact CD1-CD2 4.25Å; L119-F123 HydrophobicContact CD1-CE2 3.88Å; L119-F123 HydrophobicContact CG-CD2 4.25Å; L119-F123 HydrophobicContact CG-CE2 4.09Å; L119-F123 VanDerWaalsContact O-CD2 3.3Å; L119-F123 WeakPolarHBondContact O-CD2 3.39Å; L119-F123 PolarHBondContact O-N 3.15Å; W120-F123 WeakPolarHBondContact O-CA 3.49Å; W120-F123 PolarHBondContact O-N 2.79Å; K121-F123 VanDerWaalsContact C-N 3.29Å; K121-F123 PolarHBondContact O-N 2.89Å; F123-I126 PolarHBondContact O-N 3.04Å; F123-G127 CarbonylContact O-C 3.51Å; F123-G127 PolarHBondContact O-N 3.2Å; F123-T128 VanDerWaalsContact C-OG1 3.23Å; F123-T128 HydrophobicContact CB-CG2 4.07Å; F123-T128 WeakPolarHBondContact CB-OG1 3.41Å; F123-T128 PolarHBondContact O-N 2.88Å; F123-T128 PolarHBondContact O-OG1 2.9Å; F123-F140 HydrophobicContact CE2-CD1 4.25Å; F123-F140 AromaticContact CE2-CE1 3.86Å; F123-F140 HydrophobicContact CE2-CE1 3.86Å; F123-F140 HydrophobicContact CZ-CD1 4.14Å; F123-F140 AromaticContact CZ-CE1 3.91Å; F123-F140 HydrophobicContact CZ-CE1 3.91Å; F123-P141 HydrophobicContact CD2-CG 3.61Å; F123-P141 HydrophobicContact CE2-CG 3.74Å; F123-I285 HydrophobicContact CD1-CD1 3.95Å; F123-I285 HydrophobicContact CD1-CG2 4.37Å; F123-I285 HydrophobicContact CE1-CG2 4.26Å; F123-L288 HydrophobicContact CD1-CD2 3.67Å; F123-L288 HydrophobicContact CD1-CG 4.24Å; F123-L288 HydrophobicContact CD2-CD2 4.14Å; F123-L288 HydrophobicContact CE1-CB 3.84Å; F123-L288 HydrophobicContact CE1-CD2 3.64Å; F123-L288 HydrophobicContact CE1-CG 3.67Å; F123-L288 HydrophobicContact CE2-CD2 4.13Å; F123-L288 HydrophobicContact CE2-CG 4.13Å; F123-L288 HydrophobicContact CG-CD2 3.91Å; F123-L288 HydrophobicContact CZ-CB 4.11Å; F123-L288 HydrophobicContact CZ-CD2 3.88Å; F123-L288 HydrophobicContact CZ-CG 3.61Å; F123-K289 HydrophobicContact CE1-CD 3.59Å; F123-K289 HydrophobicContact CE1-CG 3.92Å; F123-K289 HydrophobicContact CZ-CD 3.73Å; F123-K289 HydrophobicContact CZ-CG 4.24Å
124H98.1Very high98Very high84 Ų8450.4 Ų50.439%0.38926%0.26SS..Hα-helixtrans-64.5-43.6-179.8-169.187.9000112.6W120 K121 I126 G127 T128 P270 E271W120-H124 WeakPolarHBondContact O-CB 3.29Å; W120-H124 PolarHBondContact O-N 3.35Å; K121-H124 WeakPolarHBondContact O-CA 3.28Å; K121-H124 WeakPolarHBondContact O-CB 3.45Å; K121-H124 PolarHBondContact O-N 3.07Å; H124-I126 PolarHBondContact O-N 3.02Å; H124-I126 VanDerWaalsContact O-N 3.17Å; H124-G127 PolarHBondContact O-N 2.89Å; H124-T128 WeakPolarHBondContact CA-OG1 3.3Å; H124-T128 PolarHBondContact N-OG1 3.16Å; H124-P270 PolarHBondContact CE1-O 3.14Å; H124-P270 PolarHBondContact ND1-O 2.96Å; H124-E271 HydrophobicContact CB-CB 4.25Å; H124-E271 WeakPolarHBondContact ND1-CA 3.49Å; H124-E271 PolarHBondContact ND1-O 3.29Å
125E98.1Very high98Very high146 Ų14653.1 Ų53.168%0.68229%0.285SS*.THydrogen-bonded Turntrans-52.5-33.3173.8-73.7155.2-150.100113.1K121K121-E125 VanDerWaalsContact O-CG 3.24Å; K121-E125 WeakPolarHBondContact O-CG 3.47Å; K121-E125 PolarHBondContact O-N 2.83Å
126I97Very high98Very high51 Ų5150.5 Ų50.526%0.26228%0.275SS..THydrogen-bonded Turntrans-94.1-14.3-179.5-55.8173.4000111.3R122 F123 H124 N282 Q284 I285 L288R122-I126 WeakPolarHBondContact O-CD1 3.38Å; R122-I126 WeakPolarHBondContact O-CG1 3.43Å; F123-I126 PolarHBondContact O-N 3.04Å; H124-I126 PolarHBondContact O-N 3.02Å; H124-I126 VanDerWaalsContact O-N 3.17Å; I126-N282 VanDerWaalsContact CG2-ND2 3.29Å; I126-N282 WeakPolarHBondContact CG2-ND2 3.49Å; I126-Q284 HydrophobicContact CD1-CB 4.45Å; I126-Q284 HydrophobicContact CG2-CB 3.63Å; I126-I285 HydrophobicContact CB-CD1 3.68Å; I126-I285 HydrophobicContact CB-CG1 4.48Å; I126-I285 HydrophobicContact CG2-CD1 3.46Å; I126-I285 VanDerWaalsContact CG2-CD1 3.46Å; I126-I285 HydrophobicContact CG2-CG1 3.73Å; I126-L288 HydrophobicContact CD1-CD2 3.93Å
127G97.6Very high98.1Very high25 Ų2554.4 Ų54.426%0.25828%0.275SS..  trans86.990-17000000111.9F123 H124 E129 I285F123-G127 CarbonylContact O-C 3.51Å; F123-G127 PolarHBondContact O-N 3.2Å; H124-G127 PolarHBondContact O-N 2.89Å; G127-E129 PolarHBondContact O-N 2.95Å; G127-I285 VanDerWaalsContact O-CD1 3.3Å; G127-I285 WeakPolarHBondContact O-CD1 3.33Å
128T98.6Very high98.1Very high3 Ų359.2 Ų59.22%0.01829%0.288CS..  trans-53.7126.1-175.8-49.60000112.4W120 F123 H124 M130 V273 F274 T275W120-T128 HydrophobicContact CZ3-CG2 4.35Å; F123-T128 VanDerWaalsContact C-OG1 3.23Å; F123-T128 HydrophobicContact CB-CG2 4.07Å; F123-T128 WeakPolarHBondContact CB-OG1 3.41Å; F123-T128 PolarHBondContact O-N 2.88Å; F123-T128 PolarHBondContact O-OG1 2.9Å; H124-T128 WeakPolarHBondContact CA-OG1 3.3Å; H124-T128 PolarHBondContact N-OG1 3.16Å; T128-M130 HydrophobicContact CG2-CE 4.12Å; T128-V273 WeakPolarHBondContact CB-O 3.44Å; T128-V273 PolarHBondContact OG1-O 3.25Å; T128-F274 HydrophobicContact CG2-CB 3.65Å; T128-F274 CarbonylContact O-C 3.52Å; T128-F274 VanDerWaalsContact O-CA 3.25Å; T128-F274 WeakPolarHBondContact O-CA 3.46Å; T128-F274 WeakPolarHBondContact O-CB 3.07Å; T128-T275 PolarHBondContact O-N 2.88Å
129E98.8Very high98.2Very high0 Ų054.8 Ų54.80%026%0.264CS..EExtended strand (participates in β ladder)trans-109.6142.2170.1-59.8177.7-162.400111.4G127 W179 T275 V277 Y280 Q281 N282 I285 K289G127-E129 PolarHBondContact O-N 2.95Å; E129-W179 HydrophobicContact CG-CZ2 4.04Å; E129-T275 CarbonylContact C-O 3.59Å; E129-T275 VanDerWaalsContact CA-O 3.31Å; E129-T275 WeakPolarHBondContact CA-O 3.38Å; E129-V277 HydrophobicContact CB-CG2 4.02Å; E129-V277 HydrophobicContact CG-CG1 4.45Å; E129-Y280 HydrophobicContact CB-CD1 3.93Å; E129-Y280 HydrophobicContact CB-CE1 4.24Å; E129-Y280 WeakPolarHBondContact OE2-CA 3.34Å; E129-Q281 PolarHBondContact OE2-N 3.37Å; E129-N282 WeakPolarHBondContact OE1-CB 3.31Å; E129-N282 PolarHBondContact OE1-N 2.81Å; E129-I285 HydrophobicContact CB-CG2 4.09Å; E129-I285 HydrophobicContact CG-CG1 4.29Å; E129-I285 HydrophobicContact CG-CG2 4.48Å; E129-K289 WeakPolarHBondContact O-CE 3.39Å; E129-K289 PolarHBondContact O-NZ 2.92Å
130M98.8Very high98.2Very high4 Ų454.4 Ų54.42%0.0226%0.261CS..EExtended strand (participates in β ladder)trans-124.2129173.1-67.7-63.6-172.800111.2W120 T128 M139 F140 L218 F274 T275 V277W120-M130 HydrophobicContact CH2-CE 3.5Å; W120-M130 HydrophobicContact CZ3-CE 3.69Å; T128-M130 HydrophobicContact CG2-CE 4.12Å; M130-M139 HydrophobicContact CE-CB 4.21Å; M130-M139 HydrophobicContact SD-CB 4.25Å; M130-F140 WeakPolarHBondContact CE-O 3.24Å; M130-L218 HydrophobicContact CB-CD1 4.01Å; M130-L218 HydrophobicContact CG-CD1 4.49Å; M130-F274 HydrophobicContact CB-CD2 3.66Å; M130-F274 HydrophobicContact CB-CE2 3.81Å; M130-F274 HydrophobicContact CB-CG 4.12Å; M130-F274 HydrophobicContact CB-CZ 4.38Å; M130-F274 HydrophobicContact CE-CD1 4.22Å; M130-F274 HydrophobicContact CG-CB 3.88Å; M130-F274 HydrophobicContact CG-CD1 3.69Å; M130-F274 HydrophobicContact CG-CD2 3.51Å; M130-F274 HydrophobicContact CG-CE1 4Å; M130-F274 HydrophobicContact CG-CE2 3.86Å; M130-F274 HydrophobicContact CG-CG 3.43Å; M130-F274 VanDerWaalsContact CG-CG 3.43Å; M130-F274 HydrophobicContact CG-CZ 4.09Å; M130-T275 PolarHBondContact N-O 3.3Å; M130-V277 PolarHBondContact O-N 3.35Å
131I98.6Very high98.2Very high25 Ų2554.7 Ų54.713%0.12826%0.263CS..EExtended strand (participates in β ladder)trans-75.2130.8177.2-63.9-79.1000109.7T133 R137 V277 Y280I131-T133 HydrophobicContact CG2-CG2 3.92Å; I131-R137 HydrophobicContact CB-CG 4.12Å; I131-R137 HydrophobicContact CG2-CG 3.96Å; I131-R137 WeakPolarHBondContact O-CB 3.29Å; I131-R137 WeakPolarHBondContact O-CG 3.32Å; I131-V277 CarbonylContact C-O 3.57Å; I131-V277 VanDerWaalsContact CA-O 3.26Å; I131-V277 WeakPolarHBondContact CA-O 3.33Å; I131-V277 HydrophobicContact CD1-CG2 4Å; I131-Y280 HydrophobicContact CD1-CD1 4.05Å; I131-Y280 HydrophobicContact CD1-CD2 4.15Å; I131-Y280 HydrophobicContact CD1-CE1 4.03Å; I131-Y280 HydrophobicContact CD1-CE2 4.13Å; I131-Y280 HydrophobicContact CD1-CG 4.1Å; I131-Y280 HydrophobicContact CG1-CD1 4.14Å; I131-Y280 HydrophobicContact CG1-CD2 4.36Å; I131-Y280 HydrophobicContact CG1-CE1 3.59Å; I131-Y280 HydrophobicContact CG1-CE2 3.85Å; I131-Y280 HydrophobicContact CG1-CG 4.49Å; I131-Y280 VanDerWaalsContact CG1-CZ 3.41Å
132I98.5Very high98.1Very high2 Ų251.7 Ų51.71%0.0125%0.254CS..  trans-114.3141.8170.564.1176.2000110.6L218 N220 L231 T276 V277 T278I132-L218 HydrophobicContact CG2-CB 3.74Å; I132-L218 HydrophobicContact CG2-CD1 4.38Å; I132-N220 HydrophobicContact CB-CB 4.47Å; I132-N220 HydrophobicContact CD1-CB 3.63Å; I132-N220 HydrophobicContact CG1-CB 3.94Å; I132-L231 WeakPolarHBondContact CD1-O 3.45Å; I132-T276 HydrophobicContact CD1-CG2 4.48Å; I132-T276 HydrophobicContact CG2-CG2 3.9Å; I132-V277 PolarHBondContact N-O 2.69Å; I132-T278 HydrophobicContact CG1-CG2 4.43Å
133T98.3Very high98.1Very high51 Ų5146 Ų4631%0.31323%0.233SC..  trans-145.7154.8-179.667.10000111.9I131 A135 G136 R137 T219 N220I131-T133 HydrophobicContact CG2-CG2 3.92Å; T133-A135 PolarHBondContact O-N 2.61Å; T133-A135 VanDerWaalsContact O-N 3.08Å; T133-G136 PolarHBondContact O-N 3.46Å; T133-R137 HydrophobicContact CG2-CB 4.36Å; T133-T219 WeakPolarHBondContact O-CA 3.32Å; T133-T219 PolarHBondContact O-OG1 3.1Å; T133-T219 VanDerWaalsContact O-OG1 3.07Å; T133-N220 WeakPolarHBondContact CA-OD1 3.42Å
134K97.1Very high98.1Very high155 Ų15551.7 Ų51.767%0.67425%0.254SS*.THydrogen-bonded Turntrans-52.7-33-178.7-177.5172.5-176.9177.70114.6T219 N220 N221K134-T219 PolarHBondContact O-OG1 2.71Å; K134-N220 PolarHBondContact N-OD1 3.2Å; K134-N221 HydrophobicContact CG-CB 4.18Å
135A97.1Very high98.1Very high72 Ų7247.7 Ų47.760%0.59524%0.236SC*.THydrogen-bonded Turntrans-90.74.3-179.900000114.2T133 K217 H228T133-A135 PolarHBondContact O-N 2.61Å; T133-A135 VanDerWaalsContact O-N 3.08Å; A135-K217 PolarHBondContact O-NZ 3.45Å; A135-H228 PolarHBondContact O-CE1 2.92Å
136G97.9Very high98.2Very high10 Ų1044.4 Ų44.410%0.10322%0.219CC..  trans76.4123.5-176.600000113.5T133 K217 L218T133-G136 PolarHBondContact O-N 3.46Å; G136-K217 WeakPolarHBondContact O-CD 3.35Å; G136-K217 WeakPolarHBondContact O-CE 3.42Å; G136-L218 CarbonylContact C-O 3.41Å; G136-L218 WeakPolarHBondContact CA-O 3.34Å
137R98.5Very high98.2Very high131 Ų13142 Ų4249%0.49421%0.207SC..EExtended strand (participates in β ladder)trans-111.4132.4-178.9-173.170.1175-174.3-2.4111.1I131 T133 K217 L218I131-R137 HydrophobicContact CB-CG 4.12Å; I131-R137 HydrophobicContact CG2-CG 3.96Å; I131-R137 WeakPolarHBondContact O-CB 3.29Å; I131-R137 WeakPolarHBondContact O-CG 3.32Å; T133-R137 HydrophobicContact CG2-CB 4.36Å; R137-K217 CarbonylContact O-C 3.6Å; R137-K217 VanDerWaalsContact O-CA 3.31Å; R137-K217 WeakPolarHBondContact O-CA 3.38Å; R137-L218 PolarHBondContact N-O 3.16Å; R137-L218 PolarHBondContact O-N 3.18Å
138R98.3Very high98.2Very high130 Ų13042.8 Ų42.849%0.49121%0.207SC..EExtended strand (participates in β ladder)trans-66.9142.7174.5-70.4176.9175.8-135.810.4111.5D214 L216 K217R138-D214 WeakPolarHBondContact CD-O 3.46Å; R138-D214 WeakPolarHBondContact CG-O 3.48Å; R138-D214 IonicContact CZ-OD2 3.58Å; R138-D214 PolarHBondContact NE-O 3.06Å; R138-D214 PolarHBondContact NH1-O 2.63Å; R138-D214 IonicContact NH1-OD2 2.81Å; R138-D214 PolarHBondContact NH1-OD2 3.2Å; R138-L216 WeakPolarHBondContact CA-O 3.23Å; R138-K217 HydrophobicContact CG-CG 4.21Å
139M98.4Very high98.1Very high13 Ų1342.9 Ų42.96%0.06421%0.208CC..  trans-66149.3174.2-60-169.4-61.500111.6M130 P141 M143 M160 I162 L216 L218 F274M130-M139 HydrophobicContact CE-CB 4.21Å; M130-M139 HydrophobicContact SD-CB 4.25Å; M139-P141 CarbonylContact C-O 3.54Å; M139-M143 HydrophobicContact CE-CB 3.9Å; M139-M143 HydrophobicContact CE-CG 3.6Å; M139-M160 HydrophobicContact CE-CE 3.95Å; M139-M160 HydrophobicContact CE-SD 4.15Å; M139-M160 HydrophobicContact SD-CE 4.36Å; M139-I162 HydrophobicContact SD-CD1 4.5Å; M139-L216 HydrophobicContact CE-CD1 4.41Å; M139-L216 HydrophobicContact CE-CD2 4.06Å; M139-L216 HydrophobicContact CG-CD2 4.35Å; M139-L216 HydrophobicContact SD-CD2 4.19Å; M139-L218 HydrophobicContact CG-CD1 3.87Å; M139-L218 HydrophobicContact CG-CD2 4.33Å; M139-L218 HydrophobicContact CG-CG 3.99Å; M139-L218 HydrophobicContact SD-CD1 4.37Å; M139-L218 HydrophobicContact SD-CD2 4.38Å; M139-F274 HydrophobicContact SD-CE1 4.32Å
140F98.4Very high97.9Very high34 Ų3443.2 Ų43.215%0.14921%0.21CC..SBendtrans-143.2121.4164.5-174.8-90.7000110.7L119 F123 M130 K289 R292 N293L119-F140 HydrophobicContact CD2-CZ 4.18Å; F123-F140 HydrophobicContact CE2-CD1 4.25Å; F123-F140 AromaticContact CE2-CE1 3.86Å; F123-F140 HydrophobicContact CE2-CE1 3.86Å; F123-F140 HydrophobicContact CZ-CD1 4.14Å; F123-F140 AromaticContact CZ-CE1 3.91Å; F123-F140 HydrophobicContact CZ-CE1 3.91Å; M130-F140 WeakPolarHBondContact CE-O 3.24Å; F140-K289 HydrophobicContact CD1-CD 3.87Å; F140-K289 PolarHBondContact O-NZ 3.22Å; F140-R292 HydrophobicContact CE1-CB 4.01Å; F140-R292 VanDerWaalsContact CZ-C 3.42Å; F140-R292 HydrophobicContact CZ-CB 3.96Å; F140-R292 WeakPolarHBondContact CZ-O 3.46Å; F140-N293 HydrophobicContact CD1-CB 3.93Å; F140-N293 HydrophobicContact CD2-CB 3.9Å; F140-N293 HydrophobicContact CE1-CB 3.85Å; F140-N293 HydrophobicContact CE2-CB 3.82Å; F140-N293 HydrophobicContact CG-CB 3.96Å; F140-N293 VanDerWaalsContact CZ-CA 3.46Å; F140-N293 HydrophobicContact CZ-CB 3.81Å
141P98.3Very high97.8Very high7 Ų746.8 Ų46.85%0.04523%0.229CC..SBendcis-61.4159.3-0.5-18.732.6000112.4L119 W120 F123 M139L119-P141 HydrophobicContact CD2-CB 4.16Å; L119-P141 HydrophobicContact CD2-CG 3.87Å; L119-P141 HydrophobicContact CG-CG 3.83Å; W120-P141 HydrophobicContact CD2-CB 4.25Å; W120-P141 HydrophobicContact CD2-CG 4.09Å; W120-P141 HydrophobicContact CE3-CG 4.47Å; W120-P141 HydrophobicContact CG-CG 4.44Å; W120-P141 HydrophobicContact CZ2-CB 3.92Å; W120-P141 HydrophobicContact CZ2-CG 4.43Å; W120-P141 VanDerWaalsContact CZ2-O 3.31Å; W120-P141 WeakPolarHBondContact CZ2-O 3.16Å; F123-P141 HydrophobicContact CD2-CG 3.61Å; F123-P141 HydrophobicContact CE2-CG 3.74Å; M139-P141 CarbonylContact C-O 3.54Å
142A97.8Very high97.7Very high24 Ų2448.3 Ų48.320%0.19824%0.241CC..PPolyproline II helixtrans-75.4141.9170.500000109R144 D214A142-R144 HydrophobicContact CB-CG 4.35Å; A142-R144 PolarHBondContact O-N 3.03Å; A142-D214 HydrophobicContact CB-CB 4.05Å
143M98.3Very high97.5Very high0 Ų056 Ų560%028%0.276CS..PPolyproline II helixtrans-68.2123.8167.7-76-64.2-74.400108.4L114 W120 M139 M160 F213 P239 V241 F269 T272L114-M143 HydrophobicContact CD1-CE 4.12Å; L114-M143 HydrophobicContact CD1-SD 4.08Å; W120-M143 HydrophobicContact CH2-CG 4.35Å; W120-M143 HydrophobicContact CH2-SD 3.98Å; W120-M143 HydrophobicContact CZ2-CG 3.96Å; W120-M143 HydrophobicContact CZ2-SD 3.5Å; W120-M143 WeakPolarHBondContact CZ2-SD 3.36Å; M139-M143 HydrophobicContact CE-CB 3.9Å; M139-M143 HydrophobicContact CE-CG 3.6Å; M143-M160 HydrophobicContact CB-SD 3.94Å; M143-M160 HydrophobicContact CG-SD 3.88Å; M143-F213 HydrophobicContact CB-CB 4.08Å; M143-F213 HydrophobicContact CB-CD2 3.92Å; M143-F213 HydrophobicContact CB-CG 4.4Å; M143-F213 PolarHBondContact O-N 3.36Å; M143-P239 HydrophobicContact CE-CB 4.15Å; M143-P239 HydrophobicContact SD-CB 4.49Å; M143-V241 HydrophobicContact CE-CG2 4.24Å; M143-F269 HydrophobicContact CE-CD2 4.11Å; M143-T272 HydrophobicContact CE-CG2 4.04Å; M143-T272 HydrophobicContact SD-CG2 3.6Å; M143-T272 VanDerWaalsContact SD-CG2 3.6Å
144R98.3Very high97.3Very high118 Ų11855.9 Ų55.945%0.44527%0.272SS..EExtended strand (participates in β ladder)trans-140.4131.9-179.9-64-175.472.9-157.22.4108.4Q115 A142 V210 V211Q115-R144 HydrophobicContact CB-CB 4.09Å; Q115-R144 PolarHBondContact N-O 3.07Å; A142-R144 HydrophobicContact CB-CG 4.35Å; A142-R144 PolarHBondContact O-N 3.03Å; R144-V210 HydrophobicContact CB-CG1 3.91Å; R144-V211 VanDerWaalsContact CA-O 3.28Å; R144-V211 WeakPolarHBondContact CA-O 3.38Å
145V98.6Very high97.3Very high0 Ų051.3 Ų51.30%025%0.253CS..EExtended strand (participates in β ladder)trans-135.6146.4-176.3-63.30000111.5V112 E113 I147 V210 V211 F213 V241 F269V112-V145 HydrophobicContact CG1-CB 3.61Å; V112-V145 HydrophobicContact CG1-CG1 3.78Å; V112-V145 HydrophobicContact CG1-CG2 3.95Å; E113-V145 WeakPolarHBondContact O-CA 3.47Å; V145-I147 HydrophobicContact CG2-CG1 4.26Å; V145-V210 CarbonylContact O-C 3.5Å; V145-V210 WeakPolarHBondContact O-CA 3.28Å; V145-V211 HydrophobicContact CG2-CB 4.03Å; V145-V211 PolarHBondContact N-O 3.05Å; V145-V211 PolarHBondContact O-N 3.12Å; V145-F213 HydrophobicContact CG2-CE2 4.32Å; V145-V241 HydrophobicContact CG1-CG2 4.24Å; V145-V241 HydrophobicContact CG2-CG1 4.38Å; V145-F269 HydrophobicContact CG1-CE2 4.08Å; V145-F269 HydrophobicContact CG1-CZ 4.47Å
146K98.3Very high97.2Very high78 Ų7848.4 Ų48.434%0.33923%0.227SC..EExtended strand (participates in β ladder)trans-102.2135.8165.6179-178.6154.5-132.80107.6V112 E113 Q115 V210V112-K146 CarbonylContact C-O 3.58Å; V112-K146 WeakPolarHBondContact CA-O 3.48Å; E113-K146 HydrophobicContact CB-CB 4.39Å; E113-K146 PolarHBondContact N-O 2.83Å; E113-K146 PolarHBondContact O-N 3.04Å; E113-K146 WeakPolarHBondContact OE2-CD 3.48Å; E113-K146 IonicContact OE2-NZ 3.33Å; E113-K146 PolarHBondContact OE2-NZ 3.29Å; Q115-K146 HydrophobicContact CG-CB 4.11Å; K146-V210 HydrophobicContact CB-CG2 4.42Å
147I98.1Very high97.1Very high0 Ų050.4 Ų50.40%023%0.232CC..EExtended strand (participates in β ladder)trans-114.3141.7-179.2-49.5-179.9000108.3T110 R111 V112 V145 L150 I158 M207 V211 V243T110-I147 HydrophobicContact CG2-CG2 4.09Å; R111-I147 WeakPolarHBondContact O-CA 3.48Å; V112-I147 HydrophobicContact CG1-CG1 4.47Å; V112-I147 HydrophobicContact CG2-CG1 4.3Å; V112-I147 HydrophobicContact CG2-CG2 4.26Å; V145-I147 HydrophobicContact CG2-CG1 4.26Å; I147-L150 HydrophobicContact CG2-CD1 3.79Å; I147-L150 HydrophobicContact CG2-CD2 4.18Å; I147-L150 HydrophobicContact CG2-CG 3.85Å; I147-I158 HydrophobicContact CD1-CD1 3.55Å; I147-I158 HydrophobicContact CD1-CG1 4.1Å; I147-M207 WeakPolarHBondContact O-CG 3.41Å; I147-V211 HydrophobicContact CD1-CG2 4.06Å; I147-V211 HydrophobicContact CG1-CG2 4.42Å; I147-V243 HydrophobicContact CD1-CG2 4.45Å
148T97.5Very high97Very high41 Ų4144.1 Ų44.125%0.25221%0.208SC..EExtended strand (participates in β ladder)trans-144.4160.4177.451.70000109.4T110 R111T110-T148 CarbonylContact C-O 3.57Å; T110-T148 VanDerWaalsContact CA-O 3.32Å; T110-T148 WeakPolarHBondContact CA-O 3.17Å; R111-T148 PolarHBondContact N-O 3.37Å; R111-T148 PolarHBondContact O-N 3Å
149G95.8Very high96.9Very high5 Ų538 Ų385%0.05219%0.185CC..SBendtrans68.239.9-177.300000113.9E108 T110 M207E108-G149 WeakPolarHBondContact OE2-CA 3.4Å; T110-G149 VanDerWaalsContact CA-O 3.24Å; T110-G149 WeakPolarHBondContact CA-O 3.45Å; T110-G149 WeakPolarHBondContact CB-O 3.49Å; T110-G149 PolarHBondContact N-O 2.71Å; T110-G149 PolarHBondContact OG1-O 3.36Å; G149-M207 PolarHBondContact N-SD 3.27Å
150L95.9Very high96.9Very high8 Ų837.3 Ų37.34%0.04218%0.182CC..  trans-99.1153.5163.4-60.9178.5000109.1T110 I147 P152 Y156 W206 M207 V243T110-L150 HydrophobicContact CG2-CD2 3.49Å; T110-L150 VanDerWaalsContact CG2-CD2 3.49Å; T110-L150 HydrophobicContact CG2-CG 4.33Å; I147-L150 HydrophobicContact CG2-CD1 3.79Å; I147-L150 HydrophobicContact CG2-CD2 4.18Å; I147-L150 HydrophobicContact CG2-CG 3.85Å; L150-P152 WeakPolarHBondContact O-CD 3.48Å; L150-Y156 HydrophobicContact CB-CD2 4.48Å; L150-Y156 HydrophobicContact CB-CE2 3.87Å; L150-Y156 HydrophobicContact CD1-CD2 4.17Å; L150-Y156 HydrophobicContact CD1-CE2 4.37Å; L150-Y156 HydrophobicContact CD2-CD1 4.3Å; L150-Y156 HydrophobicContact CD2-CD2 4.43Å; L150-Y156 HydrophobicContact CD2-CE1 4.04Å; L150-Y156 HydrophobicContact CD2-CE2 4.19Å; L150-Y156 HydrophobicContact CD2-CG 4.48Å; L150-Y156 HydrophobicContact CG-CE2 4.37Å; L150-W206 HydrophobicContact CD1-CB 3.69Å; L150-W206 HydrophobicContact CD1-CG 4.37Å; L150-M207 HydrophobicContact CB-CE 4.06Å; L150-M207 HydrophobicContact CB-CG 4.21Å; L150-M207 HydrophobicContact CB-SD 3.93Å; L150-M207 HydrophobicContact CD1-CG 4.18Å; L150-M207 HydrophobicContact CG-CG 4.25Å; L150-M207 HydrophobicContact CG-SD 4.41Å; L150-M207 PolarHBondContact N-SD 3.05Å; L150-M207 VanDerWaalsContact N-SD 3.36Å; L150-M207 WeakPolarHBondContact O-CE 3.49Å; L150-V243 HydrophobicContact CD2-CG1 3.77Å
151D95.3Very high96.8Very high79 Ų7936.3 Ų36.342%0.42218%0.178SC..  trans-66.4124.1166.4178.8-47000108.7H153 Q154 Y156 G203D151-H153 VanDerWaalsContact C-N 3.29Å; D151-H153 PolarHBondContact O-N 3.3Å; D151-H153 WeakPolarHBondContact OD1-CA 3.43Å; D151-H153 WeakPolarHBondContact OD1-CB 3.22Å; D151-H153 IonicContact OD1-CD2 2.77Å; D151-H153 PolarHBondContact OD1-N 3.43Å; D151-Q154 HydrophobicContact CB-CB 3.72Å; D151-Q154 PolarHBondContact O-N 2.81Å; D151-Q154 PolarHBondContact OD1-N 2.8Å; D151-Q154 VanDerWaalsContact OD1-N 3.1Å; D151-Y156 PolarHBondContact N-OH 2.91Å; D151-Y156 VanDerWaalsContact N-OH 3.16Å; D151-G203 WeakPolarHBondContact O-CA 3.24Å
152P96.3Very high96.8Very high56 Ų5636.9 Ų36.936%0.36418%0.18SC..SBendtrans-59.1-35.9-177.2-2736.3000114.6L150 S202 E204 M207L150-P152 WeakPolarHBondContact O-CD 3.48Å; P152-S202 WeakPolarHBondContact O-CB 3.41Å; P152-E204 HydrophobicContact CB-CB 4.01Å; P152-E204 HydrophobicContact CB-CG 4.43Å; P152-E204 WeakPolarHBondContact O-CB 3.4Å; P152-E204 PolarHBondContact O-N 3.4Å; P152-E204 VanDerWaalsContact O-N 3.13Å; P152-M207 HydrophobicContact CG-CE 4.3Å
153H95.6Very high96.7Very high165 Ų16538.5 Ų38.576%0.76419%0.185SC*.SBendtrans-84.9-31-173.6-57.6-68.4000111.9D151D151-H153 VanDerWaalsContact C-N 3.29Å; D151-H153 PolarHBondContact O-N 3.3Å; D151-H153 WeakPolarHBondContact OD1-CA 3.43Å; D151-H153 WeakPolarHBondContact OD1-CB 3.22Å; D151-H153 IonicContact OD1-CD2 2.77Å; D151-H153 PolarHBondContact OD1-N 3.43Å
154Q94.8Very high96.7Very high47 Ų4742.5 Ų42.522%0.2221%0.211CC..SBendtrans-76.6154.2-173.4-166.852.38.900113.4D151 Y156 S202 G203 H245 E247D151-Q154 HydrophobicContact CB-CB 3.72Å; D151-Q154 PolarHBondContact O-N 2.81Å; D151-Q154 PolarHBondContact OD1-N 2.8Å; D151-Q154 VanDerWaalsContact OD1-N 3.1Å; Q154-Y156 HydrophobicContact CB-CE2 4.09Å; Q154-Y156 HydrophobicContact CG-CE2 4.44Å; Q154-Y156 WeakPolarHBondContact O-CD2 3.46Å; Q154-Y156 WeakPolarHBondContact O-CE2 3.2Å; Q154-S202 CarbonylContact O-C 3.52Å; Q154-S202 VanDerWaalsContact O-CA 3.3Å; Q154-S202 WeakPolarHBondContact O-CA 3.4Å; Q154-G203 PolarHBondContact O-N 3.33Å; Q154-H245 WeakPolarHBondContact CG-NE2 3.33Å; Q154-H245 PolarHBondContact NE2-CE1 3.06Å; Q154-H245 PolarHBondContact NE2-NE2 3.49Å; Q154-E247 PolarHBondContact NE2-OE1 3.31Å
155Q95.4Very high96.7Very high59 Ų5940.4 Ų40.428%0.27621%0.211SC..EExtended strand (participates in β ladder)trans-99.1137.8-173.3-62.7-67.4-58.400112.2K246Q155-K246 HydrophobicContact CB-CB 3.59Å; Q155-K246 HydrophobicContact CB-CD 3.59Å; Q155-K246 HydrophobicContact CB-CG 4.16Å; Q155-K246 HydrophobicContact CG-CD 4.04Å; Q155-K246 VanDerWaalsContact O-CB 3.32Å; Q155-K246 WeakPolarHBondContact O-CB 3.3Å; Q155-K246 PolarHBondContact O-N 3.23Å
156Y95.8Very high96.6Very high12 Ų1242.4 Ų42.45%0.04722%0.222CC..EExtended strand (participates in β ladder)trans-135.3145.7-179.6-57.1-90.3000112.2L150 D151 Q154 P200 A201 W206 V243 I244 H245L150-Y156 HydrophobicContact CB-CD2 4.48Å; L150-Y156 HydrophobicContact CB-CE2 3.87Å; L150-Y156 HydrophobicContact CD1-CD2 4.17Å; L150-Y156 HydrophobicContact CD1-CE2 4.37Å; L150-Y156 HydrophobicContact CD2-CD1 4.3Å; L150-Y156 HydrophobicContact CD2-CD2 4.43Å; L150-Y156 HydrophobicContact CD2-CE1 4.04Å; L150-Y156 HydrophobicContact CD2-CE2 4.19Å; L150-Y156 HydrophobicContact CD2-CG 4.48Å; L150-Y156 HydrophobicContact CG-CE2 4.37Å; D151-Y156 PolarHBondContact N-OH 2.91Å; D151-Y156 VanDerWaalsContact N-OH 3.16Å; Q154-Y156 HydrophobicContact CB-CE2 4.09Å; Q154-Y156 HydrophobicContact CG-CE2 4.44Å; Q154-Y156 WeakPolarHBondContact O-CD2 3.46Å; Q154-Y156 WeakPolarHBondContact O-CE2 3.2Å; Y156-P200 WeakPolarHBondContact O-CA 3.12Å; Y156-A201 PolarHBondContact N-O 2.92Å; Y156-A201 PolarHBondContact O-N 3.48Å; Y156-A201 VanDerWaalsContact O-N 3.08Å; Y156-W206 PolarHBondContact O-NE1 3.28Å; Y156-V243 HydrophobicContact CD1-CG1 3.88Å; Y156-V243 HydrophobicContact CE1-CG1 4.47Å; Y156-V243 HydrophobicContact CG-CG1 4.45Å; Y156-I244 CarbonylContact C-O 3.56Å; Y156-I244 VanDerWaalsContact CA-O 3.3Å; Y156-I244 WeakPolarHBondContact CA-O 3.32Å; Y156-H245 AromaticContact CE1-CD2 3.74Å
157Y95.9Very high96.5Very high51 Ų5144.3 Ų44.320%0.224%0.236CC..EExtended strand (participates in β ladder)trans-94.1137.7160.6-65.8-95.6000109.4I195 P200 I244 K246 L252Y157-I195 HydrophobicContact CD1-CG2 4.41Å; Y157-P200 HydrophobicContact CD1-CB 4.18Å; Y157-P200 HydrophobicContact CD2-CB 4.26Å; Y157-P200 HydrophobicContact CE1-CB 3.91Å; Y157-P200 HydrophobicContact CE1-CG 4.03Å; Y157-P200 HydrophobicContact CE2-CB 3.99Å; Y157-P200 HydrophobicContact CE2-CG 4.49Å; Y157-P200 HydrophobicContact CG-CB 4.34Å; Y157-I244 PolarHBondContact N-O 3.47Å; Y157-I244 PolarHBondContact O-N 3.24Å; Y157-K246 HydrophobicContact CE2-CB 4.29Å; Y157-K246 HydrophobicContact CE2-CG 4Å; Y157-L252 HydrophobicContact CD1-CD1 4.09Å; Y157-L252 HydrophobicContact CD2-CD1 3.75Å; Y157-L252 HydrophobicContact CE2-CD1 4.43Å; Y157-L252 HydrophobicContact CG-CD1 3.57Å
158I96.9Very high96.5Very high0 Ų048.9 Ų48.90%026%0.256CS..EExtended strand (participates in β ladder)trans-112125.3170.9-58.7-60.7000108.6I147 H196 S199 W206 V211 F213 V241 H242 V243I147-I158 HydrophobicContact CD1-CD1 3.55Å; I147-I158 HydrophobicContact CD1-CG1 4.1Å; I158-H196 HydrophobicContact CB-CB 4.29Å; I158-H196 HydrophobicContact CG2-CB 4.49Å; I158-H196 WeakPolarHBondContact O-CB 3.29Å; I158-H196 PolarHBondContact O-N 2.96Å; I158-S199 PolarHBondContact N-OG 3.2Å; I158-S199 PolarHBondContact O-OG 2.82Å; I158-W206 HydrophobicContact CB-CE3 4.39Å; I158-W206 HydrophobicContact CB-CH2 3.82Å; I158-W206 HydrophobicContact CB-CZ2 3.99Å; I158-W206 HydrophobicContact CB-CZ3 4.03Å; I158-W206 HydrophobicContact CD1-CD2 4.43Å; I158-W206 HydrophobicContact CG1-CD2 3.48Å; I158-W206 VanDerWaalsContact CG1-CD2 3.48Å; I158-W206 VanDerWaalsContact CG1-CE2 3.45Å; I158-W206 HydrophobicContact CG1-CE3 3.66Å; I158-W206 HydrophobicContact CG1-CG 4.1Å; I158-W206 HydrophobicContact CG1-CH2 3.78Å; I158-W206 HydrophobicContact CG1-CZ2 3.61Å; I158-W206 HydrophobicContact CG1-CZ3 3.8Å; I158-V211 HydrophobicContact CG2-CG1 4.14Å; I158-F213 HydrophobicContact CG2-CE1 4.48Å; I158-F213 HydrophobicContact CG2-CZ 3.84Å; I158-V241 HydrophobicContact CG2-CG1 4.48Å; I158-H242 WeakPolarHBondContact CA-O 3.1Å; I158-V243 HydrophobicContact CD1-CB 4.16Å; I158-V243 HydrophobicContact CD1-CG1 4.04Å; I158-V243 HydrophobicContact CD1-CG2 3.81Å
159A96.6Very high96.5Very high0 Ų052.1 Ų52.10%026%0.263CS..EExtended strand (participates in β ladder)trans-134.2163.5-177.200000111.9V193 Y194 H242 I244 I258A159-V193 HydrophobicContact CB-CG1 3.82Å; A159-Y194 CarbonylContact C-O 3.57Å; A159-Y194 VanDerWaalsContact CA-O 3.29Å; A159-Y194 WeakPolarHBondContact CA-O 3.18Å; A159-H242 HydrophobicContact CB-CB 4.48Å; A159-H242 PolarHBondContact N-O 3.09Å; A159-H242 PolarHBondContact O-N 3.3Å; A159-I244 HydrophobicContact CB-CD1 4.06Å; A159-I258 HydrophobicContact CB-CD1 3.99Å
160M97.7Very high96.6Very high0 Ų052.8 Ų52.80%026%0.264CS..EExtended strand (participates in β ladder)trans-134.3131.6173-157.2-165.796.400110.5M139 M143 I162 Y194 F213 L216 P239 R240 V241M139-M160 HydrophobicContact CE-CE 3.95Å; M139-M160 HydrophobicContact CE-SD 4.15Å; M139-M160 HydrophobicContact SD-CE 4.36Å; M143-M160 HydrophobicContact CB-SD 3.94Å; M143-M160 HydrophobicContact CG-SD 3.88Å; M160-I162 HydrophobicContact CE-CD1 3.61Å; M160-I162 HydrophobicContact CE-CG1 3.46Å; M160-I162 VanDerWaalsContact CE-CG1 3.46Å; M160-Y194 PolarHBondContact N-O 2.64Å; M160-Y194 PolarHBondContact O-N 3.08Å; M160-F213 HydrophobicContact CB-CD1 3.95Å; M160-F213 HydrophobicContact CB-CE1 3.72Å; M160-F213 HydrophobicContact CB-CG 4.46Å; M160-F213 HydrophobicContact CB-CZ 4.03Å; M160-F213 HydrophobicContact SD-CB 4.39Å; M160-F213 HydrophobicContact SD-CD2 4.3Å; M160-F213 HydrophobicContact SD-CG 4.17Å; M160-L216 HydrophobicContact CB-CD1 4.22Å; M160-L216 HydrophobicContact CE-CD1 3.47Å; M160-L216 VanDerWaalsContact CE-CD1 3.47Å; M160-L216 HydrophobicContact CE-CD2 4.41Å; M160-L216 HydrophobicContact SD-CD1 3.83Å; M160-P239 HydrophobicContact CE-CB 4.09Å; M160-P239 HydrophobicContact SD-CB 4.42Å; M160-R240 VanDerWaalsContact CA-O 3.24Å; M160-R240 WeakPolarHBondContact CA-O 3.33Å; M160-R240 WeakPolarHBondContact CG-O 3.31Å; M160-V241 HydrophobicContact CG-CG2 4.21Å
161D96.7Very high96.7Very high13 Ų1358.2 Ų58.27%0.0728%0.284CS..EExtended strand (participates in β ladder)trans-115.8172.4166.591.15.5000111.4V193 P239 R240 H242 I258D161-V193 HydrophobicContact CB-CG2 4.39Å; D161-P239 WeakPolarHBondContact O-CA 3.44Å; D161-R240 PolarHBondContact N-O 2.74Å; D161-R240 PolarHBondContact O-N 3.39Å; D161-R240 WeakPolarHBondContact OD1-CB 3.39Å; D161-R240 IonicContact OD1-CZ 2.64Å; D161-R240 IonicContact OD1-NE 3.94Å; D161-R240 PolarHBondContact OD1-NE 3.41Å; D161-R240 IonicContact OD1-NH2 3.39Å; D161-R240 PolarHBondContact OD1-NH2 2.93Å; D161-R240 IonicContact OD2-CZ 3.33Å; D161-R240 IonicContact OD2-NE 3.71Å; D161-R240 IonicContact OD2-NH2 3.59Å; D161-R240 PolarHBondContact OD2-NH2 3.21Å; D161-H242 VanDerWaalsContact CG-NE2 3.27Å; D161-H242 IonicContact OD1-NE2 3.19Å; D161-H242 PolarHBondContact OD1-NE2 3.2Å; D161-H242 IonicContact OD2-CE1 2.81Å; D161-H242 IonicContact OD2-NE2 3.41Å; D161-I258 HydrophobicContact CB-CG1 4.49Å
162I97.8Very high96.8Very high18 Ų1855.3 Ų55.39%0.09227%0.268CS..EExtended strand (participates in β ladder)trans-138.7107.6-179.4-59.6-177.7000107.8M139 M160 L218 I229 L231 Y237 F274M139-I162 HydrophobicContact SD-CD1 4.5Å; M160-I162 HydrophobicContact CE-CD1 3.61Å; M160-I162 HydrophobicContact CE-CG1 3.46Å; M160-I162 VanDerWaalsContact CE-CG1 3.46Å; I162-L218 HydrophobicContact CD1-CD2 3.44Å; I162-L218 VanDerWaalsContact CD1-CD2 3.44Å; I162-I229 HydrophobicContact CB-CG2 4.31Å; I162-I229 HydrophobicContact CD1-CD1 3.9Å; I162-I229 HydrophobicContact CD1-CG2 4.21Å; I162-I229 HydrophobicContact CG1-CD1 3.97Å; I162-I229 HydrophobicContact CG1-CG2 4.47Å; I162-L231 HydrophobicContact CB-CD2 4.24Å; I162-L231 HydrophobicContact CD1-CD1 4.41Å; I162-L231 HydrophobicContact CG2-CD1 4.2Å; I162-L231 HydrophobicContact CG2-CD2 3.77Å; I162-Y237 HydrophobicContact CG2-CD1 3.93Å; I162-Y237 HydrophobicContact CG2-CG 3.95Å; I162-F274 HydrophobicContact CD1-CZ 4.25Å; I162-F274 HydrophobicContact CG2-CZ 4.3Å
163I96.4Very high96.9Very high58 Ų5852.9 Ų52.930%0.29725%0.252SS..EExtended strand (participates in β ladder)trans-99.1149.1-179.358.9164.8000111.8Y237 Q238 R240I163-Y237 CarbonylContact O-C 3.55Å; I163-Y237 VanDerWaalsContact O-CA 3.28Å; I163-Y237 WeakPolarHBondContact O-CA 3.35Å; I163-Q238 HydrophobicContact CG1-CB 4.18Å; I163-Q238 PolarHBondContact N-O 2.93Å; I163-Q238 VanDerWaalsContact N-O 3.07Å; I163-Q238 PolarHBondContact O-N 3.22Å; I163-R240 HydrophobicContact CD1-CG 4.44Å; I163-R240 HydrophobicContact CG1-CG 4.27Å
164P97.1Very high96.9Very high85 Ų8551 Ų5155%0.55224%0.239SC*.EExtended strand (participates in β ladder)trans-64.8142.7171.328.2-34.5000110.8K236 Y237P164-K236 WeakPolarHBondContact CA-O 3.45Å; P164-Y237 HydrophobicContact CB-CD1 4.3Å; P164-Y237 HydrophobicContact CB-CE1 4.13Å
165V97.4Very high96.9Very high74 Ų7457.2 Ų57.245%0.44827%0.267SS..SBendtrans-83.3-35.2177.7173.40000111.7K236 Q238 V273V165-K236 HydrophobicContact CB-CB 3.95Å; V165-K236 HydrophobicContact CG2-CB 4.27Å; V165-K236 PolarHBondContact N-O 3.11Å; V165-Q238 HydrophobicContact CG2-CB 3.9Å; V165-V273 HydrophobicContact CG2-CG1 4.1Å; V165-V273 HydrophobicContact CG2-CG2 4.36Å
166D96.8Very high96.8Very high42 Ų4256.6 Ų56.623%0.22527%0.269CS..SBendtrans-149.8167.1177.16029000111.6K168 Y170D166-K168 HydrophobicContact CB-CD 4.48Å; D166-K168 HydrophobicContact CB-CG 4.44Å; D166-K168 PolarHBondContact O-N 2.89Å; D166-K168 WeakPolarHBondContact OD1-CB 3.34Å; D166-K168 PolarHBondContact OD1-N 2.74Å; D166-Y170 WeakPolarHBondContact OD1-CE2 3.38Å; D166-Y170 PolarHBondContact OD2-OH 3.09Å
167N96.7Very high96.8Very high118 Ų11859.8 Ų59.863%0.63129%0.293SS*.SBendtrans-88.448.4176.4-169.85.6000111.1A185N167-A185 PolarHBondContact O-N 2.81Å; N167-A185 VanDerWaalsContact O-N 3.17Å; N167-A185 WeakPolarHBondContact OD1-CB 3.48Å
168K97.6Very high96.7Very high96 Ų9663.9 Ų63.942%0.41731%0.313SS..EExtended strand (participates in β ladder)trans-132.7138.4-175.9-58.2173-173.7164.40112.2D166 Y170 V181 G183 H235D166-K168 HydrophobicContact CB-CD 4.48Å; D166-K168 HydrophobicContact CB-CG 4.44Å; D166-K168 PolarHBondContact O-N 2.89Å; D166-K168 WeakPolarHBondContact OD1-CB 3.34Å; D166-K168 PolarHBondContact OD1-N 2.74Å; K168-Y170 HydrophobicContact CB-CE2 3.93Å; K168-Y170 WeakPolarHBondContact O-CD2 3.14Å; K168-V181 HydrophobicContact CB-CG1 4.32Å; K168-V181 HydrophobicContact CD-CG1 4.43Å; K168-V181 HydrophobicContact CD-CG2 4Å; K168-G183 WeakPolarHBondContact CA-O 3.5Å; K168-H235 PolarHBondContact O-CD2 2.84Å
169R98Very high96.7Very high108 Ų10866.3 Ų66.341%0.40832%0.322SS..EExtended strand (participates in β ladder)trans-94.8137.5168-173.4167.9173.6174.2-2.1109.8A182 G183 N184 D186R169-A182 PolarHBondContact O-N 3Å; R169-G183 PolarHBondContact N-O 3.26Å; R169-G183 PolarHBondContact O-N 3.02Å; R169-N184 WeakPolarHBondContact CB-O 3.31Å; R169-N184 PolarHBondContact N-O 3.41Å; R169-D186 IonicContact CZ-OD1 3.56Å; R169-D186 IonicContact CZ-OD2 3.67Å; R169-D186 IonicContact NE-OD1 3.09Å; R169-D186 IonicContact NE-OD2 3.98Å; R169-D186 VanDerWaalsContact NH1-CG 3.25Å; R169-D186 IonicContact NH1-OD1 3.65Å; R169-D186 PolarHBondContact NH1-OD1 2.96Å; R169-D186 IonicContact NH1-OD2 2.71Å; R169-D186 PolarHBondContact NH1-OD2 3.11Å
170Y98.4Very high96.8Very high20 Ų2070.1 Ų70.18%0.07834%0.34CS..EExtended strand (participates in β ladder)trans-109.3163.8-173.3-73.8-93.7000112.9D166 K168 M180 V181 M234 K236D166-Y170 WeakPolarHBondContact OD1-CE2 3.38Å; D166-Y170 PolarHBondContact OD2-OH 3.09Å; K168-Y170 HydrophobicContact CB-CE2 3.93Å; K168-Y170 WeakPolarHBondContact O-CD2 3.14Å; Y170-M180 CarbonylContact C-O 3.6Å; Y170-M180 WeakPolarHBondContact CA-O 3.03Å; Y170-V181 HydrophobicContact CE1-CG2 4.03Å; Y170-M234 WeakPolarHBondContact CB-O 3.26Å; Y170-M234 PolarHBondContact N-O 3.45Å; Y170-M234 WeakPolarHBondContact O-CB 3.48Å; Y170-K236 HydrophobicContact CD2-CD 4.45Å; Y170-K236 HydrophobicContact CD2-CG 4.18Å; Y170-K236 HydrophobicContact CE1-CD 4.39Å; Y170-K236 HydrophobicContact CE2-CB 4.45Å; Y170-K236 HydrophobicContact CE2-CD 3.7Å; Y170-K236 HydrophobicContact CE2-CG 3.81Å; Y170-K236 VanDerWaalsContact CZ-NZ 3.29Å; Y170-K236 WeakPolarHBondContact OH-CE 3.43Å; Y170-K236 PolarHBondContact OH-NZ 3.05Å
171R97.9Very high96.8Very high122 Ų12273.8 Ų73.846%0.4636%0.362SS..EExtended strand (participates in β ladder)trans-136.9146.1163.366.6-177.5-179.4107.8-7.9110.4V173 M180 A182R171-V173 HydrophobicContact CG-CG2 4.31Å; R171-M180 PolarHBondContact N-O 2.87Å; R171-M180 PolarHBondContact O-N 3.2Å; R171-A182 HydrophobicContact CB-CB 4.16Å; R171-A182 HydrophobicContact CG-CB 4.12Å
172Y98.2Very high96.8Very high18 Ų1876.1 Ų76.17%0.07138%0.384CS..EExtended strand (participates in β ladder)trans-86.8144.7169-166.5-107000110.5Y174 S177 W179 Q281 N282Y172-Y174 AromaticContact CD1-CD1 3.96Å; Y172-Y174 HydrophobicContact CD1-CD1 3.96Å; Y172-Y174 HydrophobicContact CD1-CD2 4.24Å; Y172-Y174 AromaticContact CD1-CE1 3.92Å; Y172-Y174 HydrophobicContact CD1-CE1 3.92Å; Y172-Y174 HydrophobicContact CD1-CE2 4.16Å; Y172-Y174 HydrophobicContact CD1-CG 4.13Å; Y172-Y174 HydrophobicContact CE1-CD1 4.02Å; Y172-Y174 HydrophobicContact CE1-CE1 4.23Å; Y172-Y174 HydrophobicContact CE1-CG 4.4Å; Y172-S177 VanDerWaalsContact OH-CA 3.31Å; Y172-S177 WeakPolarHBondContact OH-CA 3.5Å; Y172-S177 WeakPolarHBondContact OH-CB 3.36Å; Y172-S177 PolarHBondContact OH-O 3.05Å; Y172-W179 AromaticContact CD2-CD1 3.92Å; Y172-W179 AromaticContact CD2-CD2 3.87Å; Y172-W179 HydrophobicContact CD2-CD2 3.87Å; Y172-W179 AromaticContact CD2-CE2 3.75Å; Y172-W179 HydrophobicContact CD2-CE3 4.49Å; Y172-W179 AromaticContact CD2-CG 4Å; Y172-W179 HydrophobicContact CD2-CG 4Å; Y172-W179 HydrophobicContact CD2-CZ2 4.29Å; Y172-W179 AromaticContact CD2-NE1 3.75Å; Y172-Q281 HydrophobicContact CD1-CB 3.76Å; Y172-Q281 HydrophobicContact CD2-CB 4.24Å; Y172-Q281 HydrophobicContact CE1-CB 4.48Å; Y172-Q281 HydrophobicContact CG-CB 3.6Å; Y172-Q281 HydrophobicContact CG-CG 4.47Å; Y172-N282 HydrophobicContact CE2-CB 4.07Å
173V97.6Very high96.7Very high5 Ų576.7 Ų76.73%0.0339%0.394CS..EExtended strand (participates in β ladder)trans-123.593.1-173.5-174.60000108.6R171 H175 S176 S177 K178 M180R171-V173 HydrophobicContact CG-CG2 4.31Å; V173-H175 WeakPolarHBondContact CG1-NE2 3.49Å; V173-H175 PolarHBondContact O-N 2.95Å; V173-S176 WeakPolarHBondContact CG1-OG 3.45Å; V173-S176 CarbonylContact O-C 3.57Å; V173-S176 PolarHBondContact O-N 3.06Å; V173-S176 VanDerWaalsContact O-N 3.13Å; V173-S176 PolarHBondContact O-OG 3.05Å; V173-S177 WeakPolarHBondContact O-CA 3.3Å; V173-S177 PolarHBondContact O-N 3.37Å; V173-K178 WeakPolarHBondContact CB-O 3.45Å; V173-K178 PolarHBondContact N-O 3.26Å; V173-K178 PolarHBondContact O-N 2.81Å; V173-M180 HydrophobicContact CG2-CB 4.1Å; V173-M180 HydrophobicContact CG2-CE 3.94Å; V173-M180 HydrophobicContact CG2-CG 3.71Å; V173-M180 HydrophobicContact CG2-SD 4.32Å
174Y95.8Very high96.7Very high126 Ų12680.1 Ų80.149%0.49441%0.413SS..G310 helixtrans-56.4-43.8-168.7-67.5-90000114Y172 S176 S177 Q281Y172-Y174 AromaticContact CD1-CD1 3.96Å; Y172-Y174 HydrophobicContact CD1-CD1 3.96Å; Y172-Y174 HydrophobicContact CD1-CD2 4.24Å; Y172-Y174 AromaticContact CD1-CE1 3.92Å; Y172-Y174 HydrophobicContact CD1-CE1 3.92Å; Y172-Y174 HydrophobicContact CD1-CE2 4.16Å; Y172-Y174 HydrophobicContact CD1-CG 4.13Å; Y172-Y174 HydrophobicContact CE1-CD1 4.02Å; Y172-Y174 HydrophobicContact CE1-CE1 4.23Å; Y172-Y174 HydrophobicContact CE1-CG 4.4Å; Y174-S176 PolarHBondContact O-N 2.91Å; Y174-S177 PolarHBondContact O-N 2.85Å; Y174-Q281 PolarHBondContact OH-OE1 3.32Å
175H94.4Very high96.7Very high176 Ų17677.3 Ų77.382%0.81540%0.397SS*.G310 helixtrans-69.3-14.1-17866.578.6000114.4V173V173-H175 WeakPolarHBondContact CG1-NE2 3.49Å; V173-H175 PolarHBondContact O-N 2.95Å
176S93.9Very high96.4Very high46 Ų4676.4 Ų76.432%0.32239%0.39SS..G310 helixtrans-118.83.117462.10000113.1V173 Y174 K178V173-S176 WeakPolarHBondContact CG1-OG 3.45Å; V173-S176 CarbonylContact O-C 3.57Å; V173-S176 PolarHBondContact O-N 3.06Å; V173-S176 VanDerWaalsContact O-N 3.13Å; V173-S176 PolarHBondContact O-OG 3.05Å; Y174-S176 PolarHBondContact O-N 2.91Å; S176-K178 VanDerWaalsContact O-CG 3.3Å; S176-K178 WeakPolarHBondContact O-CG 3.48Å; S176-K178 PolarHBondContact O-N 3.08Å
177S94.7Very high96.2Very high79 Ų7979.1 Ų79.155%0.55241%0.412SS*.THydrogen-bonded Turntrans46.139.2-174.5-64.30000114.6Y172 V173 Y174Y172-S177 VanDerWaalsContact OH-CA 3.31Å; Y172-S177 WeakPolarHBondContact OH-CA 3.5Å; Y172-S177 WeakPolarHBondContact OH-CB 3.36Å; Y172-S177 PolarHBondContact OH-O 3.05Å; V173-S177 WeakPolarHBondContact O-CA 3.3Å; V173-S177 PolarHBondContact O-N 3.37Å; Y174-S177 PolarHBondContact O-N 2.85Å
178K94.7Very high95.9Very high138 Ų13879.6 Ų79.660%0.642%0.422SS*.EExtended strand (participates in β ladder)trans-128.2145-172-79.6166.2-173.1-1780113.2V173 S176V173-K178 WeakPolarHBondContact CB-O 3.45Å; V173-K178 PolarHBondContact N-O 3.26Å; V173-K178 PolarHBondContact O-N 2.81Å; S176-K178 VanDerWaalsContact O-CG 3.3Å; S176-K178 WeakPolarHBondContact O-CG 3.48Å; S176-K178 PolarHBondContact O-N 3.08Å
179W97.2Very high95.4Very high51 Ų5176.7 Ų76.719%0.19341%0.412CS..EExtended strand (participates in β ladder)trans-76.6130.3164.5-74.3101.9000110.2E129 Y172 M234 T275 V277 Q281E129-W179 HydrophobicContact CG-CZ2 4.04Å; Y172-W179 AromaticContact CD2-CD1 3.92Å; Y172-W179 AromaticContact CD2-CD2 3.87Å; Y172-W179 HydrophobicContact CD2-CD2 3.87Å; Y172-W179 AromaticContact CD2-CE2 3.75Å; Y172-W179 HydrophobicContact CD2-CE3 4.49Å; Y172-W179 AromaticContact CD2-CG 4Å; Y172-W179 HydrophobicContact CD2-CG 4Å; Y172-W179 HydrophobicContact CD2-CZ2 4.29Å; Y172-W179 AromaticContact CD2-NE1 3.75Å; W179-M234 HydrophobicContact CH2-CE 3.92Å; W179-M234 HydrophobicContact CH2-SD 4.34Å; W179-M234 HydrophobicContact CZ3-CE 3.65Å; W179-M234 HydrophobicContact CZ3-SD 4.44Å; W179-T275 HydrophobicContact CE3-CG2 4.39Å; W179-T275 HydrophobicContact CH2-CG2 3.66Å; W179-T275 HydrophobicContact CZ2-CG2 3.99Å; W179-T275 HydrophobicContact CZ3-CG2 3.88Å; W179-V277 HydrophobicContact CH2-CG1 3.86Å; W179-V277 HydrophobicContact CZ2-CG1 4.26Å; W179-Q281 HydrophobicContact CH2-CB 4.37Å; W179-Q281 HydrophobicContact CH2-CG 3.83Å; W179-Q281 HydrophobicContact CZ2-CB 4.18Å; W179-Q281 HydrophobicContact CZ2-CG 4.11Å
180M97.2Very high94.9Very high80 Ų8075.5 Ų75.539%0.39442%0.418SS..EExtended strand (participates in β ladder)trans-126.5154.6172.8-59-149.3-48.100110.6Y170 R171 V173Y170-M180 CarbonylContact C-O 3.6Å; Y170-M180 WeakPolarHBondContact CA-O 3.03Å; R171-M180 PolarHBondContact N-O 2.87Å; R171-M180 PolarHBondContact O-N 3.2Å; V173-M180 HydrophobicContact CG2-CB 4.1Å; V173-M180 HydrophobicContact CG2-CE 3.94Å; V173-M180 HydrophobicContact CG2-CG 3.71Å; V173-M180 HydrophobicContact CG2-SD 4.32Å
181V98Very high94.4Very high76 Ų7678.1 Ų78.146%0.46144%0.438SS..EExtended strand (participates in β ladder)trans-67.7137.4171.2-178.80000109K168 Y170K168-V181 HydrophobicContact CB-CG1 4.32Å; K168-V181 HydrophobicContact CD-CG1 4.43Å; K168-V181 HydrophobicContact CD-CG2 4Å; Y170-V181 HydrophobicContact CE1-CG2 4.03Å
182A96.9Very high94.2Very high62 Ų6274.4 Ų74.451%0.51242%0.424SS..EExtended strand (participates in β ladder)trans-108.5-27.7175.700000112.4R169 R171R169-A182 PolarHBondContact O-N 3Å; R171-A182 HydrophobicContact CB-CB 4.16Å; R171-A182 HydrophobicContact CG-CB 4.12Å
183G96.7Very high94Very high31 Ų3173.8 Ų73.832%0.3242%0.422SS..EExtended strand (participates in β ladder)trans174.2-165176.700000112.2K168 R169K168-G183 WeakPolarHBondContact CA-O 3.5Å; R169-G183 PolarHBondContact N-O 3.26Å; R169-G183 PolarHBondContact O-N 3.02Å
184N96.4Very high94Very high129 Ų12975.5 Ų75.569%0.6943%0.428SS*.EExtended strand (participates in β ladder)trans-60161.6166.7-61.566.8000111.2R169R169-N184 WeakPolarHBondContact CB-O 3.31Å; R169-N184 PolarHBondContact N-O 3.41Å
185A95.4Very high94Very high27 Ų2771.6 Ų71.622%0.22342%0.415CS..PPolyproline II helixtrans-70.1158.9173.600000112.7N167 H235N167-A185 PolarHBondContact O-N 2.81Å; N167-A185 VanDerWaalsContact O-N 3.17Å; N167-A185 WeakPolarHBondContact OD1-CB 3.48Å; A185-H235 VanDerWaalsContact CA-NE2 3.26Å; A185-H235 WeakPolarHBondContact CA-NE2 3.43Å; A185-H235 WeakPolarHBondContact CB-NE2 3.48Å
186D93.1Very high94.1Very high55 Ų5563.7 Ų63.729%0.29438%0.379SS..PPolyproline II helixtrans-71.9154.1166.5-58.8-31.2000110.1R169 H235R169-D186 IonicContact CZ-OD1 3.56Å; R169-D186 IonicContact CZ-OD2 3.67Å; R169-D186 IonicContact NE-OD1 3.09Å; R169-D186 IonicContact NE-OD2 3.98Å; R169-D186 VanDerWaalsContact NH1-CG 3.25Å; R169-D186 IonicContact NH1-OD1 3.65Å; R169-D186 PolarHBondContact NH1-OD1 2.96Å; R169-D186 IonicContact NH1-OD2 2.71Å; R169-D186 PolarHBondContact NH1-OD2 3.11Å; D186-H235 PolarHBondContact N-NE2 2.86Å; D186-H235 VanDerWaalsContact N-NE2 3.11Å; D186-H235 IonicContact OD2-CE1 2.74Å; D186-H235 PolarHBondContact OD2-CE1 2.98Å; D186-H235 VanDerWaalsContact OD2-CE1 3.3Å
187S92.4Very high94.2Very high99 Ų9965 Ų6569%0.69239%0.386SS*.PPolyproline II helixtrans-51.5138.7-172.4-60.30000113.7V189 H232S187-V189 PolarHBondContact O-N 3Å; S187-H232 PolarHBondContact O-CD2 3.3Å; S187-H232 PolarHBondContact O-NE2 3.24Å
188P88.9Confident94.3Very high128 Ų12865.3 Ų65.383%0.83138%0.381SS*.PPolyproline II helixtrans-61.8130.5-175.826-34.8000112.4
189V88.3Confident94.3Very high35 Ų3559.9 Ų59.921%0.21236%0.361CS..PPolyproline II helixtrans-75.5154.6175.2-61.90000111.3S187 I230S187-V189 PolarHBondContact O-N 3Å; V189-I230 HydrophobicContact CB-CG2 4.24Å; V189-I230 HydrophobicContact CG1-CG2 3.96Å; V189-I230 HydrophobicContact CG2-CB 4.5Å; V189-I230 HydrophobicContact CG2-CG2 4.45Å
190P87.6Confident94.3Very high83 Ų8360 Ų6054%0.53937%0.368SS..PPolyproline II helixtrans-54.8134.1173.2-26.335.5000111.8R192P190-R192 PolarHBondContact O-N 2.83Å
191P87.2Confident94.2Very high75 Ų7556.9 Ų56.949%0.48736%0.355SS..PPolyproline II helixtrans-55.4138.5179.2-27.235.3000112.6V255 A257P191-V255 CarbonylContact O-C 3.59Å; P191-A257 HydrophobicContact CB-CB 4.38Å
192R93.4Very high94.2Very high43 Ų4354.2 Ų54.216%0.16234%0.34CS..  trans-134.6138.5174.1-72.3-166.9174-160-5.6112.2P190 D224 H228 I230 P254P190-R192 PolarHBondContact O-N 2.83Å; R192-D224 VanDerWaalsContact CZ-O 3.23Å; R192-D224 PolarHBondContact NH1-O 2.86Å; R192-D224 IonicContact NH1-OD2 3.39Å; R192-D224 PolarHBondContact NH1-OD2 3.02Å; R192-D224 VanDerWaalsContact NH1-OD2 3.09Å; R192-D224 PolarHBondContact NH2-O 2.86Å; R192-H228 WeakPolarHBondContact CD-O 3.05Å; R192-H228 PolarHBondContact NH1-O 3.32Å; R192-I230 VanDerWaalsContact CZ-CD1 3.43Å; R192-P254 WeakPolarHBondContact CA-O 3.47Å
193V94.5Very high94.2Very high6 Ų651.3 Ų51.34%0.03632%0.316CS..  trans-120.7125.6-175.6170.30000109A159 D161 I195 P254 R256 I258A159-V193 HydrophobicContact CB-CG1 3.82Å; D161-V193 HydrophobicContact CB-CG2 4.39Å; V193-I195 HydrophobicContact CG1-CG1 3.99Å; V193-P254 PolarHBondContact N-O 2.97Å; V193-R256 WeakPolarHBondContact CG2-O 3.4Å; V193-I258 HydrophobicContact CB-CD1 4.26Å; V193-I258 HydrophobicContact CG1-CD1 3.53Å; V193-I258 HydrophobicContact CG2-CD1 3.64Å; V193-I258 HydrophobicContact CG2-CG1 3.79Å
194Y96.8Very high94.3Very high41 Ų4154.3 Ų54.316%0.16132%0.321CS..EExtended strand (participates in β ladder)trans-88.5107.6167.6-177.2-90.6000109.4A159 M160 F213 K215 L216A159-Y194 CarbonylContact C-O 3.57Å; A159-Y194 VanDerWaalsContact CA-O 3.29Å; A159-Y194 WeakPolarHBondContact CA-O 3.18Å; M160-Y194 PolarHBondContact N-O 2.64Å; M160-Y194 PolarHBondContact O-N 3.08Å; Y194-F213 AromaticContact CD1-CD1 3.68Å; Y194-F213 HydrophobicContact CD1-CD1 3.68Å; Y194-F213 HydrophobicContact CD1-CE1 4.19Å; Y194-F213 AromaticContact CE1-CD1 3.83Å; Y194-F213 HydrophobicContact CE1-CD1 3.83Å; Y194-K215 WeakPolarHBondContact OH-CB 3.39Å; Y194-L216 HydrophobicContact CD1-CB 4.31Å; Y194-L216 HydrophobicContact CD1-CD1 3.82Å; Y194-L216 HydrophobicContact CD1-CG 4.29Å; Y194-L216 HydrophobicContact CD2-CB 4.16Å; Y194-L216 HydrophobicContact CD2-CD1 4.29Å; Y194-L216 HydrophobicContact CD2-CG 3.98Å; Y194-L216 HydrophobicContact CE1-CB 4.41Å; Y194-L216 HydrophobicContact CE2-CB 4.29Å; Y194-L216 HydrophobicContact CG-CB 4.17Å; Y194-L216 HydrophobicContact CG-CD1 3.6Å; Y194-L216 HydrophobicContact CG-CG 3.81Å
195I95.9Very high94.3Very high44 Ų4451 Ų5123%0.22631%0.306CS..EExtended strand (participates in β ladder)trans-81.8131.2171.4-54.2178000107.9Y157 V193 P254Y157-I195 HydrophobicContact CD1-CG2 4.41Å; V193-I195 HydrophobicContact CG1-CG1 3.99Å; I195-P254 HydrophobicContact CD1-CG 4.28Å
196H97Very high94.4Very high10 Ų1050.1 Ų50.15%0.04630%0.297CS..  trans-64.6132.5177.6-170.2-90.8000109.5I158 D198 S199 W206 V211 S212 F213I158-H196 HydrophobicContact CB-CB 4.29Å; I158-H196 HydrophobicContact CG2-CB 4.49Å; I158-H196 WeakPolarHBondContact O-CB 3.29Å; I158-H196 PolarHBondContact O-N 2.96Å; H196-D198 VanDerWaalsContact CE1-CG 3.47Å; H196-D198 IonicContact CE1-OD1 3.88Å; H196-D198 IonicContact CE1-OD2 3.46Å; H196-D198 PolarHBondContact CE1-OD2 2.84Å; H196-D198 VanDerWaalsContact CE1-OD2 3.31Å; H196-D198 PolarHBondContact ND1-N 3.14Å; H196-D198 IonicContact ND1-OD2 2.68Å; H196-D198 PolarHBondContact O-N 2.82Å; H196-S199 WeakPolarHBondContact O-CB 3.48Å; H196-S199 PolarHBondContact O-N 3.33Å; H196-S199 PolarHBondContact O-OG 3.34Å; H196-W206 HydrophobicContact CB-CH2 4.11Å; H196-W206 AromaticContact CE1-CZ3 4Å; H196-W206 AromaticContact ND1-CH2 3.48Å; H196-W206 WeakPolarHBondContact ND1-CH2 3.08Å; H196-W206 AromaticContact ND1-CZ3 3.49Å; H196-W206 WeakPolarHBondContact ND1-CZ3 3.35Å; H196-V211 VanDerWaalsContact CD2-CG1 3.48Å; H196-V211 WeakPolarHBondContact CD2-CG1 3.48Å; H196-S212 PolarHBondContact CD2-O 3.13Å; H196-S212 PolarHBondContact NE2-O 2.94Å; H196-F213 HydrophobicContact CB-CE1 4.28Å
197P96.4Very high94.7Very high72 Ų7250 Ų5047%0.46830%0.295SS..THydrogen-bonded Turntrans-62-23-169.323.4-35000114.2S199 K215P197-S199 PolarHBondContact O-N 2.95Å; P197-K215 HydrophobicContact CG-CD 4.33Å
198D96.4Very high94.9Very high86 Ų8652.6 Ų52.646%0.4629%0.29SS..THydrogen-bonded Turntrans-82.510.3178.1-48.41.1000112.2H196 A201 W206H196-D198 VanDerWaalsContact CE1-CG 3.47Å; H196-D198 IonicContact CE1-OD1 3.88Å; H196-D198 IonicContact CE1-OD2 3.46Å; H196-D198 PolarHBondContact CE1-OD2 2.84Å; H196-D198 VanDerWaalsContact CE1-OD2 3.31Å; H196-D198 PolarHBondContact ND1-N 3.14Å; H196-D198 IonicContact ND1-OD2 2.68Å; H196-D198 PolarHBondContact O-N 2.82Å; D198-A201 WeakPolarHBondContact O-CB 3.26Å; D198-W206 HydrophobicContact CB-CH2 4.05Å; D198-W206 HydrophobicContact CB-CZ3 4.38Å
199S95.3Very high95.3Very high24 Ų2452.8 Ų52.817%0.16828%0.28CS..  trans-94.1142.8179.8-510000112.8I158 H196 P197 W206I158-S199 PolarHBondContact N-OG 3.2Å; I158-S199 PolarHBondContact O-OG 2.82Å; H196-S199 WeakPolarHBondContact O-CB 3.48Å; H196-S199 PolarHBondContact O-N 3.33Å; H196-S199 PolarHBondContact O-OG 3.34Å; P197-S199 PolarHBondContact O-N 2.95Å; S199-W206 WeakPolarHBondContact OG-CZ2 3.34Å
200P95.7Very high95.8Very high54 Ų5453 Ų5335%0.35128%0.281SS..SBendcis-79.4149.7-6.332.7-33.5000112.1Y156 Y157Y156-P200 WeakPolarHBondContact O-CA 3.12Å; Y157-P200 HydrophobicContact CD1-CB 4.18Å; Y157-P200 HydrophobicContact CD2-CB 4.26Å; Y157-P200 HydrophobicContact CE1-CB 3.91Å; Y157-P200 HydrophobicContact CE1-CG 4.03Å; Y157-P200 HydrophobicContact CE2-CB 3.99Å; Y157-P200 HydrophobicContact CE2-CG 4.49Å; Y157-P200 HydrophobicContact CG-CB 4.34Å
201A96.9Very high96.3Very high15 Ų1549.5 Ų49.512%0.12426%0.258CS..EExtended strand (participates in β ladder)trans-142.9168.4172.200000111.7Y156 D198 T205 W206Y156-A201 PolarHBondContact N-O 2.92Å; Y156-A201 PolarHBondContact O-N 3.48Å; Y156-A201 VanDerWaalsContact O-N 3.08Å; D198-A201 WeakPolarHBondContact O-CB 3.26Å; A201-T205 HydrophobicContact CB-CG2 4.09Å; A201-W206 HydrophobicContact CB-CZ2 4.1Å; A201-W206 PolarHBondContact O-NE1 3.14Å; A201-W206 VanDerWaalsContact O-NE1 3.14Å
202S97.3Very high96.8Very high20 Ų2047.2 Ų47.214%0.1424%0.244CC..EExtended strand (participates in β ladder)trans-69.2152.8179.270.20000112.6P152 Q154 E204 T205 W206P152-S202 WeakPolarHBondContact O-CB 3.41Å; Q154-S202 CarbonylContact O-C 3.52Å; Q154-S202 VanDerWaalsContact O-CA 3.3Å; Q154-S202 WeakPolarHBondContact O-CA 3.4Å; S202-E204 PolarHBondContact O-N 3.26Å; S202-T205 WeakPolarHBondContact O-CA 3.48Å; S202-T205 WeakPolarHBondContact O-CB 3.31Å; S202-T205 PolarHBondContact O-N 3.26Å; S202-T205 PolarHBondContact OG-N 3.11Å; S202-T205 PolarHBondContact OG-OG1 3.21Å; S202-W206 PolarHBondContact O-N 2.84Å
203G97Very high97Very high0 Ų045.2 Ų45.20%024%0.236CC..Hα-helixtrans-57.1-36.3172.800000112.5D151 Q154 T205 W206 M207D151-G203 WeakPolarHBondContact O-CA 3.24Å; Q154-G203 PolarHBondContact O-N 3.33Å; G203-T205 VanDerWaalsContact C-N 3.3Å; G203-T205 PolarHBondContact O-N 2.87Å; G203-W206 PolarHBondContact O-N 3.02Å; G203-M207 WeakPolarHBondContact O-CB 3.35Å; G203-M207 VanDerWaalsContact O-CG 3.28Å; G203-M207 WeakPolarHBondContact O-CG 3.42Å; G203-M207 PolarHBondContact O-N 3.02Å
204E97.6Very high97.1Very high94 Ų9447.6 Ų47.644%0.43925%0.249SC..Hα-helixtrans-60.2-40.3173.7-160.4-141.7147.800111.7P152 S202 R208P152-E204 HydrophobicContact CB-CB 4.01Å; P152-E204 HydrophobicContact CB-CG 4.43Å; P152-E204 WeakPolarHBondContact O-CB 3.4Å; P152-E204 PolarHBondContact O-N 3.4Å; P152-E204 VanDerWaalsContact O-N 3.13Å; S202-E204 PolarHBondContact O-N 3.26Å; E204-R208 WeakPolarHBondContact O-CB 3.49Å; E204-R208 PolarHBondContact O-N 3.38Å; E204-R208 VanDerWaalsContact O-N 3.15Å; E204-R208 IonicContact OE1-CZ 3.16Å; E204-R208 IonicContact OE1-NH1 2.69Å; E204-R208 PolarHBondContact OE1-NH1 2.85Å; E204-R208 IonicContact OE1-NH2 3.56Å; E204-R208 PolarHBondContact OE1-NH2 3.04Å; E204-R208 IonicContact OE2-NH2 3.54Å; E204-R208 PolarHBondContact OE2-NH2 2.91Å
205T97.8Very high97.1Very high60 Ų6051.1 Ų51.137%0.36827%0.265SS..Hα-helixtrans-67.5-42.9178-57.90000111.5A201 S202 G203 R208A201-T205 HydrophobicContact CB-CG2 4.09Å; S202-T205 WeakPolarHBondContact O-CA 3.48Å; S202-T205 WeakPolarHBondContact O-CB 3.31Å; S202-T205 PolarHBondContact O-N 3.26Å; S202-T205 PolarHBondContact OG-N 3.11Å; S202-T205 PolarHBondContact OG-OG1 3.21Å; G203-T205 VanDerWaalsContact C-N 3.3Å; G203-T205 PolarHBondContact O-N 2.87Å; T205-R208 WeakPolarHBondContact O-CB 3.48Å; T205-R208 PolarHBondContact O-N 3Å
206W98Very high97.3Very high9 Ų949 Ų493%0.03425%0.254CS..Hα-helixtrans-68.6-34.8178.2-69.7122.2000113.7L150 Y156 I158 H196 D198 S199 A201 S202 G203 R208 V211L150-W206 HydrophobicContact CD1-CB 3.69Å; L150-W206 HydrophobicContact CD1-CG 4.37Å; Y156-W206 PolarHBondContact O-NE1 3.28Å; I158-W206 HydrophobicContact CB-CE3 4.39Å; I158-W206 HydrophobicContact CB-CH2 3.82Å; I158-W206 HydrophobicContact CB-CZ2 3.99Å; I158-W206 HydrophobicContact CB-CZ3 4.03Å; I158-W206 HydrophobicContact CD1-CD2 4.43Å; I158-W206 HydrophobicContact CG1-CD2 3.48Å; I158-W206 VanDerWaalsContact CG1-CD2 3.48Å; I158-W206 VanDerWaalsContact CG1-CE2 3.45Å; I158-W206 HydrophobicContact CG1-CE3 3.66Å; I158-W206 HydrophobicContact CG1-CG 4.1Å; I158-W206 HydrophobicContact CG1-CH2 3.78Å; I158-W206 HydrophobicContact CG1-CZ2 3.61Å; I158-W206 HydrophobicContact CG1-CZ3 3.8Å; H196-W206 HydrophobicContact CB-CH2 4.11Å; H196-W206 AromaticContact CE1-CZ3 4Å; H196-W206 AromaticContact ND1-CH2 3.48Å; H196-W206 WeakPolarHBondContact ND1-CH2 3.08Å; H196-W206 AromaticContact ND1-CZ3 3.49Å; H196-W206 WeakPolarHBondContact ND1-CZ3 3.35Å; D198-W206 HydrophobicContact CB-CH2 4.05Å; D198-W206 HydrophobicContact CB-CZ3 4.38Å; S199-W206 WeakPolarHBondContact OG-CZ2 3.34Å; A201-W206 HydrophobicContact CB-CZ2 4.1Å; A201-W206 PolarHBondContact O-NE1 3.14Å; A201-W206 VanDerWaalsContact O-NE1 3.14Å; S202-W206 PolarHBondContact O-N 2.84Å; G203-W206 PolarHBondContact O-N 3.02Å; W206-R208 VanDerWaalsContact C-N 3.34Å; W206-V211 HydrophobicContact CE3-CG1 4.47Å; W206-V211 HydrophobicContact CE3-CG2 3.73Å; W206-V211 HydrophobicContact CZ3-CG1 4.04Å; W206-V211 HydrophobicContact CZ3-CG2 4.12Å
207M97.9Very high97.3Very high53 Ų5351.8 Ų51.826%0.26127%0.266SS..Hα-helixtrans-78.5-17.7177.1-65.5-171-68.300113.1I147 G149 L150 P152 G203 Q209I147-M207 WeakPolarHBondContact O-CG 3.41Å; G149-M207 PolarHBondContact N-SD 3.27Å; L150-M207 HydrophobicContact CB-CE 4.06Å; L150-M207 HydrophobicContact CB-CG 4.21Å; L150-M207 HydrophobicContact CB-SD 3.93Å; L150-M207 HydrophobicContact CD1-CG 4.18Å; L150-M207 HydrophobicContact CG-CG 4.25Å; L150-M207 HydrophobicContact CG-SD 4.41Å; L150-M207 PolarHBondContact N-SD 3.05Å; L150-M207 VanDerWaalsContact N-SD 3.36Å; L150-M207 WeakPolarHBondContact O-CE 3.49Å; P152-M207 HydrophobicContact CG-CE 4.3Å; G203-M207 WeakPolarHBondContact O-CB 3.35Å; G203-M207 VanDerWaalsContact O-CG 3.28Å; G203-M207 WeakPolarHBondContact O-CG 3.42Å; G203-M207 PolarHBondContact O-N 3.02Å; M207-Q209 VanDerWaalsContact C-N 3.31Å; M207-Q209 PolarHBondContact O-N 3.06Å
208R97.6Very high97.4Very high153 Ų15348.4 Ų48.458%0.57724%0.244SC*.SBendtrans-63.6-30.3-176.5-156.9-176.1-52.7-71.32.3114.1E204 T205 W206E204-R208 WeakPolarHBondContact O-CB 3.49Å; E204-R208 PolarHBondContact O-N 3.38Å; E204-R208 VanDerWaalsContact O-N 3.15Å; E204-R208 IonicContact OE1-CZ 3.16Å; E204-R208 IonicContact OE1-NH1 2.69Å; E204-R208 PolarHBondContact OE1-NH1 2.85Å; E204-R208 IonicContact OE1-NH2 3.56Å; E204-R208 PolarHBondContact OE1-NH2 3.04Å; E204-R208 IonicContact OE2-NH2 3.54Å; E204-R208 PolarHBondContact OE2-NH2 2.91Å; T205-R208 WeakPolarHBondContact O-CB 3.48Å; T205-R208 PolarHBondContact O-N 3Å; W206-R208 VanDerWaalsContact C-N 3.34Å
209Q96.8Very high97.5Very high131 Ų13144.3 Ų44.361%0.61222%0.222SC*.SBendtrans-154.1172.7-175.164.5175.8-5.400113.5M207 V211M207-Q209 VanDerWaalsContact C-N 3.31Å; M207-Q209 PolarHBondContact O-N 3.06Å; Q209-V211 PolarHBondContact O-N 3.26Å
210V98.1Very high97.6Very high41 Ų4146.8 Ų46.825%0.24823%0.234CC..  trans-74.2116.6176.9174.90000111Q115 R144 V145 K146Q115-V210 HydrophobicContact CB-CG1 4.09Å; Q115-V210 HydrophobicContact CG-CG1 3.76Å; Q115-V210 HydrophobicContact CG-CG2 3.92Å; R144-V210 HydrophobicContact CB-CG1 3.91Å; V145-V210 CarbonylContact O-C 3.5Å; V145-V210 WeakPolarHBondContact O-CA 3.28Å; K146-V210 HydrophobicContact CB-CG2 4.42Å
211V98.4Very high97.6Very high8 Ų846 Ų465%0.04823%0.227CC..EExtended strand (participates in β ladder)trans-68.1140.9173.7-172.50000110.1R144 V145 I147 I158 H196 W206 Q209 F213R144-V211 VanDerWaalsContact CA-O 3.28Å; R144-V211 WeakPolarHBondContact CA-O 3.38Å; V145-V211 HydrophobicContact CG2-CB 4.03Å; V145-V211 PolarHBondContact N-O 3.05Å; V145-V211 PolarHBondContact O-N 3.12Å; I147-V211 HydrophobicContact CD1-CG2 4.06Å; I147-V211 HydrophobicContact CG1-CG2 4.42Å; I158-V211 HydrophobicContact CG2-CG1 4.14Å; H196-V211 VanDerWaalsContact CD2-CG1 3.48Å; H196-V211 WeakPolarHBondContact CD2-CG1 3.48Å; W206-V211 HydrophobicContact CE3-CG1 4.47Å; W206-V211 HydrophobicContact CE3-CG2 3.73Å; W206-V211 HydrophobicContact CZ3-CG1 4.04Å; W206-V211 HydrophobicContact CZ3-CG2 4.12Å; Q209-V211 PolarHBondContact O-N 3.26Å; V211-F213 HydrophobicContact CG1-CZ 4.48Å
212S98.1Very high97.5Very high27 Ų2751.1 Ų51.119%0.18925%0.248CC..EExtended strand (participates in β ladder)trans-133.1118.6-169-1750000113H196 D214H196-S212 PolarHBondContact CD2-O 3.13Å; H196-S212 PolarHBondContact NE2-O 2.94Å; S212-D214 VanDerWaalsContact C-N 3.29Å; S212-D214 PolarHBondContact O-N 3.22Å; S212-D214 PolarHBondContact OG-OD1 3.43Å
213F98.3Very high97.3Very high1 Ų157.4 Ų57.40%0.00428%0.279CS..  trans-93.729.4173.8-58-80.1000112.1M143 V145 I158 M160 Y194 H196 V211 K215 L216 V241M143-F213 HydrophobicContact CB-CB 4.08Å; M143-F213 HydrophobicContact CB-CD2 3.92Å; M143-F213 HydrophobicContact CB-CG 4.4Å; M143-F213 PolarHBondContact O-N 3.36Å; V145-F213 HydrophobicContact CG2-CE2 4.32Å; I158-F213 HydrophobicContact CG2-CE1 4.48Å; I158-F213 HydrophobicContact CG2-CZ 3.84Å; M160-F213 HydrophobicContact CB-CD1 3.95Å; M160-F213 HydrophobicContact CB-CE1 3.72Å; M160-F213 HydrophobicContact CB-CG 4.46Å; M160-F213 HydrophobicContact CB-CZ 4.03Å; M160-F213 HydrophobicContact SD-CB 4.39Å; M160-F213 HydrophobicContact SD-CD2 4.3Å; M160-F213 HydrophobicContact SD-CG 4.17Å; Y194-F213 AromaticContact CD1-CD1 3.68Å; Y194-F213 HydrophobicContact CD1-CD1 3.68Å; Y194-F213 HydrophobicContact CD1-CE1 4.19Å; Y194-F213 AromaticContact CE1-CD1 3.83Å; Y194-F213 HydrophobicContact CE1-CD1 3.83Å; H196-F213 HydrophobicContact CB-CE1 4.28Å; V211-F213 HydrophobicContact CG1-CZ 4.48Å; F213-K215 PolarHBondContact O-N 3.02Å; F213-L216 HydrophobicContact CB-CB 4.3Å; F213-L216 HydrophobicContact CB-CD1 4.34Å; F213-L216 WeakPolarHBondContact O-CB 3.28Å; F213-L216 PolarHBondContact O-N 3.26Å; F213-L216 VanDerWaalsContact O-N 3.14Å; F213-V241 HydrophobicContact CE2-CG1 4.26Å; F213-V241 HydrophobicContact CE2-CG2 3.95Å; F213-V241 HydrophobicContact CZ-CG1 4.19Å; F213-V241 HydrophobicContact CZ-CG2 4.42Å
214D96.8Very high97.1Very high57 Ų5757.6 Ų57.631%0.30528%0.28SS..THydrogen-bonded Turntrans-67.2-22.6-178.272.3-82.1000113.8R138 A142 S212R138-D214 WeakPolarHBondContact CD-O 3.46Å; R138-D214 WeakPolarHBondContact CG-O 3.48Å; R138-D214 IonicContact CZ-OD2 3.58Å; R138-D214 PolarHBondContact NE-O 3.06Å; R138-D214 PolarHBondContact NH1-O 2.63Å; R138-D214 IonicContact NH1-OD2 2.81Å; R138-D214 PolarHBondContact NH1-OD2 3.2Å; A142-D214 HydrophobicContact CB-CB 4.05Å; S212-D214 VanDerWaalsContact C-N 3.29Å; S212-D214 PolarHBondContact O-N 3.22Å; S212-D214 PolarHBondContact OG-OD1 3.43Å
215K96.9Very high96.9Very high114 Ų11459.5 Ų59.550%0.49629%0.294SS..THydrogen-bonded Turntrans-79.5-17.3175.6-64.4172.3-172.6167.20112.5Y194 P197 F213Y194-K215 WeakPolarHBondContact OH-CB 3.39Å; P197-K215 HydrophobicContact CG-CD 4.33Å; F213-K215 PolarHBondContact O-N 3.02Å
216L98.1Very high96.7Very high1 Ų162.8 Ų62.81%0.00531%0.305CS..  trans-63.2137.8179.9-168.7157.1000110.7R138 M139 M160 Y194 F213 L218 I229R138-L216 WeakPolarHBondContact CA-O 3.23Å; M139-L216 HydrophobicContact CE-CD1 4.41Å; M139-L216 HydrophobicContact CE-CD2 4.06Å; M139-L216 HydrophobicContact CG-CD2 4.35Å; M139-L216 HydrophobicContact SD-CD2 4.19Å; M160-L216 HydrophobicContact CB-CD1 4.22Å; M160-L216 HydrophobicContact CE-CD1 3.47Å; M160-L216 VanDerWaalsContact CE-CD1 3.47Å; M160-L216 HydrophobicContact CE-CD2 4.41Å; M160-L216 HydrophobicContact SD-CD1 3.83Å; Y194-L216 HydrophobicContact CD1-CB 4.31Å; Y194-L216 HydrophobicContact CD1-CD1 3.82Å; Y194-L216 HydrophobicContact CD1-CG 4.29Å; Y194-L216 HydrophobicContact CD2-CB 4.16Å; Y194-L216 HydrophobicContact CD2-CD1 4.29Å; Y194-L216 HydrophobicContact CD2-CG 3.98Å; Y194-L216 HydrophobicContact CE1-CB 4.41Å; Y194-L216 HydrophobicContact CE2-CB 4.29Å; Y194-L216 HydrophobicContact CG-CB 4.17Å; Y194-L216 HydrophobicContact CG-CD1 3.6Å; Y194-L216 HydrophobicContact CG-CG 3.81Å; F213-L216 HydrophobicContact CB-CB 4.3Å; F213-L216 HydrophobicContact CB-CD1 4.34Å; F213-L216 WeakPolarHBondContact O-CB 3.28Å; F213-L216 PolarHBondContact O-N 3.26Å; F213-L216 VanDerWaalsContact O-N 3.14Å; L216-L218 HydrophobicContact CD2-CD2 3.65Å; L216-L218 HydrophobicContact CD2-CG 4.5Å; L216-I229 HydrophobicContact CD1-CD1 4.07Å; L216-I229 HydrophobicContact CD2-CD1 4.16Å; L216-I229 HydrophobicContact CG-CD1 4.35Å
217K98.2Very high96.3Very high68 Ų6864.2 Ų64.230%0.29632%0.322SS..EExtended strand (participates in β ladder)trans-125.7145.3178.3-76.8169.9159.7-163.50112.2A135 G136 R137 R138 H228 I229A135-K217 PolarHBondContact O-NZ 3.45Å; G136-K217 WeakPolarHBondContact O-CD 3.35Å; G136-K217 WeakPolarHBondContact O-CE 3.42Å; R137-K217 CarbonylContact O-C 3.6Å; R137-K217 VanDerWaalsContact O-CA 3.31Å; R137-K217 WeakPolarHBondContact O-CA 3.38Å; R138-K217 HydrophobicContact CG-CG 4.21Å; K217-H228 HydrophobicContact CB-CB 4.39Å; K217-H228 WeakPolarHBondContact CD-CD2 3.39Å; K217-H228 WeakPolarHBondContact CD-NE2 3.3Å; K217-H228 PolarHBondContact NZ-NE2 3.4Å; K217-H228 VanDerWaalsContact NZ-NE2 3.11Å; K217-I229 PolarHBondContact O-N 3.39Å; K217-I229 VanDerWaalsContact O-N 3.11Å
218L98.5Very high96.3Very high1 Ų162.9 Ų62.91%0.00532%0.315CS..EExtended strand (participates in β ladder)trans-106.8132.5174-49.4-177.2000110.3M130 I132 G136 R137 M139 I162 L216 I229 L231 F274M130-L218 HydrophobicContact CB-CD1 4.01Å; M130-L218 HydrophobicContact CG-CD1 4.49Å; I132-L218 HydrophobicContact CG2-CB 3.74Å; I132-L218 HydrophobicContact CG2-CD1 4.38Å; G136-L218 CarbonylContact C-O 3.41Å; G136-L218 WeakPolarHBondContact CA-O 3.34Å; R137-L218 PolarHBondContact N-O 3.16Å; R137-L218 PolarHBondContact O-N 3.18Å; M139-L218 HydrophobicContact CG-CD1 3.87Å; M139-L218 HydrophobicContact CG-CD2 4.33Å; M139-L218 HydrophobicContact CG-CG 3.99Å; M139-L218 HydrophobicContact SD-CD1 4.37Å; M139-L218 HydrophobicContact SD-CD2 4.38Å; I162-L218 HydrophobicContact CD1-CD2 3.44Å; I162-L218 VanDerWaalsContact CD1-CD2 3.44Å; L216-L218 HydrophobicContact CD2-CD2 3.65Å; L216-L218 HydrophobicContact CD2-CG 4.5Å; L218-I229 CarbonylContact C-O 3.54Å; L218-I229 WeakPolarHBondContact CA-O 3.42Å; L218-I229 HydrophobicContact CD2-CB 4.26Å; L218-L231 HydrophobicContact CB-CD1 4.37Å; L218-L231 HydrophobicContact CD1-CD1 4.01Å; L218-L231 HydrophobicContact CD2-CD1 3.94Å; L218-L231 HydrophobicContact CG-CD1 4.33Å; L218-F274 HydrophobicContact CD1-CE2 4.08Å; L218-F274 HydrophobicContact CD1-CZ 3.77Å
219T98.3Very high96.2Very high0 Ų055.9 Ų55.90%029%0.289CS..EExtended strand (participates in β ladder)trans-126.6155.4-179.5-170.10000111.9T133 K134 N221 D224 H228 I229 I230 L231T133-T219 WeakPolarHBondContact O-CA 3.32Å; T133-T219 PolarHBondContact O-OG1 3.1Å; T133-T219 VanDerWaalsContact O-OG1 3.07Å; K134-T219 PolarHBondContact O-OG1 2.71Å; T219-N221 WeakPolarHBondContact OG1-CB 3.42Å; T219-N221 PolarHBondContact OG1-N 3.46Å; T219-D224 HydrophobicContact CG2-CB 3.86Å; T219-H228 HydrophobicContact CG2-CB 3.79Å; T219-I229 PolarHBondContact N-O 3.04Å; T219-I230 HydrophobicContact CG2-CB 4.27Å; T219-I230 HydrophobicContact CG2-CG1 3.76Å; T219-I230 WeakPolarHBondContact O-CA 3.49Å; T219-L231 PolarHBondContact O-N 2.75Å
220N97.1Very high96.3Very high75 Ų7549.9 Ų49.940%0.40126%0.261SS..  trans-105.512.1169.578-73.3000112.4I132 T133 K134I132-N220 HydrophobicContact CB-CB 4.47Å; I132-N220 HydrophobicContact CD1-CB 3.63Å; I132-N220 HydrophobicContact CG1-CB 3.94Å; T133-N220 WeakPolarHBondContact CA-OD1 3.42Å; K134-N220 PolarHBondContact N-OD1 3.2Å
221N96.4Very high96.2Very high39 Ų3948.1 Ų48.121%0.20925%0.251CS..  trans-92.5107.8177.3-177.331.6000109.7K134 T219 L223 D224 I230K134-N221 HydrophobicContact CG-CB 4.18Å; T219-N221 WeakPolarHBondContact OG1-CB 3.42Å; T219-N221 PolarHBondContact OG1-N 3.46Å; N221-L223 VanDerWaalsContact ND2-C 3.27Å; N221-L223 PolarHBondContact ND2-O 2.82Å; N221-L223 PolarHBondContact O-N 3.44Å; N221-L223 PolarHBondContact OD1-N 2.84Å; N221-D224 HydrophobicContact CB-CB 4.26Å; N221-D224 WeakPolarHBondContact ND2-CA 3.38Å; N221-D224 PolarHBondContact ND2-N 2.79Å; N221-D224 WeakPolarHBondContact O-CB 3.45Å; N221-D224 PolarHBondContact O-N 3.34Å; N221-I230 WeakPolarHBondContact O-CG1 3.49Å
222E94.3Very high96.2Very high121 Ų12148.9 Ų48.957%0.56525%0.254SS*.THydrogen-bonded Turntrans-61.3-26.4175.8-65.3177.2177.700112.6I230 H232E222-I230 WeakPolarHBondContact O-CD1 3.43Å; E222-H232 IonicContact OE1-CE1 3.51Å; E222-H232 PolarHBondContact OE1-CE1 3.45Å
223L92.9Very high96.2Very high152 Ų15249 Ų4980%0.79625%0.254SS*.THydrogen-bonded Turntrans-101.542.5179.7-53.1179.6000111.4N221N221-L223 VanDerWaalsContact ND2-C 3.27Å; N221-L223 PolarHBondContact ND2-O 2.82Å; N221-L223 PolarHBondContact O-N 3.44Å; N221-L223 PolarHBondContact OD1-N 2.84Å
224D94.1Very high96.2Very high5 Ų550.5 Ų50.53%0.02726%0.261CS..  trans-81114.8178.9-177.796.7000111.5R192 T219 N221 Q226 G227 H228 I230R192-D224 VanDerWaalsContact CZ-O 3.23Å; R192-D224 PolarHBondContact NH1-O 2.86Å; R192-D224 IonicContact NH1-OD2 3.39Å; R192-D224 PolarHBondContact NH1-OD2 3.02Å; R192-D224 VanDerWaalsContact NH1-OD2 3.09Å; R192-D224 PolarHBondContact NH2-O 2.86Å; T219-D224 HydrophobicContact CG2-CB 3.86Å; N221-D224 HydrophobicContact CB-CB 4.26Å; N221-D224 WeakPolarHBondContact ND2-CA 3.38Å; N221-D224 PolarHBondContact ND2-N 2.79Å; N221-D224 WeakPolarHBondContact O-CB 3.45Å; N221-D224 PolarHBondContact O-N 3.34Å; D224-Q226 PolarHBondContact OD2-N 3.21Å; D224-G227 PolarHBondContact OD2-N 3.29Å; D224-H228 IonicContact OD1-CE1 3.91Å; D224-H228 IonicContact OD1-CG 3.05Å; D224-H228 IonicContact OD1-ND1 3.84Å; D224-H228 PolarHBondContact OD1-ND1 3.01Å; D224-H228 WeakPolarHBondContact OD2-CB 3.14Å; D224-H228 IonicContact OD2-CG 3.8Å; D224-H228 PolarHBondContact OD2-N 2.73Å; D224-H228 IonicContact OD2-ND1 3.65Å; D224-I230 HydrophobicContact CB-CD1 4.4Å; D224-I230 HydrophobicContact CB-CG1 4.24Å
225D92.9Very high96.3Very high134 Ų13448.1 Ų48.172%0.71725%0.248SC*.SBendtrans-86.2-14.9178.664-22.7000113.5G227D225-G227 VanDerWaalsContact C-N 3.26Å; D225-G227 PolarHBondContact O-N 3.1Å
226Q92.3Very high96.4Very high129 Ų12945.3 Ų45.360%0.60324%0.236SC*.SBendtrans-79.90.7-174.4-55.5-58.1-68.100114.4D224 H228D224-Q226 PolarHBondContact OD2-N 3.21Å; Q226-H228 VanDerWaalsContact C-N 3.29Å; Q226-H228 WeakPolarHBondContact CB-CE1 3.24Å; Q226-H228 PolarHBondContact O-N 3.13Å
227G91.2Very high96.4Very high39 Ų3945.9 Ų45.940%0.40224%0.239SC..  trans70.220-176.800000114.3D224 D225D224-G227 PolarHBondContact OD2-N 3.29Å; D225-G227 VanDerWaalsContact C-N 3.26Å; D225-G227 PolarHBondContact O-N 3.1Å
228H96.4Very high96.4Very high24 Ų2443.9 Ų43.911%0.11123%0.23CC..PPolyproline II helixtrans-68.4153171.5-53.7135000110.3A135 R192 K217 T219 D224 Q226 I230A135-H228 PolarHBondContact O-CE1 2.92Å; R192-H228 WeakPolarHBondContact CD-O 3.05Å; R192-H228 PolarHBondContact NH1-O 3.32Å; K217-H228 HydrophobicContact CB-CB 4.39Å; K217-H228 WeakPolarHBondContact CD-CD2 3.39Å; K217-H228 WeakPolarHBondContact CD-NE2 3.3Å; K217-H228 PolarHBondContact NZ-NE2 3.4Å; K217-H228 VanDerWaalsContact NZ-NE2 3.11Å; T219-H228 HydrophobicContact CG2-CB 3.79Å; D224-H228 IonicContact OD1-CE1 3.91Å; D224-H228 IonicContact OD1-CG 3.05Å; D224-H228 IonicContact OD1-ND1 3.84Å; D224-H228 PolarHBondContact OD1-ND1 3.01Å; D224-H228 WeakPolarHBondContact OD2-CB 3.14Å; D224-H228 IonicContact OD2-CG 3.8Å; D224-H228 PolarHBondContact OD2-N 2.73Å; D224-H228 IonicContact OD2-ND1 3.65Å; Q226-H228 VanDerWaalsContact C-N 3.29Å; Q226-H228 WeakPolarHBondContact CB-CE1 3.24Å; Q226-H228 PolarHBondContact O-N 3.13Å; H228-I230 PolarHBondContact O-N 2.91Å
229I97.1Very high96.4Very high6 Ų643.8 Ų43.83%0.03123%0.23CC..EExtended strand (participates in β ladder)trans-74118.5173.9-57.6-172.9000108.5I162 L216 K217 L218 T219 L231I162-I229 HydrophobicContact CB-CG2 4.31Å; I162-I229 HydrophobicContact CD1-CD1 3.9Å; I162-I229 HydrophobicContact CD1-CG2 4.21Å; I162-I229 HydrophobicContact CG1-CD1 3.97Å; I162-I229 HydrophobicContact CG1-CG2 4.47Å; L216-I229 HydrophobicContact CD1-CD1 4.07Å; L216-I229 HydrophobicContact CD2-CD1 4.16Å; L216-I229 HydrophobicContact CG-CD1 4.35Å; K217-I229 PolarHBondContact O-N 3.39Å; K217-I229 VanDerWaalsContact O-N 3.11Å; L218-I229 CarbonylContact C-O 3.54Å; L218-I229 WeakPolarHBondContact CA-O 3.42Å; L218-I229 HydrophobicContact CD2-CB 4.26Å; T219-I229 PolarHBondContact N-O 3.04Å; I229-L231 HydrophobicContact CG2-CD2 4.03Å; I229-L231 HydrophobicContact CG2-CG 4.22Å
230I97.5Very high96.4Very high6 Ų646.4 Ų46.43%0.03124%0.24CC..EExtended strand (participates in β ladder)trans-81131.8177.3-55.7167.2000108.1V189 R192 T219 N221 E222 D224 H228V189-I230 HydrophobicContact CB-CG2 4.24Å; V189-I230 HydrophobicContact CG1-CG2 3.96Å; V189-I230 HydrophobicContact CG2-CB 4.5Å; V189-I230 HydrophobicContact CG2-CG2 4.45Å; R192-I230 VanDerWaalsContact CZ-CD1 3.43Å; T219-I230 HydrophobicContact CG2-CB 4.27Å; T219-I230 HydrophobicContact CG2-CG1 3.76Å; T219-I230 WeakPolarHBondContact O-CA 3.49Å; N221-I230 WeakPolarHBondContact O-CG1 3.49Å; E222-I230 WeakPolarHBondContact O-CD1 3.43Å; D224-I230 HydrophobicContact CB-CD1 4.4Å; D224-I230 HydrophobicContact CB-CG1 4.24Å; H228-I230 PolarHBondContact O-N 2.91Å
231L97.8Very high96.4Very high4 Ų442.9 Ų42.92%0.02122%0.221CC..  trans-139.5148.4173.5-56.9173.6000110I132 I162 L218 T219 I229 Y237 F274 T276I132-L231 WeakPolarHBondContact CD1-O 3.45Å; I162-L231 HydrophobicContact CB-CD2 4.24Å; I162-L231 HydrophobicContact CD1-CD1 4.41Å; I162-L231 HydrophobicContact CG2-CD1 4.2Å; I162-L231 HydrophobicContact CG2-CD2 3.77Å; L218-L231 HydrophobicContact CB-CD1 4.37Å; L218-L231 HydrophobicContact CD1-CD1 4.01Å; L218-L231 HydrophobicContact CD2-CD1 3.94Å; L218-L231 HydrophobicContact CG-CD1 4.33Å; T219-L231 PolarHBondContact O-N 2.75Å; I229-L231 HydrophobicContact CG2-CD2 4.03Å; I229-L231 HydrophobicContact CG2-CG 4.22Å; L231-Y237 HydrophobicContact CB-CE2 3.93Å; L231-Y237 HydrophobicContact CD1-CD2 4.33Å; L231-Y237 HydrophobicContact CD1-CE2 4.47Å; L231-Y237 HydrophobicContact CD2-CD1 3.72Å; L231-Y237 HydrophobicContact CD2-CD2 4.31Å; L231-Y237 HydrophobicContact CD2-CE1 3.57Å; L231-Y237 HydrophobicContact CD2-CE2 4.13Å; L231-Y237 HydrophobicContact CD2-CG 4.1Å; L231-Y237 HydrophobicContact CG-CE2 4.41Å; L231-F274 HydrophobicContact CD1-CE2 4.08Å; L231-F274 HydrophobicContact CD1-CZ 4.13Å; L231-T276 HydrophobicContact CB-CG2 3.86Å; L231-T276 HydrophobicContact CD1-CG2 3.68Å; L231-T276 HydrophobicContact CG-CG2 4.43Å
232H97.9Very high96.4Very high24 Ų2441 Ų4111%0.11121%0.211CC..  trans-75.8150.2170.2-72.5-40.4000110.7S187 E222 H235 Y237 T276S187-H232 PolarHBondContact O-CD2 3.3Å; S187-H232 PolarHBondContact O-NE2 3.24Å; E222-H232 IonicContact OE1-CE1 3.51Å; E222-H232 PolarHBondContact OE1-CE1 3.45Å; H232-H235 WeakPolarHBondContact CB-ND1 3.39Å; H232-Y237 PolarHBondContact N-OH 3.42Å; H232-T276 VanDerWaalsContact O-CB 3.23Å; H232-T276 WeakPolarHBondContact O-CB 3.45Å; H232-T276 PolarHBondContact O-OG1 3.31Å
233S98.1Very high96.5Very high29 Ų2935.4 Ų35.420%0.20319%0.185CC..THydrogen-bonded Turntrans-76.5151.4173.5-166.30000110.9H235 T278S233-H235 VanDerWaalsContact C-N 3.33Å; S233-H235 PolarHBondContact O-N 3.5Å; S233-H235 PolarHBondContact O-ND1 2.93Å; S233-T278 PolarHBondContact OG-N 2.91Å
234M98.1Very high96.6Very high32 Ų3228.2 Ų28.216%0.15815%0.147CC..THydrogen-bonded Turntrans63.830.8177.6-43.4-61.7-79.400114.8Y170 W179 T276 V277 Q281Y170-M234 WeakPolarHBondContact CB-O 3.26Å; Y170-M234 PolarHBondContact N-O 3.45Å; Y170-M234 WeakPolarHBondContact O-CB 3.48Å; W179-M234 HydrophobicContact CH2-CE 3.92Å; W179-M234 HydrophobicContact CH2-SD 4.34Å; W179-M234 HydrophobicContact CZ3-CE 3.65Å; W179-M234 HydrophobicContact CZ3-SD 4.44Å; M234-T276 VanDerWaalsContact CA-O 3.31Å; M234-T276 WeakPolarHBondContact CA-O 3.41Å; M234-T276 PolarHBondContact N-O 3.49Å; M234-T276 PolarHBondContact N-OG1 2.9Å; M234-V277 HydrophobicContact SD-CG1 4.09Å; M234-Q281 HydrophobicContact CE-CG 4.37Å
235H98.4Very high96.5Very high7 Ų729.8 Ų29.83%0.03215%0.154CC..  trans-123.4155.2177.7-70.481.3000110.8K168 A185 D186 H232 S233 Y237 T275 T276K168-H235 PolarHBondContact O-CD2 2.84Å; A185-H235 VanDerWaalsContact CA-NE2 3.26Å; A185-H235 WeakPolarHBondContact CA-NE2 3.43Å; A185-H235 WeakPolarHBondContact CB-NE2 3.48Å; D186-H235 PolarHBondContact N-NE2 2.86Å; D186-H235 VanDerWaalsContact N-NE2 3.11Å; D186-H235 IonicContact OD2-CE1 2.74Å; D186-H235 PolarHBondContact OD2-CE1 2.98Å; D186-H235 VanDerWaalsContact OD2-CE1 3.3Å; H232-H235 WeakPolarHBondContact CB-ND1 3.39Å; S233-H235 VanDerWaalsContact C-N 3.33Å; S233-H235 PolarHBondContact O-N 3.5Å; S233-H235 PolarHBondContact O-ND1 2.93Å; H235-Y237 HydrophobicContact CB-CD2 4.35Å; H235-Y237 HydrophobicContact CB-CE2 3.56Å; H235-T275 WeakPolarHBondContact O-CA 3.44Å; H235-T276 PolarHBondContact N-OG1 3.18Å; H235-T276 VanDerWaalsContact N-OG1 3.17Å; H235-T276 PolarHBondContact O-N 2.97Å; H235-T276 PolarHBondContact O-OG1 3.32Å; H235-T276 VanDerWaalsContact O-OG1 3.07Å
236K98.2Very high96.2Very high56 Ų5628.3 Ų28.324%0.24314%0.142CC..EExtended strand (participates in β ladder)trans-97.1136.5179.6-73-179.6-177.6169.50111.6P164 V165 Y170 F274P164-K236 WeakPolarHBondContact CA-O 3.45Å; V165-K236 HydrophobicContact CB-CB 3.95Å; V165-K236 HydrophobicContact CG2-CB 4.27Å; V165-K236 PolarHBondContact N-O 3.11Å; Y170-K236 HydrophobicContact CD2-CD 4.45Å; Y170-K236 HydrophobicContact CD2-CG 4.18Å; Y170-K236 HydrophobicContact CE1-CD 4.39Å; Y170-K236 HydrophobicContact CE2-CB 4.45Å; Y170-K236 HydrophobicContact CE2-CD 3.7Å; Y170-K236 HydrophobicContact CE2-CG 3.81Å; Y170-K236 VanDerWaalsContact CZ-NZ 3.29Å; Y170-K236 WeakPolarHBondContact OH-CE 3.43Å; Y170-K236 PolarHBondContact OH-NZ 3.05Å; K236-F274 WeakPolarHBondContact CA-O 3.32Å
237Y98.5Very high95.7Very high13 Ų1328.3 Ų28.35%0.05114%0.142CC..EExtended strand (participates in β ladder)trans-136.3147.7-176.3-66.7-83.1000112.9I162 I163 P164 L231 H232 H235 V273 F274 T276I162-Y237 HydrophobicContact CG2-CD1 3.93Å; I162-Y237 HydrophobicContact CG2-CG 3.95Å; I163-Y237 CarbonylContact O-C 3.55Å; I163-Y237 VanDerWaalsContact O-CA 3.28Å; I163-Y237 WeakPolarHBondContact O-CA 3.35Å; P164-Y237 HydrophobicContact CB-CD1 4.3Å; P164-Y237 HydrophobicContact CB-CE1 4.13Å; L231-Y237 HydrophobicContact CB-CE2 3.93Å; L231-Y237 HydrophobicContact CD1-CD2 4.33Å; L231-Y237 HydrophobicContact CD1-CE2 4.47Å; L231-Y237 HydrophobicContact CD2-CD1 3.72Å; L231-Y237 HydrophobicContact CD2-CD2 4.31Å; L231-Y237 HydrophobicContact CD2-CE1 3.57Å; L231-Y237 HydrophobicContact CD2-CE2 4.13Å; L231-Y237 HydrophobicContact CD2-CG 4.1Å; L231-Y237 HydrophobicContact CG-CE2 4.41Å; H232-Y237 PolarHBondContact N-OH 3.42Å; H235-Y237 HydrophobicContact CB-CD2 4.35Å; H235-Y237 HydrophobicContact CB-CE2 3.56Å; Y237-V273 WeakPolarHBondContact O-CA 3.38Å; Y237-F274 HydrophobicContact CD2-CE2 4.49Å; Y237-F274 PolarHBondContact N-O 2.92Å; Y237-F274 PolarHBondContact O-N 2.9Å; Y237-T276 HydrophobicContact CD2-CG2 3.66Å; Y237-T276 HydrophobicContact CE2-CG2 3.68Å
238Q98.3Very high94.9Very high25 Ų2530.4 Ų30.412%0.11714%0.14CC..EExtended strand (participates in β ladder)trans-114.5114.5174.8171.667.677.100108.8I163 V165 R240 F269 T272 V273I163-Q238 HydrophobicContact CG1-CB 4.18Å; I163-Q238 PolarHBondContact N-O 2.93Å; I163-Q238 VanDerWaalsContact N-O 3.07Å; I163-Q238 PolarHBondContact O-N 3.22Å; V165-Q238 HydrophobicContact CG2-CB 3.9Å; Q238-R240 HydrophobicContact CG-CG 4.48Å; Q238-F269 PolarHBondContact NE2-O 2.81Å; Q238-T272 PolarHBondContact NE2-OG1 3.07Å; Q238-V273 HydrophobicContact CB-CG2 4.3Å
239P98.3Very high93.4Very high0 Ų029.5 Ų29.50%014%0.137CC..EExtended strand (participates in β ladder)trans-61.9141.9165.5-24.636.6000111.6M143 M160 D161 T272 F274M143-P239 HydrophobicContact CE-CB 4.15Å; M143-P239 HydrophobicContact SD-CB 4.49Å; M160-P239 HydrophobicContact CE-CB 4.09Å; M160-P239 HydrophobicContact SD-CB 4.42Å; D161-P239 WeakPolarHBondContact O-CA 3.44Å; P239-T272 WeakPolarHBondContact CD-O 3.26Å; P239-F274 HydrophobicContact CG-CD1 4.17Å; P239-F274 HydrophobicContact CG-CE1 3.75Å
240R97.9Very high92Very high55 Ų5538.4 Ų38.421%0.20818%0.178CC..EExtended strand (participates in β ladder)trans-129.9138.3170.4-51.6-170.4-64.2176.62.8109.7M160 D161 I163 Q238 T266 F267M160-R240 VanDerWaalsContact CA-O 3.24Å; M160-R240 WeakPolarHBondContact CA-O 3.33Å; M160-R240 WeakPolarHBondContact CG-O 3.31Å; D161-R240 PolarHBondContact N-O 2.74Å; D161-R240 PolarHBondContact O-N 3.39Å; D161-R240 WeakPolarHBondContact OD1-CB 3.39Å; D161-R240 IonicContact OD1-CZ 2.64Å; D161-R240 IonicContact OD1-NE 3.94Å; D161-R240 PolarHBondContact OD1-NE 3.41Å; D161-R240 IonicContact OD1-NH2 3.39Å; D161-R240 PolarHBondContact OD1-NH2 2.93Å; D161-R240 IonicContact OD2-CZ 3.33Å; D161-R240 IonicContact OD2-NE 3.71Å; D161-R240 IonicContact OD2-NH2 3.59Å; D161-R240 PolarHBondContact OD2-NH2 3.21Å; I163-R240 HydrophobicContact CD1-CG 4.44Å; I163-R240 HydrophobicContact CG1-CG 4.27Å; Q238-R240 HydrophobicContact CG-CG 4.48Å; R240-T266 HydrophobicContact CB-CG2 4.1Å; R240-F267 CarbonylContact C-O 3.5Å; R240-F267 WeakPolarHBondContact CA-O 3.37Å
241V98Very high90.5Very high0 Ų043.5 Ų43.50%020%0.202CC..EExtended strand (participates in β ladder)trans-104.3134.8174.21780000108.3M143 V145 I158 M160 F213 F267M143-V241 HydrophobicContact CE-CG2 4.24Å; V145-V241 HydrophobicContact CG1-CG2 4.24Å; V145-V241 HydrophobicContact CG2-CG1 4.38Å; I158-V241 HydrophobicContact CG2-CG1 4.48Å; M160-V241 HydrophobicContact CG-CG2 4.21Å; F213-V241 HydrophobicContact CE2-CG1 4.26Å; F213-V241 HydrophobicContact CE2-CG2 3.95Å; F213-V241 HydrophobicContact CZ-CG1 4.19Å; F213-V241 HydrophobicContact CZ-CG2 4.42Å; V241-F267 PolarHBondContact N-O 2.68Å; V241-F267 PolarHBondContact O-N 3.46Å
242H96.6Very high89.5Confident1 Ų144.5 Ų44.51%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-120.6132.5-176.3-51.1-89.6000110I158 A159 D161 I244 I258 R265 T266I158-H242 WeakPolarHBondContact CA-O 3.1Å; A159-H242 HydrophobicContact CB-CB 4.48Å; A159-H242 PolarHBondContact N-O 3.09Å; A159-H242 PolarHBondContact O-N 3.3Å; D161-H242 VanDerWaalsContact CG-NE2 3.27Å; D161-H242 IonicContact OD1-NE2 3.19Å; D161-H242 PolarHBondContact OD1-NE2 3.2Å; D161-H242 IonicContact OD2-CE1 2.81Å; D161-H242 IonicContact OD2-NE2 3.41Å; H242-I244 HydrophobicContact CB-CD1 3.66Å; H242-I244 HydrophobicContact CB-CG1 4.36Å; H242-I258 HydrophobicContact CB-CD1 4.34Å; H242-I258 HydrophobicContact CB-CG2 4.35Å; H242-R265 WeakPolarHBondContact CA-O 3.46Å; H242-T266 VanDerWaalsContact CE1-CG2 3.43Å; H242-T266 WeakPolarHBondContact CE1-CG2 3.25Å; H242-T266 WeakPolarHBondContact ND1-CG2 3.39Å; H242-T266 PolarHBondContact ND1-OG1 3.26Å
243V95.9Very high88.7Confident3 Ų345 Ų452%0.01821%0.213CC..EExtended strand (participates in β ladder)trans-107.8109.9170-178.90000106.3V112 I147 L150 Y156 I158 R265 F267V112-V243 HydrophobicContact CG2-CG2 4.22Å; I147-V243 HydrophobicContact CD1-CG2 4.45Å; L150-V243 HydrophobicContact CD2-CG1 3.77Å; Y156-V243 HydrophobicContact CD1-CG1 3.88Å; Y156-V243 HydrophobicContact CE1-CG1 4.47Å; Y156-V243 HydrophobicContact CG-CG1 4.45Å; I158-V243 HydrophobicContact CD1-CB 4.16Å; I158-V243 HydrophobicContact CD1-CG1 4.04Å; I158-V243 HydrophobicContact CD1-CG2 3.81Å; V243-R265 HydrophobicContact CB-CB 4.46Å; V243-R265 PolarHBondContact N-O 3.25Å; V243-R265 PolarHBondContact O-N 2.9Å; V243-F267 HydrophobicContact CB-CE2 4.36Å; V243-F267 HydrophobicContact CG2-CD2 4.28Å; V243-F267 HydrophobicContact CG2-CE2 3.77Å
244I94.2Very high87.9Confident0 Ų046.7 Ų46.70%022%0.223CC..EExtended strand (participates in β ladder)trans-113.8125.9-178.9-50.698.1000109.4Y156 Y157 A159 H242 F248 L252 I258 T264Y156-I244 CarbonylContact C-O 3.56Å; Y156-I244 VanDerWaalsContact CA-O 3.3Å; Y156-I244 WeakPolarHBondContact CA-O 3.32Å; Y157-I244 PolarHBondContact N-O 3.47Å; Y157-I244 PolarHBondContact O-N 3.24Å; A159-I244 HydrophobicContact CB-CD1 4.06Å; H242-I244 HydrophobicContact CB-CD1 3.66Å; H242-I244 HydrophobicContact CB-CG1 4.36Å; I244-F248 HydrophobicContact CG2-CB 4.33Å; I244-L252 HydrophobicContact CB-CD1 4.05Å; I244-L252 HydrophobicContact CD1-CD1 4.19Å; I244-L252 HydrophobicContact CD1-CD2 3.92Å; I244-L252 HydrophobicContact CG1-CD1 4.34Å; I244-L252 HydrophobicContact CG1-CD2 4.09Å; I244-L252 HydrophobicContact CG2-CD1 4.03Å; I244-L252 HydrophobicContact CG2-CG 4.47Å; I244-I258 HydrophobicContact CD1-CD1 4.43Å; I244-T264 HydrophobicContact CG1-CG2 4.12Å
245H91.9Very high87Confident39 Ų3949.6 Ų49.618%0.18124%0.243CC..EExtended strand (participates in β ladder)trans-66.4135.9174.5-168.5-115.1000110.8Q154 Y156 E247 F248 G249 G263Q154-H245 WeakPolarHBondContact CG-NE2 3.33Å; Q154-H245 PolarHBondContact NE2-CE1 3.06Å; Q154-H245 PolarHBondContact NE2-NE2 3.49Å; Y156-H245 AromaticContact CE1-CD2 3.74Å; H245-E247 VanDerWaalsContact C-N 3.29Å; H245-E247 IonicContact CE1-OE1 3.3Å; H245-E247 IonicContact CE1-OE2 3.78Å; H245-E247 PolarHBondContact CE1-OE2 3.25Å; H245-E247 IonicContact ND1-OE2 3.67Å; H245-E247 PolarHBondContact ND1-OE2 2.82Å; H245-E247 PolarHBondContact O-N 2.94Å; H245-E247 VanDerWaalsContact O-N 3.14Å; H245-F248 HydrophobicContact CB-CD2 3.85Å; H245-F248 HydrophobicContact CB-CE2 4.46Å; H245-F248 AromaticContact ND1-CD2 3.6Å; H245-F248 AromaticContact ND1-CE2 3.58Å; H245-F248 CarbonylContact O-C 3.55Å; H245-F248 PolarHBondContact O-N 3.17Å; H245-G249 PolarHBondContact O-N 3.3Å; H245-G263 WeakPolarHBondContact CB-O 3.35Å; H245-G263 PolarHBondContact N-O 2.91Å
246K87.9Confident86.2Confident103 Ų10356.4 Ų56.445%0.44827%0.268SS..G310 helixtrans-55-38.8-168.6178.7-175.9171.9-169.80114.2Q155 Y157 F248 G249Q155-K246 HydrophobicContact CB-CB 3.59Å; Q155-K246 HydrophobicContact CB-CD 3.59Å; Q155-K246 HydrophobicContact CB-CG 4.16Å; Q155-K246 HydrophobicContact CG-CD 4.04Å; Q155-K246 VanDerWaalsContact O-CB 3.32Å; Q155-K246 WeakPolarHBondContact O-CB 3.3Å; Q155-K246 PolarHBondContact O-N 3.23Å; Y157-K246 HydrophobicContact CE2-CB 4.29Å; Y157-K246 HydrophobicContact CE2-CG 4Å; K246-F248 PolarHBondContact O-N 2.83Å; K246-G249 WeakPolarHBondContact O-CA 3.38Å; K246-G249 PolarHBondContact O-N 2.89Å
247E81.8Confident85.4Confident129 Ų12956.6 Ų56.660%0.60328%0.281SS*.G310 helixtrans-62.1-25.2178.6-71.4140.1-142.800113.5Q154 H245 G249Q154-E247 PolarHBondContact NE2-OE1 3.31Å; H245-E247 VanDerWaalsContact C-N 3.29Å; H245-E247 IonicContact CE1-OE1 3.3Å; H245-E247 IonicContact CE1-OE2 3.78Å; H245-E247 PolarHBondContact CE1-OE2 3.25Å; H245-E247 IonicContact ND1-OE2 3.67Å; H245-E247 PolarHBondContact ND1-OE2 2.82Å; H245-E247 PolarHBondContact O-N 2.94Å; H245-E247 VanDerWaalsContact O-N 3.14Å; E247-G249 VanDerWaalsContact C-N 3.35Å
248F74.4Confident84.6Confident83 Ų8356.5 Ų56.536%0.36428%0.281SS..G310 helixtrans-98.48.1175.5-55.6-99.1000111.1I244 H245 K246 E262I244-F248 HydrophobicContact CG2-CB 4.33Å; H245-F248 HydrophobicContact CB-CD2 3.85Å; H245-F248 HydrophobicContact CB-CE2 4.46Å; H245-F248 AromaticContact ND1-CD2 3.6Å; H245-F248 AromaticContact ND1-CE2 3.58Å; H245-F248 CarbonylContact O-C 3.55Å; H245-F248 PolarHBondContact O-N 3.17Å; K246-F248 PolarHBondContact O-N 2.83Å; F248-E262 WeakPolarHBondContact CD1-O 3.29Å; F248-E262 HydrophobicContact CE1-CB 4.21Å; F248-E262 WeakPolarHBondContact CE1-O 3.39Å; F248-E262 HydrophobicContact CZ-CG 4.45Å
249G65.3Low83.6Confident5 Ų556 Ų565%0.05228%0.28CS..  trans-86.8-10.9-176.500000115H245 K246 E247 E251 L252H245-G249 PolarHBondContact O-N 3.3Å; K246-G249 WeakPolarHBondContact O-CA 3.38Å; K246-G249 PolarHBondContact O-N 2.89Å; E247-G249 VanDerWaalsContact C-N 3.35Å; G249-E251 PolarHBondContact O-N 3.06Å; G249-L252 VanDerWaalsContact O-CB 3.26Å; G249-L252 WeakPolarHBondContact O-CB 3.4Å; G249-L252 PolarHBondContact O-N 3.04Å
250E66.4Low82.4Confident193 Ų19364.3 Ų64.390%0.90232%0.321SS*.THydrogen-bonded Turntrans-67.8-20.6-176.6-60.6-158.3148.100113.8
251E66.9Low81.1Confident113 Ų11364.1 Ų64.153%0.52834%0.336SS..THydrogen-bonded Turntrans-85.5-14.3172.9-171.9172.5-149.700113.1G249 S253 P259G249-E251 PolarHBondContact O-N 3.06Å; E251-S253 PolarHBondContact O-N 3.22Å; E251-P259 HydrophobicContact CB-CG 3.74Å; E251-P259 HydrophobicContact CG-CG 3.92Å
252L77.4Confident79.9Confident25 Ų2572.2 Ų72.213%0.13137%0.374CS..  trans-63.5120.3-179.3-68.4170.4000111.3Y157 I244 G249 I258 P259Y157-L252 HydrophobicContact CD1-CD1 4.09Å; Y157-L252 HydrophobicContact CD2-CD1 3.75Å; Y157-L252 HydrophobicContact CE2-CD1 4.43Å; Y157-L252 HydrophobicContact CG-CD1 3.57Å; I244-L252 HydrophobicContact CB-CD1 4.05Å; I244-L252 HydrophobicContact CD1-CD1 4.19Å; I244-L252 HydrophobicContact CD1-CD2 3.92Å; I244-L252 HydrophobicContact CG1-CD1 4.34Å; I244-L252 HydrophobicContact CG1-CD2 4.09Å; I244-L252 HydrophobicContact CG2-CD1 4.03Å; I244-L252 HydrophobicContact CG2-CG 4.47Å; G249-L252 VanDerWaalsContact O-CB 3.26Å; G249-L252 WeakPolarHBondContact O-CB 3.4Å; G249-L252 PolarHBondContact O-N 3.04Å; L252-I258 HydrophobicContact CD2-CD1 4.12Å; L252-P259 HydrophobicContact CD2-CG 4.24Å
253S79.7Confident79.1Confident34 Ų3473.5 Ų73.524%0.23839%0.387CS..  trans-144.8145.6170.151.90000110.8E251 V255 R256E251-S253 PolarHBondContact O-N 3.22Å; S253-V255 PolarHBondContact O-N 3.49Å; S253-R256 PolarHBondContact O-N 2.79Å; S253-R256 WeakPolarHBondContact OG-CB 3.33Å; S253-R256 WeakPolarHBondContact OG-CD 3.46Å; S253-R256 VanDerWaalsContact OG-CG 3.27Å; S253-R256 WeakPolarHBondContact OG-CG 3.35Å
254P80.8Confident78.9Confident64 Ų6474.4 Ų74.442%0.41639%0.393SS..THydrogen-bonded Turntrans-61.7-9.2-175.9-26.535.9000116.1R192 V193 I195R192-P254 WeakPolarHBondContact CA-O 3.47Å; V193-P254 PolarHBondContact N-O 2.97Å; I195-P254 HydrophobicContact CD1-CG 4.28Å
255V80.1Confident78.8Confident94 Ų9479.7 Ų79.757%0.5741%0.413SS*.THydrogen-bonded Turntrans-122.915.5-173-153.30000112P191 S253P191-V255 CarbonylContact O-C 3.59Å; S253-V255 PolarHBondContact O-N 3.49Å
256R81.1Confident79Confident149 Ų14981 Ų8156%0.56242%0.424SS*.SBendtrans-120.8169.5168-68.1-176.1-175.7171.51109.5V193 S253V193-R256 WeakPolarHBondContact CG2-O 3.4Å; S253-R256 PolarHBondContact O-N 2.79Å; S253-R256 WeakPolarHBondContact OG-CB 3.33Å; S253-R256 WeakPolarHBondContact OG-CD 3.46Å; S253-R256 VanDerWaalsContact OG-CG 3.27Å; S253-R256 WeakPolarHBondContact OG-CG 3.35Å
257A81.3Confident79.5Confident61 Ų6178.2 Ų78.250%0.50441%0.412SS..PPolyproline II helixtrans-67.3159.7166.500000110.7P191P191-A257 HydrophobicContact CB-CB 4.38Å
258I82.8Confident80.3Confident10 Ų1075.3 Ų75.35%0.05141%0.406CS..PPolyproline II helixtrans-64.2133.3169.9-64-71.4000109.5A159 D161 V193 H242 I244 L252 M260 T264A159-I258 HydrophobicContact CB-CD1 3.99Å; D161-I258 HydrophobicContact CB-CG1 4.49Å; V193-I258 HydrophobicContact CB-CD1 4.26Å; V193-I258 HydrophobicContact CG1-CD1 3.53Å; V193-I258 HydrophobicContact CG2-CD1 3.64Å; V193-I258 HydrophobicContact CG2-CG1 3.79Å; H242-I258 HydrophobicContact CB-CD1 4.34Å; H242-I258 HydrophobicContact CB-CG2 4.35Å; I244-I258 HydrophobicContact CD1-CD1 4.43Å; L252-I258 HydrophobicContact CD2-CD1 4.12Å; I258-M260 PolarHBondContact O-N 2.86Å; I258-T264 HydrophobicContact CG2-CG2 3.82Å
259P77.1Confident81.4Confident16 Ų1672.7 Ų72.710%0.10439%0.394CS..PPolyproline II helixtrans-56.2123.6172.8-26.836.1000111.9E251 L252 T264E251-P259 HydrophobicContact CB-CG 3.74Å; E251-P259 HydrophobicContact CG-CG 3.92Å; L252-P259 HydrophobicContact CD2-CG 4.24Å; P259-T264 WeakPolarHBondContact O-CB 3.31Å; P259-T264 WeakPolarHBondContact O-CG2 3.4Å; P259-T264 PolarHBondContact O-OG1 3.07Å
260M71.9Confident83Confident174 Ų17476.7 Ų76.786%0.85742%0.419SS*.  trans-101.7109.1179.6-67.6-172.763.600109.9I258I258-M260 PolarHBondContact O-N 2.86Å
261G71.4Confident84.5Confident51 Ų5169.1 Ų69.153%0.52638%0.384SS..SBendtrans171.6-164.3-17900000112.1T264G261-T264 PolarHBondContact O-N 2.94Å
262E72.6Confident86Confident170 Ų17063.8 Ų63.879%0.79436%0.359SS*.THydrogen-bonded Turntrans-56.7146.6171.2-163.6157.4-147.800110.6F248 T264F248-E262 WeakPolarHBondContact CD1-O 3.29Å; F248-E262 HydrophobicContact CE1-CB 4.21Å; F248-E262 WeakPolarHBondContact CE1-O 3.39Å; F248-E262 HydrophobicContact CZ-CG 4.45Å; E262-T264 VanDerWaalsContact C-N 3.31Å; E262-T264 PolarHBondContact O-N 2.86Å
263G81.3Confident87Confident28 Ų2864.1 Ų64.129%0.28936%0.362SS..THydrogen-bonded Turntrans81.7-16.9-175.900000116.9H245H245-G263 WeakPolarHBondContact CB-O 3.35Å; H245-G263 PolarHBondContact N-O 2.91Å
264T90.7Very high87.9Confident22 Ų2262.6 Ų62.614%0.13535%0.351CS..EExtended strand (participates in β ladder)trans-104.6119.9174.5-67.80000112I244 I258 P259 G261 E262I244-T264 HydrophobicContact CG1-CG2 4.12Å; I258-T264 HydrophobicContact CG2-CG2 3.82Å; P259-T264 WeakPolarHBondContact O-CB 3.31Å; P259-T264 WeakPolarHBondContact O-CG2 3.4Å; P259-T264 PolarHBondContact O-OG1 3.07Å; G261-T264 PolarHBondContact O-N 2.94Å; E262-T264 VanDerWaalsContact C-N 3.31Å; E262-T264 PolarHBondContact O-N 2.86Å
265R93.1Very high88.7Confident110 Ų11059.9 Ų59.942%0.41533%0.333SS..EExtended strand (participates in β ladder)trans-107.4131.7169.3-57.6-172.6-130.1-1525.7110.5T110 H242 V243 F267T110-R265 PolarHBondContact OG1-NE 3.31Å; T110-R265 PolarHBondContact OG1-NH1 3.14Å; T110-R265 PolarHBondContact OG1-NH2 2.87Å; T110-R265 VanDerWaalsContact OG1-NH2 3.1Å; H242-R265 WeakPolarHBondContact CA-O 3.46Å; V243-R265 HydrophobicContact CB-CB 4.46Å; V243-R265 PolarHBondContact N-O 3.25Å; V243-R265 PolarHBondContact O-N 2.9Å; R265-F267 HydrophobicContact CB-CE2 3.65Å; R265-F267 HydrophobicContact CB-CZ 3.93Å
266T96Very high89.6Confident67 Ų6755.4 Ų55.441%0.41131%0.306SS..EExtended strand (participates in β ladder)trans-119.9130.8-175.2-630000111R240 H242R240-T266 HydrophobicContact CB-CG2 4.1Å; H242-T266 VanDerWaalsContact CE1-CG2 3.43Å; H242-T266 WeakPolarHBondContact CE1-CG2 3.25Å; H242-T266 WeakPolarHBondContact ND1-CG2 3.39Å; H242-T266 PolarHBondContact ND1-OG1 3.26Å
267F97.4Very high90.5Very high44 Ų4448.3 Ų48.319%0.19328%0.28CS..EExtended strand (participates in β ladder)trans-125.4131.6-175.3-56.4-92.4000110.2T110 V112 R240 V241 V243 R265T110-F267 HydrophobicContact CG2-CZ 4.23Å; T110-F267 WeakPolarHBondContact O-CZ 3.46Å; V112-F267 HydrophobicContact CB-CB 4.26Å; V112-F267 HydrophobicContact CB-CD1 3.91Å; V112-F267 HydrophobicContact CB-CD2 4.13Å; V112-F267 HydrophobicContact CB-CE1 4.27Å; V112-F267 HydrophobicContact CB-CE2 4.48Å; V112-F267 HydrophobicContact CB-CG 3.83Å; V112-F267 HydrophobicContact CG2-CD1 3.91Å; V112-F267 HydrophobicContact CG2-CD2 3.5Å; V112-F267 HydrophobicContact CG2-CE1 3.9Å; V112-F267 HydrophobicContact CG2-CE2 3.5Å; V112-F267 VanDerWaalsContact CG2-CE2 3.5Å; V112-F267 HydrophobicContact CG2-CG 3.72Å; V112-F267 HydrophobicContact CG2-CZ 3.7Å; R240-F267 CarbonylContact C-O 3.5Å; R240-F267 WeakPolarHBondContact CA-O 3.37Å; V241-F267 PolarHBondContact N-O 2.68Å; V241-F267 PolarHBondContact O-N 3.46Å; V243-F267 HydrophobicContact CB-CE2 4.36Å; V243-F267 HydrophobicContact CG2-CD2 4.28Å; V243-F267 HydrophobicContact CG2-CE2 3.77Å; R265-F267 HydrophobicContact CB-CE2 3.65Å; R265-F267 HydrophobicContact CB-CZ 3.93Å
268S97.6Very high91.3Very high69 Ų6949.6 Ų49.648%0.48328%0.281SS..EExtended strand (participates in β ladder)trans-128.6150.117656.30000110.7
269F98.3Very high92Very high28 Ų2851.2 Ų51.212%0.12330%0.296CS..  trans-125.6112.1-177.2-59.3-77.1000109V112 L114 M143 V145 Q238 E271 T272V112-F269 HydrophobicContact CB-CZ 4.49Å; V112-F269 HydrophobicContact CG1-CE2 4.47Å; V112-F269 HydrophobicContact CG1-CZ 4.08Å; V112-F269 WeakPolarHBondContact O-CZ 3.37Å; L114-F269 HydrophobicContact CB-CD1 3.74Å; L114-F269 HydrophobicContact CB-CD2 4.23Å; L114-F269 HydrophobicContact CB-CE1 3.79Å; L114-F269 HydrophobicContact CB-CE2 4.27Å; L114-F269 HydrophobicContact CB-CG 3.96Å; L114-F269 HydrophobicContact CB-CZ 4.06Å; L114-F269 HydrophobicContact CD1-CD2 4.33Å; L114-F269 HydrophobicContact CD2-CB 4Å; L114-F269 HydrophobicContact CD2-CD1 4.44Å; L114-F269 HydrophobicContact CD2-CG 4.12Å; L114-F269 HydrophobicContact CG-CG 4.45Å; M143-F269 HydrophobicContact CE-CD2 4.11Å; V145-F269 HydrophobicContact CG1-CE2 4.08Å; V145-F269 HydrophobicContact CG1-CZ 4.47Å; Q238-F269 PolarHBondContact NE2-O 2.81Å; F269-E271 VanDerWaalsContact C-N 3.26Å; F269-E271 PolarHBondContact O-N 2.92Å; F269-T272 HydrophobicContact CB-CG2 3.7Å; F269-T272 WeakPolarHBondContact O-CB 3.21Å; F269-T272 PolarHBondContact O-N 3.37Å; F269-T272 PolarHBondContact O-OG1 2.91Å
270P98.2Very high93Very high88 Ų8853.3 Ų53.357%0.57130%0.303SS*.G310 helixtrans-58-33.7-174.6-27.635.8000114.2H124 T272 V273H124-P270 PolarHBondContact CE1-O 3.14Å; H124-P270 PolarHBondContact ND1-O 2.96Å; P270-T272 PolarHBondContact O-N 3.02Å; P270-T272 VanDerWaalsContact O-N 3.13Å; P270-V273 WeakPolarHBondContact O-CG2 3.42Å; P270-V273 PolarHBondContact O-N 3.25Å
271E98.2Very high94.3Very high35 Ų3546.5 Ų46.516%0.16427%0.269CS..G310 helixtrans-66.4-13.6176.665-94.8-110.300113.6L114 W120 K121 H124 F269L114-E271 HydrophobicContact CD2-CG 3.79Å; W120-E271 HydrophobicContact CB-CB 4.39Å; W120-E271 HydrophobicContact CB-CG 3.83Å; K121-E271 WeakPolarHBondContact CE-OE1 3.35Å; K121-E271 HydrophobicContact CG-CB 3.94Å; K121-E271 HydrophobicContact CG-CG 4.13Å; H124-E271 HydrophobicContact CB-CB 4.25Å; H124-E271 WeakPolarHBondContact ND1-CA 3.49Å; H124-E271 PolarHBondContact ND1-O 3.29Å; F269-E271 VanDerWaalsContact C-N 3.26Å; F269-E271 PolarHBondContact O-N 2.92Å
272T98.6Very high95.5Very high0 Ų044.6 Ų44.60%025%0.246CC..G310 helixtrans-90.1-3.1179.868.50000114L114 W120 M143 Q238 P239 F269 P270 F274L114-T272 HydrophobicContact CD1-CG2 4.09Å; L114-T272 HydrophobicContact CD2-CG2 3.56Å; W120-T272 HydrophobicContact CD2-CG2 3.86Å; W120-T272 HydrophobicContact CE3-CG2 3.98Å; W120-T272 HydrophobicContact CG-CG2 4.2Å; W120-T272 HydrophobicContact CZ3-CG2 4.35Å; M143-T272 HydrophobicContact CE-CG2 4.04Å; M143-T272 HydrophobicContact SD-CG2 3.6Å; M143-T272 VanDerWaalsContact SD-CG2 3.6Å; Q238-T272 PolarHBondContact NE2-OG1 3.07Å; P239-T272 WeakPolarHBondContact CD-O 3.26Å; F269-T272 HydrophobicContact CB-CG2 3.7Å; F269-T272 WeakPolarHBondContact O-CB 3.21Å; F269-T272 PolarHBondContact O-N 3.37Å; F269-T272 PolarHBondContact O-OG1 2.91Å; P270-T272 PolarHBondContact O-N 3.02Å; P270-T272 VanDerWaalsContact O-N 3.13Å; T272-F274 WeakPolarHBondContact O-CD1 3.42Å; T272-F274 PolarHBondContact O-N 3.08Å
273V98.7Very high96.7Very high32 Ų3241 Ų4119%0.19423%0.229CC..  trans-56.9134.4170.8172.50000110.3T128 V165 Y237 Q238 P270T128-V273 WeakPolarHBondContact CB-O 3.44Å; T128-V273 PolarHBondContact OG1-O 3.25Å; V165-V273 HydrophobicContact CG2-CG1 4.1Å; V165-V273 HydrophobicContact CG2-CG2 4.36Å; Y237-V273 WeakPolarHBondContact O-CA 3.38Å; Q238-V273 HydrophobicContact CB-CG2 4.3Å; P270-V273 WeakPolarHBondContact O-CG2 3.42Å; P270-V273 PolarHBondContact O-N 3.25Å
274F98.8Very high97.5Very high2 Ų244.9 Ų44.91%0.00924%0.24CC..EExtended strand (participates in β ladder)trans-139.9160.3176.864.3-106000113.4T128 M130 M139 I162 L218 L231 K236 Y237 P239 T272 T276T128-F274 HydrophobicContact CG2-CB 3.65Å; T128-F274 CarbonylContact O-C 3.52Å; T128-F274 VanDerWaalsContact O-CA 3.25Å; T128-F274 WeakPolarHBondContact O-CA 3.46Å; T128-F274 WeakPolarHBondContact O-CB 3.07Å; M130-F274 HydrophobicContact CB-CD2 3.66Å; M130-F274 HydrophobicContact CB-CE2 3.81Å; M130-F274 HydrophobicContact CB-CG 4.12Å; M130-F274 HydrophobicContact CB-CZ 4.38Å; M130-F274 HydrophobicContact CE-CD1 4.22Å; M130-F274 HydrophobicContact CG-CB 3.88Å; M130-F274 HydrophobicContact CG-CD1 3.69Å; M130-F274 HydrophobicContact CG-CD2 3.51Å; M130-F274 HydrophobicContact CG-CE1 4Å; M130-F274 HydrophobicContact CG-CE2 3.86Å; M130-F274 HydrophobicContact CG-CG 3.43Å; M130-F274 VanDerWaalsContact CG-CG 3.43Å; M130-F274 HydrophobicContact CG-CZ 4.09Å; M139-F274 HydrophobicContact SD-CE1 4.32Å; I162-F274 HydrophobicContact CD1-CZ 4.25Å; I162-F274 HydrophobicContact CG2-CZ 4.3Å; L218-F274 HydrophobicContact CD1-CE2 4.08Å; L218-F274 HydrophobicContact CD1-CZ 3.77Å; L231-F274 HydrophobicContact CD1-CE2 4.08Å; L231-F274 HydrophobicContact CD1-CZ 4.13Å; K236-F274 WeakPolarHBondContact CA-O 3.32Å; Y237-F274 HydrophobicContact CD2-CE2 4.49Å; Y237-F274 PolarHBondContact N-O 2.92Å; Y237-F274 PolarHBondContact O-N 2.9Å; P239-F274 HydrophobicContact CG-CD1 4.17Å; P239-F274 HydrophobicContact CG-CE1 3.75Å; T272-F274 WeakPolarHBondContact O-CD1 3.42Å; T272-F274 PolarHBondContact O-N 3.08Å; F274-T276 HydrophobicContact CD2-CG2 4.36Å; F274-T276 HydrophobicContact CE2-CG2 3.84Å
275T98.7Very high97.8Very high8 Ų843.8 Ų43.85%0.04923%0.234CC..EExtended strand (participates in β ladder)trans-98.6132.3166.6-48.90000109.5T128 E129 M130 W179 H235T128-T275 PolarHBondContact O-N 2.88Å; E129-T275 CarbonylContact C-O 3.59Å; E129-T275 VanDerWaalsContact CA-O 3.31Å; E129-T275 WeakPolarHBondContact CA-O 3.38Å; M130-T275 PolarHBondContact N-O 3.3Å; W179-T275 HydrophobicContact CE3-CG2 4.39Å; W179-T275 HydrophobicContact CH2-CG2 3.66Å; W179-T275 HydrophobicContact CZ2-CG2 3.99Å; W179-T275 HydrophobicContact CZ3-CG2 3.88Å; H235-T275 WeakPolarHBondContact O-CA 3.44Å
276T98.6Very high98Very high0 Ų039.8 Ų39.80%022%0.221CC..EExtended strand (participates in β ladder)trans-75.6142.7172.543.10000111.7I132 L231 H232 M234 H235 Y237 F274I132-T276 HydrophobicContact CD1-CG2 4.48Å; I132-T276 HydrophobicContact CG2-CG2 3.9Å; L231-T276 HydrophobicContact CB-CG2 3.86Å; L231-T276 HydrophobicContact CD1-CG2 3.68Å; L231-T276 HydrophobicContact CG-CG2 4.43Å; H232-T276 VanDerWaalsContact O-CB 3.23Å; H232-T276 WeakPolarHBondContact O-CB 3.45Å; H232-T276 PolarHBondContact O-OG1 3.31Å; M234-T276 VanDerWaalsContact CA-O 3.31Å; M234-T276 WeakPolarHBondContact CA-O 3.41Å; M234-T276 PolarHBondContact N-O 3.49Å; M234-T276 PolarHBondContact N-OG1 2.9Å; H235-T276 PolarHBondContact N-OG1 3.18Å; H235-T276 VanDerWaalsContact N-OG1 3.17Å; H235-T276 PolarHBondContact O-N 2.97Å; H235-T276 PolarHBondContact O-OG1 3.32Å; H235-T276 VanDerWaalsContact O-OG1 3.07Å; Y237-T276 HydrophobicContact CD2-CG2 3.66Å; Y237-T276 HydrophobicContact CE2-CG2 3.68Å; F274-T276 HydrophobicContact CD2-CG2 4.36Å; F274-T276 HydrophobicContact CE2-CG2 3.84Å
277V98.8Very high98Very high0 Ų044.5 Ų44.50%023%0.232CC..EExtended strand (participates in β ladder)trans-146.3153.5176.6-660000110.7E129 M130 I131 I132 W179 M234 A279 Y280 Q281E129-V277 HydrophobicContact CB-CG2 4.02Å; E129-V277 HydrophobicContact CG-CG1 4.45Å; M130-V277 PolarHBondContact O-N 3.35Å; I131-V277 CarbonylContact C-O 3.57Å; I131-V277 VanDerWaalsContact CA-O 3.26Å; I131-V277 WeakPolarHBondContact CA-O 3.33Å; I131-V277 HydrophobicContact CD1-CG2 4Å; I132-V277 PolarHBondContact N-O 2.69Å; W179-V277 HydrophobicContact CH2-CG1 3.86Å; W179-V277 HydrophobicContact CZ2-CG1 4.26Å; M234-V277 HydrophobicContact SD-CG1 4.09Å; V277-A279 WeakPolarHBondContact CB-O 3.41Å; V277-Y280 HydrophobicContact CG2-CD1 4.21Å; V277-Q281 HydrophobicContact CG1-CG 3.98Å
278T98.4Very high98.1Very high87 Ų8743.3 Ų43.353%0.53423%0.227SC..SBendtrans-85.9-26.8168.946.40000112.4I132 S233I132-T278 HydrophobicContact CG1-CG2 4.43Å; S233-T278 PolarHBondContact OG-N 2.91Å
279A98.2Very high98.1Very high45 Ų4540.4 Ų40.437%0.37221%0.206SC..SBendtrans-145145.4170.700000109.2V277 Q281V277-A279 WeakPolarHBondContact CB-O 3.41Å; A279-Q281 PolarHBondContact O-N 2.74Å; A279-Q281 PolarHBondContact O-NE2 3.05Å
280Y98.5Very high98Very high60 Ų6041 Ų4124%0.23521%0.21CC..  trans-60.3137.9-176.5-65.4-59.3000112.3E129 I131 V277 I285 T286 K289E129-Y280 HydrophobicContact CB-CD1 3.93Å; E129-Y280 HydrophobicContact CB-CE1 4.24Å; E129-Y280 WeakPolarHBondContact OE2-CA 3.34Å; I131-Y280 HydrophobicContact CD1-CD1 4.05Å; I131-Y280 HydrophobicContact CD1-CD2 4.15Å; I131-Y280 HydrophobicContact CD1-CE1 4.03Å; I131-Y280 HydrophobicContact CD1-CE2 4.13Å; I131-Y280 HydrophobicContact CD1-CG 4.1Å; I131-Y280 HydrophobicContact CG1-CD1 4.14Å; I131-Y280 HydrophobicContact CG1-CD2 4.36Å; I131-Y280 HydrophobicContact CG1-CE1 3.59Å; I131-Y280 HydrophobicContact CG1-CE2 3.85Å; I131-Y280 HydrophobicContact CG1-CG 4.49Å; I131-Y280 VanDerWaalsContact CG1-CZ 3.41Å; V277-Y280 HydrophobicContact CG2-CD1 4.21Å; Y280-I285 HydrophobicContact CD1-CG2 4.12Å; Y280-I285 HydrophobicContact CE1-CG2 4.22Å; Y280-T286 VanDerWaalsContact CB-OG1 3.28Å; Y280-T286 WeakPolarHBondContact CB-OG1 3.48Å; Y280-T286 HydrophobicContact CD2-CG2 4.42Å; Y280-K289 HydrophobicContact CE1-CD 4.32Å; Y280-K289 HydrophobicContact CE1-CG 4.11Å; Y280-K289 HydrophobicContact CE2-CG 4.15Å; Y280-K289 WeakPolarHBondContact OH-CD 3.27Å; Y280-K289 WeakPolarHBondContact OH-CE 3.47Å
281Q98.4Very high97.9Very high31 Ų3140.8 Ų40.815%0.14520%0.204CC..  trans-98.6-52.3-179.5-53.2-65.1-74.400110.8E129 Y172 Y174 W179 M234 V277 A279 Q283E129-Q281 PolarHBondContact OE2-N 3.37Å; Y172-Q281 HydrophobicContact CD1-CB 3.76Å; Y172-Q281 HydrophobicContact CD2-CB 4.24Å; Y172-Q281 HydrophobicContact CE1-CB 4.48Å; Y172-Q281 HydrophobicContact CG-CB 3.6Å; Y172-Q281 HydrophobicContact CG-CG 4.47Å; Y174-Q281 PolarHBondContact OH-OE1 3.32Å; W179-Q281 HydrophobicContact CH2-CB 4.37Å; W179-Q281 HydrophobicContact CH2-CG 3.83Å; W179-Q281 HydrophobicContact CZ2-CB 4.18Å; W179-Q281 HydrophobicContact CZ2-CG 4.11Å; M234-Q281 HydrophobicContact CE-CG 4.37Å; V277-Q281 HydrophobicContact CG1-CG 3.98Å; A279-Q281 PolarHBondContact O-N 2.74Å; A279-Q281 PolarHBondContact O-NE2 3.05Å; Q281-Q283 PolarHBondContact O-N 3.36Å
282N97.5Very high97.8Very high11 Ų1144.3 Ų44.36%0.05922%0.215CC..  trans-81.6117176-172.4-8.5000111.4I126 E129 Y172 Q284 I285 T286I126-N282 VanDerWaalsContact CG2-ND2 3.29Å; I126-N282 WeakPolarHBondContact CG2-ND2 3.49Å; E129-N282 WeakPolarHBondContact OE1-CB 3.31Å; E129-N282 PolarHBondContact OE1-N 2.81Å; Y172-N282 HydrophobicContact CE2-CB 4.07Å; N282-Q284 PolarHBondContact ND2-OE1 3.45Å; N282-Q284 PolarHBondContact O-N 3.17Å; N282-Q284 WeakPolarHBondContact OD1-CB 3.46Å; N282-Q284 PolarHBondContact OD1-N 2.54Å; N282-I285 HydrophobicContact CB-CB 4.49Å; N282-I285 HydrophobicContact CB-CG1 4.02Å; N282-I285 WeakPolarHBondContact O-CB 3.31Å; N282-I285 PolarHBondContact O-N 2.9Å; N282-T286 PolarHBondContact O-N 3.49Å; N282-T286 VanDerWaalsContact O-N 3.16Å; N282-T286 PolarHBondContact O-OG1 3.06Å
283Q96.4Very high97.7Very high94 Ų9445.6 Ų45.644%0.43922%0.222SC..Hα-helixtrans-64.4-22.9177.8-64.9-59.9-31.500113.9Q281 T286 R287Q281-Q283 PolarHBondContact O-N 3.36Å; Q283-T286 PolarHBondContact O-N 3.07Å; Q283-R287 VanDerWaalsContact O-CG 3.31Å; Q283-R287 WeakPolarHBondContact O-CG 3.23Å; Q283-R287 PolarHBondContact O-N 2.87Å
284Q97.6Very high97.5Very high109 Ų10948.4 Ų48.451%0.50924%0.241SC..Hα-helixtrans-66.2-39.8171.2-63.5173.5-47.700111.2I126 N282 L288I126-Q284 HydrophobicContact CD1-CB 4.45Å; I126-Q284 HydrophobicContact CG2-CB 3.63Å; N282-Q284 PolarHBondContact ND2-OE1 3.45Å; N282-Q284 PolarHBondContact O-N 3.17Å; N282-Q284 WeakPolarHBondContact OD1-CB 3.46Å; N282-Q284 PolarHBondContact OD1-N 2.54Å; Q284-L288 WeakPolarHBondContact O-CB 3.36Å; Q284-L288 PolarHBondContact O-N 2.95Å
285I98Very high97.3Very high0 Ų057.4 Ų57.40%028%0.281CS..Hα-helixtrans-62.9-49.6172-60.8-68.7000109.2F123 I126 G127 E129 Y280 N282 R287 L288 K289F123-I285 HydrophobicContact CD1-CD1 3.95Å; F123-I285 HydrophobicContact CD1-CG2 4.37Å; F123-I285 HydrophobicContact CE1-CG2 4.26Å; I126-I285 HydrophobicContact CB-CD1 3.68Å; I126-I285 HydrophobicContact CB-CG1 4.48Å; I126-I285 HydrophobicContact CG2-CD1 3.46Å; I126-I285 VanDerWaalsContact CG2-CD1 3.46Å; I126-I285 HydrophobicContact CG2-CG1 3.73Å; G127-I285 VanDerWaalsContact O-CD1 3.3Å; G127-I285 WeakPolarHBondContact O-CD1 3.33Å; E129-I285 HydrophobicContact CB-CG2 4.09Å; E129-I285 HydrophobicContact CG-CG1 4.29Å; E129-I285 HydrophobicContact CG-CG2 4.48Å; Y280-I285 HydrophobicContact CD1-CG2 4.12Å; Y280-I285 HydrophobicContact CE1-CG2 4.22Å; N282-I285 HydrophobicContact CB-CB 4.49Å; N282-I285 HydrophobicContact CB-CG1 4.02Å; N282-I285 WeakPolarHBondContact O-CB 3.31Å; N282-I285 PolarHBondContact O-N 2.9Å; I285-R287 VanDerWaalsContact C-N 3.3Å; I285-R287 PolarHBondContact O-N 3.11Å; I285-L288 PolarHBondContact O-N 3.05Å; I285-L288 VanDerWaalsContact O-N 3.11Å; I285-K289 HydrophobicContact CG2-CD 4.35Å; I285-K289 HydrophobicContact CG2-CG 3.9Å; I285-K289 VanDerWaalsContact O-CG 3.23Å; I285-K289 WeakPolarHBondContact O-CG 3.3Å; I285-K289 PolarHBondContact O-N 3.03Å
286T97.3Very high97Very high25 Ų2557.7 Ų57.715%0.15328%0.284CS..Hα-helixtrans-51.6-47.3178.6-53.30000112.3Y280 N282 Q283 K289 I290Y280-T286 VanDerWaalsContact CB-OG1 3.28Å; Y280-T286 WeakPolarHBondContact CB-OG1 3.48Å; Y280-T286 HydrophobicContact CD2-CG2 4.42Å; N282-T286 PolarHBondContact O-N 3.49Å; N282-T286 VanDerWaalsContact O-N 3.16Å; N282-T286 PolarHBondContact O-OG1 3.06Å; Q283-T286 PolarHBondContact O-N 3.07Å; T286-K289 PolarHBondContact O-N 3.4Å; T286-I290 HydrophobicContact CG2-CD1 4.1Å; T286-I290 WeakPolarHBondContact O-CG1 3.28Å; T286-I290 PolarHBondContact O-N 3.22Å
287R96.8Very high96.6Very high167 Ų16764.1 Ų64.163%0.6331%0.312SS*.Hα-helixtrans-61.1-52175.7-69168.1-172179.82111.7Q283 I285 K289 I290 D291Q283-R287 VanDerWaalsContact O-CG 3.31Å; Q283-R287 WeakPolarHBondContact O-CG 3.23Å; Q283-R287 PolarHBondContact O-N 2.87Å; I285-R287 VanDerWaalsContact C-N 3.3Å; I285-R287 PolarHBondContact O-N 3.11Å; R287-K289 VanDerWaalsContact C-N 3.28Å; R287-K289 PolarHBondContact O-N 3.24Å; R287-I290 WeakPolarHBondContact O-CA 3.34Å; R287-I290 WeakPolarHBondContact O-CB 3.41Å; R287-I290 PolarHBondContact O-N 2.91Å; R287-D291 VanDerWaalsContact O-CG 3.25Å; R287-D291 PolarHBondContact O-N 3.21Å
288L97.8Very high96.2Very high19 Ų1967.3 Ų67.310%0.09935%0.345CS..Hα-helixtrans-62.9-31.8179.8-171.364.4000112.8R122 F123 I126 Q284 I285 R292R122-L288 HydrophobicContact CB-CD2 4.17Å; F123-L288 HydrophobicContact CD1-CD2 3.67Å; F123-L288 HydrophobicContact CD1-CG 4.24Å; F123-L288 HydrophobicContact CD2-CD2 4.14Å; F123-L288 HydrophobicContact CE1-CB 3.84Å; F123-L288 HydrophobicContact CE1-CD2 3.64Å; F123-L288 HydrophobicContact CE1-CG 3.67Å; F123-L288 HydrophobicContact CE2-CD2 4.13Å; F123-L288 HydrophobicContact CE2-CG 4.13Å; F123-L288 HydrophobicContact CG-CD2 3.91Å; F123-L288 HydrophobicContact CZ-CB 4.11Å; F123-L288 HydrophobicContact CZ-CD2 3.88Å; F123-L288 HydrophobicContact CZ-CG 3.61Å; I126-L288 HydrophobicContact CD1-CD2 3.93Å; Q284-L288 WeakPolarHBondContact O-CB 3.36Å; Q284-L288 PolarHBondContact O-N 2.95Å; I285-L288 PolarHBondContact O-N 3.05Å; I285-L288 VanDerWaalsContact O-N 3.11Å; L288-R292 HydrophobicContact CD1-CG 3.69Å; L288-R292 HydrophobicContact CG-CG 4.3Å; L288-R292 VanDerWaalsContact O-CB 3.29Å; L288-R292 WeakPolarHBondContact O-CB 3.47Å; L288-R292 VanDerWaalsContact O-CG 3.29Å; L288-R292 WeakPolarHBondContact O-CG 3.43Å; L288-R292 PolarHBondContact O-N 3.13Å; L288-R292 VanDerWaalsContact O-N 3.16Å
289K97.9Very high95.8Very high7 Ų768.1 Ų68.13%0.0334%0.341CS..Hα-helixtrans-65.1-46.1170.4-61.7-73.7-168.7-155.10110.7F123 E129 F140 Y280 I285 T286 R287 N293F123-K289 HydrophobicContact CE1-CD 3.59Å; F123-K289 HydrophobicContact CE1-CG 3.92Å; F123-K289 HydrophobicContact CZ-CD 3.73Å; F123-K289 HydrophobicContact CZ-CG 4.24Å; E129-K289 WeakPolarHBondContact O-CE 3.39Å; E129-K289 PolarHBondContact O-NZ 2.92Å; F140-K289 HydrophobicContact CD1-CD 3.87Å; F140-K289 PolarHBondContact O-NZ 3.22Å; Y280-K289 HydrophobicContact CE1-CD 4.32Å; Y280-K289 HydrophobicContact CE1-CG 4.11Å; Y280-K289 HydrophobicContact CE2-CG 4.15Å; Y280-K289 WeakPolarHBondContact OH-CD 3.27Å; Y280-K289 WeakPolarHBondContact OH-CE 3.47Å; I285-K289 HydrophobicContact CG2-CD 4.35Å; I285-K289 HydrophobicContact CG2-CG 3.9Å; I285-K289 VanDerWaalsContact O-CG 3.23Å; I285-K289 WeakPolarHBondContact O-CG 3.3Å; I285-K289 PolarHBondContact O-N 3.03Å; T286-K289 PolarHBondContact O-N 3.4Å; R287-K289 VanDerWaalsContact C-N 3.28Å; R287-K289 PolarHBondContact O-N 3.24Å; K289-N293 WeakPolarHBondContact O-CB 3.36Å; K289-N293 PolarHBondContact O-N 3.31Å
290I96.4Very high95.4Very high41 Ų4170.3 Ų70.321%0.2134%0.34CS..Hα-helixtrans-60.9-50.4177.8-72164.8000111T286 R287 R292 F299 R300T286-I290 HydrophobicContact CG2-CD1 4.1Å; T286-I290 WeakPolarHBondContact O-CG1 3.28Å; T286-I290 PolarHBondContact O-N 3.22Å; R287-I290 WeakPolarHBondContact O-CA 3.34Å; R287-I290 WeakPolarHBondContact O-CB 3.41Å; R287-I290 PolarHBondContact O-N 2.91Å; I290-R292 VanDerWaalsContact C-N 3.32Å; I290-R292 PolarHBondContact O-N 3.32Å; I290-F299 HydrophobicContact CD1-CB 4.07Å; I290-F299 HydrophobicContact CG1-CB 4.05Å; I290-F299 HydrophobicContact CG2-CB 3.84Å; I290-R300 HydrophobicContact CG2-CB 4.45Å; I290-R300 HydrophobicContact CG2-CG 3.65Å; I290-R300 PolarHBondContact O-NE 3.22Å; I290-R300 PolarHBondContact O-NH2 3.3Å
291D96.3Very high93.9Very high83 Ų8372.3 Ų72.344%0.44435%0.354SS..Hα-helixtrans-65.4-31.7-175.7-64.8-23.2000113.4R287 R300R287-D291 VanDerWaalsContact O-CG 3.25Å; R287-D291 PolarHBondContact O-N 3.21Å; D291-R300 PolarHBondContact O-NH1 3.11Å; D291-R300 PolarHBondContact O-NH2 2.8Å
292R96.8Very high92Very high109 Ų10973.9 Ų73.941%0.41137%0.369SS..Hα-helixtrans-108.5-27.6-171.3-54.2-57179.999.9-3.7114.3L119 F140 L288 I290 P294L119-R292 HydrophobicContact CD1-CB 4.06Å; L119-R292 HydrophobicContact CD1-CG 3.87Å; F140-R292 HydrophobicContact CE1-CB 4.01Å; F140-R292 VanDerWaalsContact CZ-C 3.42Å; F140-R292 HydrophobicContact CZ-CB 3.96Å; F140-R292 WeakPolarHBondContact CZ-O 3.46Å; L288-R292 HydrophobicContact CD1-CG 3.69Å; L288-R292 HydrophobicContact CG-CG 4.3Å; L288-R292 VanDerWaalsContact O-CB 3.29Å; L288-R292 WeakPolarHBondContact O-CB 3.47Å; L288-R292 VanDerWaalsContact O-CG 3.29Å; L288-R292 WeakPolarHBondContact O-CG 3.43Å; L288-R292 PolarHBondContact O-N 3.13Å; L288-R292 VanDerWaalsContact O-N 3.16Å; I290-R292 VanDerWaalsContact C-N 3.32Å; I290-R292 PolarHBondContact O-N 3.32Å; R292-P294 WeakPolarHBondContact O-CD 3.49Å
293N96.4Very high90Very high27 Ų2777 Ų7714%0.14440%0.403CS..  trans-79.3120.1177.4-171.7-17.2000110.6F140 K289 F295 A296 R300F140-N293 HydrophobicContact CD1-CB 3.93Å; F140-N293 HydrophobicContact CD2-CB 3.9Å; F140-N293 HydrophobicContact CE1-CB 3.85Å; F140-N293 HydrophobicContact CE2-CB 3.82Å; F140-N293 HydrophobicContact CG-CB 3.96Å; F140-N293 VanDerWaalsContact CZ-CA 3.46Å; F140-N293 HydrophobicContact CZ-CB 3.81Å; K289-N293 WeakPolarHBondContact O-CB 3.36Å; K289-N293 PolarHBondContact O-N 3.31Å; N293-F295 PolarHBondContact O-N 2.87Å; N293-F295 WeakPolarHBondContact OD1-CB 3.38Å; N293-F295 WeakPolarHBondContact OD1-CD2 3.45Å; N293-F295 PolarHBondContact OD1-N 2.95Å; N293-A296 HydrophobicContact CB-CB 4.06Å; N293-A296 PolarHBondContact O-N 2.84Å; N293-R300 PolarHBondContact O-NH2 3Å
294P94.9Very high88.1Confident91 Ų9182.9 Ų82.959%0.59142%0.422SS*.G310 helixtrans-57.5-36.8177-24.935.5000113.1R292 A296 K297R292-P294 WeakPolarHBondContact O-CD 3.49Å; P294-A296 PolarHBondContact O-N 3.35Å; P294-K297 WeakPolarHBondContact O-CB 3.25Å; P294-K297 PolarHBondContact O-N 2.83Å; P294-K297 VanDerWaalsContact O-N 3.16Å
295F93.7Very high85.9Confident191 Ų19184.4 Ų84.484%0.83843%0.433SS*.G310 helixtrans-71.3-7178.9-57.7-73.3000113.7N293N293-F295 PolarHBondContact O-N 2.87Å; N293-F295 WeakPolarHBondContact OD1-CB 3.38Å; N293-F295 WeakPolarHBondContact OD1-CD2 3.45Å; N293-F295 PolarHBondContact OD1-N 2.95Å
296A93.1Very high83.8Confident15 Ų1591.7 Ų91.712%0.12446%0.461CS..G310 helixtrans-105.27.5174.400000113.2N293 P294 G298 F299N293-A296 HydrophobicContact CB-CB 4.06Å; N293-A296 PolarHBondContact O-N 2.84Å; P294-A296 PolarHBondContact O-N 3.35Å; A296-G298 PolarHBondContact O-N 2.58Å; A296-G298 VanDerWaalsContact O-N 3.12Å; A296-F299 PolarHBondContact O-N 3.34Å
297K90.1Very high81.7Confident135 Ų13599.6 Ų99.659%0.58750%0.498SS*.G310 helixtrans-50.6-40.7-175.4-176.1-177.3175.1-173.40113.4P294 F299 R300P294-K297 WeakPolarHBondContact O-CB 3.25Å; P294-K297 PolarHBondContact O-N 2.83Å; P294-K297 VanDerWaalsContact O-N 3.16Å; K297-F299 PolarHBondContact O-N 3.33Å; K297-R300 WeakPolarHBondContact O-CB 3.1Å; K297-R300 WeakPolarHBondContact O-CG 3.48Å; K297-R300 PolarHBondContact O-N 2.88Å
298G90.6Very high79.2Confident66 Ų6694.4 Ų94.468%0.6850%0.497SS*.G310 helixtrans-61.1-15.4-178.500000115.8A296A296-G298 PolarHBondContact O-N 2.58Å; A296-G298 VanDerWaalsContact O-N 3.12Å
299F88.6Confident77.1Confident104 Ų104100 Ų10046%0.45653%0.526SS..G310 helixtrans-93.1-6176.4-62.5-78.4000113.8I290 A296 K297I290-F299 HydrophobicContact CD1-CB 4.07Å; I290-F299 HydrophobicContact CG1-CB 4.05Å; I290-F299 HydrophobicContact CG2-CB 3.84Å; A296-F299 PolarHBondContact O-N 3.34Å; K297-F299 PolarHBondContact O-N 3.33Å
300R89.6Confident75.1Confident92 Ų92107 Ų10735%0.34756%0.559SS.*THydrogen-bonded Turntrans-74-45-178.3-62.9175.5-168.5-174.34.4111.7I290 D291 N293 K297 S302I290-R300 HydrophobicContact CG2-CB 4.45Å; I290-R300 HydrophobicContact CG2-CG 3.65Å; I290-R300 PolarHBondContact O-NE 3.22Å; I290-R300 PolarHBondContact O-NH2 3.3Å; D291-R300 PolarHBondContact O-NH1 3.11Å; D291-R300 PolarHBondContact O-NH2 2.8Å; N293-R300 PolarHBondContact O-NH2 3Å; K297-R300 WeakPolarHBondContact O-CB 3.1Å; K297-R300 WeakPolarHBondContact O-CG 3.48Å; K297-R300 PolarHBondContact O-N 2.88Å; R300-S302 VanDerWaalsContact C-N 3.31Å; R300-S302 PolarHBondContact O-N 3.47Å
301D68.8Low73.2Confident101 Ų101106.5 Ų106.554%0.5456%0.561SS.*G310 helixtrans-81.4-11.1-171.1-57.6-60.8000113.3G303 R304D301-G303 PolarHBondContact O-N 3.39Å; D301-G303 VanDerWaalsContact O-N 3.12Å; D301-R304 PolarHBondContact O-N 2.74Å
302S57.4Low71.5Confident65 Ų65108.1 Ų108.146%0.45557%0.569SS.*G310 helixtrans-57.4-25.2176.7-51.40000113.6R300R300-S302 VanDerWaalsContact C-N 3.31Å; R300-S302 PolarHBondContact O-N 3.47Å
303G55.5Low70Confident76 Ų76107.4 Ų107.478%0.78458%0.577SS**G310 helixtrans-81.7-6.9178.100000115.6D301D301-G303 PolarHBondContact O-N 3.39Å; D301-G303 VanDerWaalsContact O-N 3.12Å
304R56.1Low68.2Low218 Ų218111.5 Ų111.582%0.82360%0.595SS**THydrogen-bonded Turntrans-106.1-30.1-174.2-170.5170.1175.9175.2-1.8114.5D301D301-R304 PolarHBondContact O-N 2.74Å
305N51.7Low66.5Low141 Ų141109.6 Ų109.675%0.75458%0.584SS**SBendtrans-120.713.9-171.2-68.7-13.2000114.5
306R53.4Low64.8Low152 Ų152107.8 Ų107.857%0.57457%0.573SS**  trans-127.199.4170.7-74.7-166.8173.7-158.92.6110.9A311 E314R306-A311 HydrophobicContact CB-CB 4.18Å; R306-E314 IonicContact CZ-OE2 3.41Å; R306-E314 IonicContact NH1-OE2 3Å; R306-E314 PolarHBondContact NH1-OE2 3.17Å
307M54Low63.2Low192 Ų192110.1 Ų110.195%0.94659%0.592SS**  trans-71146.1158.657.8177.868.800109.5
308G44.4Very low61.5Low58 Ų58111.1 Ų111.160%0.59860%0.596SS**SBendtrans111.2147.4172.500000115.5E310G308-E310 PolarHBondContact O-N 3.36Å
309L54.5Low59.7Low137 Ų137116.1 Ų116.172%0.71760%0.595SS**THydrogen-bonded Turntrans-60.1-26.3-177.3-16868.6000113.2A311 L312 V313L309-A311 VanDerWaalsContact C-N 3.34Å; L309-A311 PolarHBondContact O-N 2.81Å; L309-L312 WeakPolarHBondContact O-CB 3.41Å; L309-L312 PolarHBondContact O-N 3.09Å; L309-L312 VanDerWaalsContact O-N 3.1Å; L309-V313 PolarHBondContact O-N 2.85Å
310E54.8Low58.1Low152 Ų152119.7 Ų119.771%0.7161%0.605SS**Hα-helixtrans-59-39-175-59.1-174.1152.200113.2G308 L312 V313 E314G308-E310 PolarHBondContact O-N 3.36Å; E310-L312 PolarHBondContact O-N 2.96Å; E310-V313 PolarHBondContact O-N 3.1Å; E310-E314 PolarHBondContact O-N 3.33Å
311A57.5Low55.7Low32 Ų32120.9 Ų120.926%0.26463%0.625SS.*Hα-helixtrans-62.9-28.3178.900000112.9R306 L309 S315R306-A311 HydrophobicContact CB-CB 4.18Å; L309-A311 VanDerWaalsContact C-N 3.34Å; L309-A311 PolarHBondContact O-N 2.81Å; A311-S315 WeakPolarHBondContact O-CB 3.32Å; A311-S315 PolarHBondContact O-N 3.41Å; A311-S315 PolarHBondContact O-OG 3.41Å
312L60.7Low54.4Low117 Ų117121.3 Ų121.361%0.61364%0.636SS**Hα-helixtrans-75.8-38.6173.2-162.977.6000111.3L309 E310 S315 Y316L309-L312 WeakPolarHBondContact O-CB 3.41Å; L309-L312 PolarHBondContact O-N 3.09Å; L309-L312 VanDerWaalsContact O-N 3.1Å; E310-L312 PolarHBondContact O-N 2.96Å; L312-S315 PolarHBondContact O-OG 3.1Å; L312-S315 VanDerWaalsContact O-OG 3.13Å; L312-Y316 WeakPolarHBondContact O-CB 3.41Å; L312-Y316 PolarHBondContact O-N 3.44Å
313V65Low54Low93 Ų93125.8 Ų125.856%0.56465%0.654SS**Hα-helixtrans-70.6-47179.2176.30000111.4L309 E310 S315 Y316 A317L309-V313 PolarHBondContact O-N 2.85Å; E310-V313 PolarHBondContact O-N 3.1Å; V313-S315 VanDerWaalsContact C-N 3.35Å; V313-S315 PolarHBondContact O-N 2.71Å; V313-Y316 PolarHBondContact O-N 3.18Å; V313-A317 WeakPolarHBondContact O-CB 3.36Å; V313-A317 PolarHBondContact O-N 3.39Å
314E57.4Low53.4Low113 Ų113132.5 Ų132.553%0.52866%0.656SS.*Hα-helixtrans-58.8-44.9175.6-73.7-167.6130.100111.4R306 E310 A317 F318R306-E314 IonicContact CZ-OE2 3.41Å; R306-E314 IonicContact NH1-OE2 3Å; R306-E314 PolarHBondContact NH1-OE2 3.17Å; E310-E314 PolarHBondContact O-N 3.33Å; E314-A317 PolarHBondContact O-N 2.92Å; E314-F318 WeakPolarHBondContact O-CB 3.26Å; E314-F318 PolarHBondContact O-N 3.29Å
315S60.3Low52.8Low52 Ų52128.1 Ų128.136%0.36465%0.653SS.*Hα-helixtrans-67.7-35.3177.654.10000112.4A311 L312 V313 A317 W319A311-S315 WeakPolarHBondContact O-CB 3.32Å; A311-S315 PolarHBondContact O-N 3.41Å; A311-S315 PolarHBondContact O-OG 3.41Å; L312-S315 PolarHBondContact O-OG 3.1Å; L312-S315 VanDerWaalsContact O-OG 3.13Å; V313-S315 VanDerWaalsContact C-N 3.35Å; V313-S315 PolarHBondContact O-N 2.71Å; S315-A317 VanDerWaalsContact C-N 3.33Å; S315-A317 PolarHBondContact O-N 3.5Å; S315-W319 PolarHBondContact O-N 3.25Å
316Y57.9Low52.3Low153 Ų153128.2 Ų128.260%0.665%0.653SS**Hα-helixtrans-67.1-32.4172.1-125.3-91.9000113.3L312 V313L312-Y316 WeakPolarHBondContact O-CB 3.41Å; L312-Y316 PolarHBondContact O-N 3.44Å; V313-Y316 PolarHBondContact O-N 3.18Å
317A58.8Low52.1Low63 Ų63125.3 Ų125.352%0.52165%0.652SS.*Hα-helixtrans-71.5-44.6175.100000111.8V313 E314 S315 W319 R320V313-A317 WeakPolarHBondContact O-CB 3.36Å; V313-A317 PolarHBondContact O-N 3.39Å; E314-A317 PolarHBondContact O-N 2.92Å; S315-A317 VanDerWaalsContact C-N 3.33Å; S315-A317 PolarHBondContact O-N 3.5Å; A317-W319 VanDerWaalsContact C-N 3.27Å; A317-W319 PolarHBondContact O-N 3.36Å; A317-R320 PolarHBondContact O-N 3.32Å; A317-R320 VanDerWaalsContact O-N 3.14Å
318F54.9Low51.2Low157 Ų157124.8 Ų124.869%0.68965%0.645SS**Hα-helixtrans-64-26.7-176.3-162.9-91.7000113.9E314E314-F318 WeakPolarHBondContact O-CB 3.26Å; E314-F318 PolarHBondContact O-N 3.29Å
319W51.8Low51.3Low170 Ų170130.3 Ų130.364%0.64466%0.655SS**THydrogen-bonded Turntrans-92.1-0.3177.3-67.5114.8000114.7S315 A317S315-W319 PolarHBondContact O-N 3.25Å; A317-W319 VanDerWaalsContact C-N 3.27Å; A317-W319 PolarHBondContact O-N 3.36Å
320R55.5Low50.7Low179 Ų179128.7 Ų128.768%0.67565%0.647SS**SBendtrans-87.7142.3169.1-82.5-173.3164.8175.7-3.1110.8A317 S322A317-R320 PolarHBondContact O-N 3.32Å; A317-R320 VanDerWaalsContact O-N 3.14Å; R320-S322 PolarHBondContact O-N 3.28Å
321P39.5Very low50.6Low118 Ų118126.7 Ų126.777%0.76664%0.64SS**  trans-53.6134.6161.4-21.733.1000109.2L323P321-L323 PolarHBondContact O-N 2.98Å
322S40.5Very low49.7Very low109 Ų109131.7 Ų131.776%0.76267%0.67SS**  trans-64.3100.2-179.1-176.10000110.2R320 R324R320-S322 PolarHBondContact O-N 3.28Å; S322-R324 VanDerWaalsContact C-N 3.29Å; S322-R324 PolarHBondContact O-N 3.28Å
323L50Low48.9Very low159 Ų159129.5 Ų129.583%0.83268%0.675SS**  trans-65.997.9156.1-69.4177.5000105.8P321 T325P321-L323 PolarHBondContact O-N 2.98Å; L323-T325 PolarHBondContact O-N 3.2Å; L323-T325 VanDerWaalsContact O-N 3.11Å
324R43.7Very low47.5Very low218 Ų218133.3 Ų133.382%0.82369%0.689SS**  trans-53.8120.7165.6-76.6-171.2171.8114.7-2.6107.3S322 L326S322-R324 VanDerWaalsContact C-N 3.29Å; S322-R324 PolarHBondContact O-N 3.28Å; R324-L326 PolarHBondContact O-N 3.41Å
325T43.1Very low46.5Very low126 Ų126132.7 Ų132.777%0.77370%0.704SS**  trans-56.2113163.5-43.30000106.4L323 T327L323-T325 PolarHBondContact O-N 3.2Å; L323-T325 VanDerWaalsContact O-N 3.11Å; T325-T327 PolarHBondContact O-N 2.92Å
326L39.5Very low45.4Very low142 Ų142140 Ų14074%0.74373%0.729SS**  trans-63.8104176.8-73.3172.4000107.7R324 D330R324-L326 PolarHBondContact O-N 3.41Å; L326-D330 HydrophobicContact CD2-CB 4.14Å
327T49.3Very low44.4Very low92 Ų92141.9 Ų141.956%0.56474%0.743SS**  trans-73150.6171.838.80000108.9T325 E329 D330T325-T327 PolarHBondContact O-N 2.92Å; T327-E329 PolarHBondContact O-N 3.04Å; T327-D330 PolarHBondContact O-N 3.19Å; T327-D330 VanDerWaalsContact O-N 3.09Å
328F36.7Very low43.1Very low180 Ų180142.2 Ų142.279%0.78975%0.753SS**THydrogen-bonded Turntrans-59.5-9.8-170.4-172.2-103.6000115.3I331F328-I331 HydrophobicContact CE2-CD1 4.45Å
329E46.3Very low42.3Very low175 Ų175142.3 Ų142.382%0.81876%0.759SS**THydrogen-bonded Turntrans-80.8-11.9176.4-57.7-162.1125.200114.6T327 I331T327-E329 PolarHBondContact O-N 3.04Å; E329-I331 PolarHBondContact O-N 2.91Å
330D41.7Very low41.6Very low102 Ų102140.1 Ų140.155%0.54577%0.767SS.*  trans-74.822.6-179.9-74.6-49.7000114.2L326 T327L326-D330 HydrophobicContact CD2-CB 4.14Å; T327-D330 PolarHBondContact O-N 3.19Å; T327-D330 VanDerWaalsContact O-N 3.09Å
331I51.7Low40.3Very low111 Ų111134.6 Ų134.657%0.56977%0.765SS**  trans-108.8108178.9-55.5178000110.3F328 E329 G333F328-I331 HydrophobicContact CE2-CD1 4.45Å; E329-I331 PolarHBondContact O-N 2.91Å; I331-G333 PolarHBondContact O-N 2.95Å; I331-G333 VanDerWaalsContact O-N 3.1Å
332P39.7Very low39.9Very low136 Ų136134.4 Ų134.488%0.88376%0.762SS**THydrogen-bonded Turntrans-75.5100.3174.3-6.723.3000110
333G42.5Very low39.5Very low71 Ų71138 Ų13873%0.73277%0.766SS**THydrogen-bonded Turntrans172.8-7.3176.500000119.7I331I331-G333 PolarHBondContact O-N 2.95Å; I331-G333 VanDerWaalsContact O-N 3.1Å
334M36.6Very low38.6Very low173 Ų173134.1 Ų134.185%0.85277%0.765SS**  trans-115.1117.3-179.2-66.1-169.572.700112.3
335A36Very low37.9Very low101 Ų101127.2 Ų127.284%0.83576%0.762SS**  trans-75.8137.2178.900000111.7Q337A335-Q337 PolarHBondContact O-N 3.4Å
336K38.5Very low37.3Very low206 Ų206128.4 Ų128.490%0.89677%0.768SS**  trans-74.4111.6167.3-69.6-177.7178.1179.40109.1
337Q35.5Very low36.9Very low191 Ų191125.2 Ų125.289%0.89377%0.77SS**PPolyproline II helixtrans-99.6122.3165.9-165.41658.200109.2A335A335-Q337 PolarHBondContact O-N 3.4Å
338G32Very low36.1Very low70 Ų70127 Ų12772%0.72278%0.781SS**PPolyproline II helixtrans-81.4151.5-175.500000113.7
339I37.3Very low35.9Very low159 Ų159123.6 Ų123.682%0.81578%0.779SS**PPolyproline II helixtrans-76.6157.2171.2-31177.6000109.3
340P37.6Very low35.4Very low125 Ų125119.2 Ų119.281%0.81277%0.768SS**  -144.7134114.134.7-19.6000116
341G29.8Very low35Very low62 Ų62122.1 Ų122.164%0.63978%0.778SS**  trans84160.9155.800000118.4
342T30.4Very low34.3Very low115 Ų115123.9 Ų123.971%0.70679%0.788SS**  cis-160.4156.4-18.3-39.80000109.8
343H32.1Very low33.9Very low184 Ų184124.6 Ų124.685%0.85278%0.783SS**  trans72.8134164.5-49.7-72000120.5
344G29.9Very low33.2Very low78 Ų78126.1 Ų126.180%0.80478%0.783SS**  114.990.8122.300000121.2
345G29.7Very low33Very low73 Ų73124 Ų12475%0.75378%0.78SS**  92.2113.4122.400000122.2
346V31.2Very low32.8Very low150 Ų150123.9 Ų123.991%0.90977%0.773SS**  trans63.1120.9138.8-169.20000120.6
347G31Very low32.8Very low75 Ų75120.2 Ų120.277%0.77377%0.77SS**  trans-171.2143161.300000110.3
348T31.3Very low32.6Very low130 Ų130117.3 Ų117.380%0.79877%0.769SS**  trans-130150-159.148.90000116.1
349S33.3Very low32.8Very low108 Ų108119.5 Ų119.576%0.75577%0.773SS**  trans63.7121.4160.9-95.80000118.9
350S35.3Very low32.8Very low83 Ų83116.9 Ų116.958%0.5877%0.77SS**  75.1136.274.881.90000113.4
351H34.1Very low33.3Very low163 Ų163115.6 Ų115.676%0.75576%0.761SS**  cis-133177.116.9-74-94.5000110.6
352L36Very low33.3Very low149 Ų149122.7 Ų122.778%0.7878%0.775SS**  cis-157.3148.949.2-74.2160.7000114.3
353L32.4Very low33.5Very low150 Ų150125.4 Ų125.479%0.78578%0.779SS**  trans13.2127.8145.1-43.4177.5000118.7
354S28.4Very low33.5Very low104 Ų104123.7 Ų123.773%0.72778%0.782SS**  cis83.5136.413.8-152.30000118.8
355T31.2Very low33.7Very low128 Ų128124.7 Ų124.779%0.78578%0.775SS**  trans68.4150.3172.987.60000117.6
356S31Very low34.3Very low99 Ų99127.2 Ų127.269%0.69278%0.778SS**  cis-147.6156.83.7-59.40000112.2
357P38.8Very low34.3Very low129 Ų129127.9 Ų127.984%0.83878%0.776SS**  trans-106.1155140.935.6-28.9000111.3
358C31.5Very low34.7Very low129 Ų129129.9 Ų129.987%0.87278%0.778SS**  trans-93.6156.5-173.7-65.20000114.5
359S36.9Very low35.9Very low116 Ų116129.3 Ų129.381%0.81178%0.776SS**  trans-60.7172.5173.4-39.30000112.6
360S36.8Very low36.6Very low105 Ų105129.3 Ų129.373%0.73477%0.773SS**  cis-166.3-167.126.3-153.30000110.4
361P47.8Very low36.3Very low97 Ų97131.9 Ų131.963%0.6378%0.781SS**  -122.9168.6-85.339.4-24.9000114.1
362F30.3Very low36.1Very low212 Ų212135 Ų13593%0.9379%0.788SS**  -163.2127.2129.9-100.2-66.3000109.1
363Q35.2Very low36.1Very low172 Ų172132.7 Ų132.780%0.80478%0.784SS**  trans-103.4139.1176.7-75.7178.2-94.100111.2
364V31.4Very low35.8Very low148 Ų148131 Ų13190%0.89778%0.783SS**  trans-138.2137.5149-1670000107.3
365C34.3Very low35.9Very low98 Ų98130.4 Ų130.466%0.66278%0.779SS**  trans-83.1150.3-170-58.80000113.4
366P41.1Very low36.3Very low126 Ų126134.9 Ų134.982%0.81878%0.782SS**  trans-84.2124.5166.933.1-30.7000111.1
367L33.2Very low36.8Very low165 Ų165135.1 Ų135.186%0.86478%0.781SS**  trans-143130.2170.7-82.6174000111
368S38.6Very low36.8Very low116 Ų116134 Ų13481%0.81177%0.772SS**  trans-158156.5176.1-57.70000109.1
369P55.9Low36.9Very low118 Ų118136 Ų13677%0.76677%0.768SS**  cis-112.9-161.9-32.836.8-19.1000109.4
370P47.6Very low37.4Very low108 Ų108134.5 Ų134.570%0.70176%0.756SS**  -146166.481.538.1-20000116.1
371D30Very low37.1Very low138 Ų138138.1 Ų138.174%0.73877%0.766SS**  trans27122.3147.7-49.2-30.9000121.1
372Y30.6Very low36.3Very low228 Ų228140.6 Ų140.689%0.89477%0.769SS**  -163.5166.792.1-117.9-91.8000111.8
373S34.4Very low36.2Very low100 Ų100136 Ų13670%0.69976%0.761SS**  trans-82.6150.717755.30000112.9
374C27.6Very low36.2Very low114 Ų114138.5 Ų138.577%0.7777%0.765SS**  177.9160.8108.1-146.20000114.3
375S29.6Very low36.2Very low93 Ų93134.3 Ų134.365%0.6575%0.752SS**  trans26.6117.6150.954.30000122
376R39.2Very low36.1Very low221 Ų221138 Ų13883%0.83477%0.765SS**  trans-64.1143.9139-162.1-169.1-151.6-161.58.8109.3
377P42.8Very low35.7Very low104 Ų104136.2 Ų136.268%0.67576%0.762SS**  trans-134.8126.314232.3-18.7000113.9
378T37.2Very low36.7Very low107 Ų107133.6 Ų133.666%0.65675%0.754SS**  trans-86138.6155.444.40000109.1
379H34.9Very low36.5Very low169 Ų169135.9 Ų135.978%0.78275%0.752SS**  trans-154.6159.5176.7-107.4-58.4000111.3
380P46.1Very low36.4Very low85 Ų85134.1 Ų134.155%0.55274%0.74SS**  -133.7178.8-88.444.3-32.6000114.3
381L31.7Very low35.9Very low181 Ų181137.7 Ų137.795%0.94875%0.745SS**  trans-133153.5132.4-83.8-175000109.8
382H30.9Very low36.7Very low149 Ų149136.8 Ų136.869%0.6975%0.747SS**  trans-90.1140.9-160-109.6-93.8000114.4
383C28.1Very low37.4Very low115 Ų115131.1 Ų131.178%0.77774%0.738SS**  trans-89.1150.7139.7-62.80000109
384Y35.5Very low38.1Very low225 Ų225132.2 Ų132.288%0.88274%0.743SS**  trans-104.2145.1141.8-95.4-91.4000106.9
385G31.9Very low38.6Very low61 Ų61138.7 Ų138.763%0.62975%0.751SS**  trans-147.9179.4179.800000111.4
386N31.8Very low38.6Very low175 Ų175137.7 Ų137.794%0.93676%0.755SS**  trans-163156.9157.1-94.2-29.3000109.4
387A32.4Very low38.9Very low89 Ų89132.9 Ų132.974%0.73675%0.753SS**  trans-161-178-17900000107.8
388P54.8Low38.3Very low109 Ų109132.6 Ų132.671%0.70875%0.754SS**  cis-134.7172.4-741.5-25.7000115.6
389E34.5Very low38Very low165 Ų165133 Ų13377%0.77176%0.761SS**  trans63.7165.1144.8-73.3-91.687.400120.6
390P53.1Low37.9Very low80 Ų80134.8 Ų134.852%0.51976%0.762SS.*  cis-138.8174.8-28.335.3-16.7000116.7
391F36Very low37.2Very low184 Ų184137.9 Ų137.981%0.80777%0.769SS**  trans72.1163152-65.1-43.4000121.6
392P46.9Very low37.2Very low118 Ų118132.9 Ų132.977%0.76676%0.762SS**  cis-134.3-133-47.844.2-26000113.6
393P45.9Very low37.2Very low110 Ų110134.8 Ų134.871%0.71477%0.771SS**  trans-119.4177-138.543.4-24.7000116.9
394P49.2Very low37.4Very low123 Ų123133 Ų13380%0.79977%0.772SS**  trans-90.5144.117234.4-33.8000115
395R37.2Very low37.3Very low249 Ų249130.6 Ų130.694%0.9477%0.767SS**  trans-134.9157.1154.7-79.3-174.3173.1-174.1-1108
396G30.3Very low37.3Very low72 Ų72139 Ų13974%0.74278%0.78SS**  trans-74.3-168.7173.100000113.5
397P45.3Very low37.4Very low121 Ų121135.2 Ų135.279%0.78677%0.766SS**  cis-146.6-165.636.943-22.3000117.1
398S31.3Very low37.4Very low98 Ų98139.8 Ų139.869%0.68578%0.777SS**  trans67.2110.1148.766.60000122.7
399S30.2Very low36.4Very low116 Ų116139 Ų13981%0.81178%0.78SS**  28127.9126.860.20000122.5
400Y31.8Very low36.6Very low206 Ų206139.4 Ų139.481%0.80879%0.787SS**  trans-166.9171.7135.1180-114.7000111
401E31.6Very low36.4Very low149 Ų149141.5 Ų141.570%0.69680%0.8SS**  trans-77.3173.4-168-54.8172.1133.100116
402G31.6Very low36.6Very low77 Ų77137.7 Ų137.779%0.79480%0.803SS**  trans172.7119.9165.400000113.9
403E31.9Very low36.2Very low188 Ų188136.5 Ų136.588%0.87980%0.803SS**  trans-83.1160.5-177.3-61.8-179.596.100114.4
404G32Very low35.7Very low79 Ų79140.1 Ų140.181%0.81481%0.811SS**  trans-17491.717300000115.2
405F33.5Very low35.1Very low174 Ų174141.1 Ų141.176%0.76381%0.808SS**  trans-76.7138.1-178.1-93.4-102.1000115
406R32.9Very low34.8Very low238 Ų238132.5 Ų132.590%0.89880%0.798SS**  171.3120.6116.1-91168.7-177.7-161.6-0.2109.8
407S32.5Very low35.1Very low94 Ų94138.7 Ų138.766%0.65780%0.8SS**  89.310251.3-63.80000114.5
408L33.3Very low34.5Very low185 Ų185140 Ų14097%0.96980%0.8SS**  trans-133.3160.4144.5-76.7-179.5000107.9
409A33.3Very low34.5Very low93 Ų93141 Ų14177%0.76981%0.807SS**  trans-142.9167.5-160.200000113.6
410L38.3Very low34.5Very low173 Ų173142.8 Ų142.891%0.90681%0.807SS**  trans177.8165.7134.3-89.7162.9000109.6
411P48.5Very low35.6Very low124 Ų124138.5 Ų138.581%0.80580%0.804SS**  trans-113.8-173.5-146.243.6-38.4000116.5
412A40.5Very low35.7Very low105 Ų105135.5 Ų135.587%0.86881%0.805SS**  trans-132.8150.6-179.700000114.2
413A38.5Very low36.9Very low93 Ų93137.1 Ų137.177%0.76980%0.802SS**  trans-168.9156.6172.100000108.5
414Q36.5Very low37.2Very low185 Ų185137.9 Ų137.986%0.86481%0.805SS**  cis-156.9-172.8-9.7-128.3178.6-22.300111.8
415L36.2Very low37.1Very low144 Ų144137.1 Ų137.175%0.75480%0.798SS**  trans-68159.8-165.5-81.770.4000119.7
416G31.2Very low37.2Very low69 Ų69140 Ų14071%0.71181%0.805SS**  trans114156.4136.600000117.6
417Y36.4Very low37.5Very low202 Ų202133.2 Ų133.279%0.79280%0.799SS**  cis-168.8154-17.1-113.8-61.9000111.2
418L32.5Very low37.4Very low149 Ų149132 Ų13278%0.7880%0.802SS**  trans72.3118.8150-71.7168.7000125.3
419S31.2Very low37.6Very low119 Ų119131.2 Ų131.283%0.83280%0.798SS**  99147.3121.370.50000124
420N31.3Very low37.7Very low153 Ų153136.8 Ų136.882%0.81880%0.799SS**  trans-104.4-171.3-169.4-139.311.1000109.9
421P52.9Low37.5Very low115 Ų115135.3 Ų135.375%0.74779%0.791SS**  cis-140.3-169.513.142.1-19.6000117.8
422A34.4Very low36.7Very low86 Ų86136 Ų13671%0.71178%0.784SS**  trans-100.8-152.9176.800000111.3
423P57.7Low36.7Very low112 Ų112137.6 Ų137.673%0.72778%0.783SS**  cis-143-179.3-3.645-26.6000117.5
424Q37.2Very low37Very low203 Ų203137.6 Ų137.695%0.94978%0.775SS**  trans166.9142.7141.2-94.2172.843.800109.9
425G30.2Very low37.8Very low64 Ų64134.3 Ų134.366%0.6677%0.77SS**  cis-176.3157.1-1000000113
426Y36.6Very low37.6Very low235 Ų235137.9 Ų137.992%0.92278%0.775SS**  trans21.6149.9154.8-65.7-80.3000123.4
427A37.5Very low37.6Very low94 Ų94139 Ų13978%0.77777%0.771SS**  cis-165.8156.65.900000115
428G32.2Very low37.4Very low70 Ų70136.7 Ų136.772%0.72277%0.772SS**  trans87141.915200000117.9
429L35.8Very low37.5Very low167 Ų167140.1 Ų140.187%0.87478%0.776SS**  cis-142.8126.7-10.2-65.3168.1000106.4
430R35.5Very low37.3Very low211 Ų211137.7 Ų137.780%0.79677%0.77SS**  45.6130.585.4-92.7-166.3170.9-171.3-1.8113.8
431L33.9Very low37.3Very low141 Ų141141 Ų14174%0.73877%0.772SS**  cis-15516221.8-87.5123000109
432H32.8Very low36.3Very low140 Ų140141.4 Ų141.465%0.64877%0.773SS**  cis-163.3143.5-17.9-150.9-117.3000109.7
433T40.7Very low36.7Very low138 Ų138147 Ų14785%0.84778%0.782SS**  trans-133.7130.7168-46.60000109.2
434P44.1Very low35.9Very low93 Ų93147.3 Ų147.360%0.60478%0.783SS**  trans-150.6173.6145.236.9-19.7000114.1
435P52.9Low36.4Very low116 Ų116143.7 Ų143.775%0.75378%0.777SS**  cis-135.8170.1-37.437-20.7000114.7
436Y32Very low37Very low219 Ų219145.9 Ų145.986%0.85978%0.783SS**  trans-22157.6141.4-74.7-86000116.9
437S31.2Very low37.6Very low92 Ų92140.6 Ų140.664%0.64378%0.777SS**  cis-164.7157.418.9-118.20000111.5
438L33.3Very low37.4Very low153 Ų153148 Ų14880%0.80179%0.785SS**  171.2159.2117.6-109.395.8000113
439Y34.1Very low37.7Very low221 Ų221153 Ų15387%0.86780%0.795SS**  trans-17.9137.3161.9-68.3-103.3000116.1
440G27.9Very low37.4Very low68 Ų68149.8 Ų149.870%0.70179%0.792SS**  cis117.3141.643.900000110.5
441Y30.9Very low37.3Very low223 Ų223145 Ų14588%0.87580%0.797SS**  trans72114.4165.2-85.5-88.6000122.8
442T30.6Very low37.3Very low124 Ų124143.5 Ų143.576%0.76180%0.798SS**  trans67.6142.2141.141.70000123.2
443F44.6Very low38.3Very low204 Ų204141.9 Ų141.990%0.89580%0.8SS**  trans-73.1147.8177.2-62.6-95.6000114.5
444P40.6Very low38Very low117 Ų117142.2 Ų142.276%0.7680%0.797SS**  trans-101.8165.1145.8-2.923.8000112.5
445P47.9Very low37.5Very low127 Ų127147.7 Ų147.783%0.82581%0.811SS**  trans-105.5-177.3-161.641.2-37.4000116.3
446S42.1Very low36.6Very low110 Ų110151.3 Ų151.377%0.76982%0.82SS**  trans-58.3149.2-178.5-37.70000115.6
447P48.4Very low36.6Very low124 Ų124145 Ų14581%0.80581%0.813SS**  trans-77.9133.416831.8-33.1000112.1
448R34.3Very low36.5Very low249 Ų249147.1 Ų147.194%0.9482%0.823SS**  trans-110.4137.6152.2-79.6-172.7172.4-163.5-0.8107.9
449L37.3Very low36.5Very low177 Ų177143.9 Ų143.993%0.92782%0.818SS**  trans-100.2143.4174.4-74169.4000111
450A29.7Very low36.3Very low98 Ų98139.2 Ų139.281%0.8181%0.813SS**  trans-157.5149.3169.900000112
451A33.1Very low36.5Very low110 Ų110142.2 Ų142.291%0.90982%0.818SS**  trans72.8154165.700000119.8
452S34Very low36.6Very low110 Ų110135.7 Ų135.777%0.76981%0.81SS**  trans-110.9-178.9-177.3-158.90000109.7
453P54.3Low36.7Very low106 Ų106134.4 Ų134.469%0.68881%0.806SS**  -156.9171.376.841.8-20.7000119.1
454D35Very low36.1Very low145 Ų145132.2 Ų132.278%0.77580%0.798SS**  trans52.2124.5144.7-60.4-24.9000125.1
455K34.1Very low35.7Very low209 Ų209134.9 Ų134.991%0.90980%0.801SS**  -169.7157.898.2-106.8-179.7179.31790116
456M32.8Very low35Very low191 Ų191133.7 Ų133.794%0.94180%0.795SS**  trans-73.9171.7171.2-62.1170.5156.700112
457A32.7Very low35.5Very low86 Ų86133.3 Ų133.371%0.71179%0.79SS**  cis-146-172.61500000109.9
458T30Very low34.8Very low138 Ų138135.5 Ų135.585%0.84779%0.787SS**  cis-155.2169.217.9-33.30000110.5
459A32.1Very low34.6Very low85 Ų85132 Ų13270%0.70278%0.781SS**  trans-71.9170.8177.800000113.5
460T29.7Very low34.2Very low123 Ų123126.5 Ų126.576%0.75577%0.768SS**  cis-133.3-161.124.8530000112
461T31.4Very low34.2Very low131 Ų131128 Ų12880%0.80477%0.772SS**  cis-160.3178.917.1-19.20000113.5
462A34.1Very low34.5Very low86 Ų86128.1 Ų128.171%0.71177%0.766SS**  trans-53.4168.4164.600000116.4
463S31.8Very low35.3Very low96 Ų96129 Ų12967%0.67177%0.77SS**  cis-172.5171.6-12.653.20000112.8
464H33.2Very low34.7Very low158 Ų158130.1 Ų130.173%0.73178%0.779SS**  trans68.3136.1150.7-85.2-67.6000124.2
465Q31.6Very low34.5Very low174 Ų174126.4 Ų126.481%0.81378%0.775SS**  trans82.4128138.5-74.7173.280.400122.5
466S33Very low34.7Very low102 Ų102122.5 Ų122.571%0.71377%0.769SS**  trans-89.8-170.5155.560.60000109.2
467P53.9Low34.8Very low101 Ų101121.1 Ų121.166%0.65677%0.765SS**  cis-145.2-165.49.526.72.2000116.6
468F32.1Very low35Very low170 Ų170123 Ų12375%0.74677%0.768SS**  trans86.3135.4148.8-88.3-60.2000123.9
469H31.5Very low35.1Very low175 Ų175123.4 Ų123.481%0.8177%0.765SS**  trans57.9156.2158.8-60.5-62.5000118.9
470G27.7Very low35.3Very low63 Ų63123.9 Ų123.965%0.64976%0.763SS**  cis162157.9-10.700000113.7
471S31.1Very low35.5Very low130 Ų130126 Ų12691%0.90977%0.769SS**  trans72.9150.5163.7-56.10000120.6
472S37.9Very low35.5Very low112 Ų112122.9 Ų122.978%0.78376%0.763SS**  trans-88.6176.5167.3-45.70000111.7
473P51.5Low35.5Very low129 Ų129124.7 Ų124.784%0.83877%0.765SS**  -138.2176.3127.639-28.1000114.5
474S40.9Very low35.7Very low128 Ų128128.2 Ų128.290%0.89578%0.775SS**  trans-129.7158.8177.2-61.90000111.9
475G31.9Very low35.5Very low67 Ų67124.3 Ų124.369%0.69178%0.778SS**  trans112.1164.9166.400000115
476T37.5Very low35.4Very low127 Ų127120.2 Ų120.278%0.77978%0.782SS**  cis-172.7145.2-12.93.50000109.9
477L35.5Very low35.3Very low163 Ų163118.8 Ų118.885%0.85378%0.784SS**  trans64.5162.1163.7-57.4166.7000115.5
478T37.3Very low34.3Very low124 Ų124122.4 Ų122.476%0.76179%0.792SS**  cis-138.8179.8-9.7200000106.8
479D31.2Very low34.3Very low147 Ų147123.1 Ų123.179%0.78680%0.797SS**  cis-157.2-162.429.1-159.1-4.3000112.9
480S36.7Very low34.3Very low96 Ų96117.8 Ų117.867%0.67179%0.79SS**  trans-103.6-175-161.2-42.20000112.8
481L34.1Very low34.4Very low167 Ų167124.1 Ų124.187%0.87480%0.8SS**  cis-170.416234.2-132.3171.5000110.5V483L481-V483 HydrophobicContact CD2-CG2 4.07Å
482G31.9Very low34.6Very low66 Ų66124.9 Ų124.968%0.6879%0.793SS**  trans121.6107.3173.400000114.9
483V34.3Very low34.5Very low123 Ų123129 Ų12975%0.74580%0.797SS**  cis75.5111.220.8-173.40000111.3L481L481-V483 HydrophobicContact CD2-CG2 4.07Å
484L34.9Very low33.4Very low170 Ų170130 Ų13089%0.8980%0.796SS**  cis-133.8179.614.7-67.6164.4000111
485G29.3Very low33Very low77 Ų77128.7 Ų128.779%0.79479%0.787SS**  cis140.2103.1-9.500000115.5
486G29.7Very low33.2Very low88 Ų88136.9 Ų136.991%0.90780%0.797SS**  trans99.3156.416900000116.6
487G29.8Very low33.2Very low72 Ų72137.7 Ų137.774%0.74280%0.802SS**  cis169.2157.5-8.500000114.1
488Q33.9Very low33.2Very low177 Ų177138.2 Ų138.283%0.82781%0.805SS**  trans70.5128.2176.4-67.5-178.4100116.3
489Q32.1Very low32.9Very low184 Ų184135.2 Ų135.286%0.8680%0.798SS**  64133.273.9-62.4179.453.500113.8
490G30.8Very low33Very low64 Ų64135.5 Ų135.566%0.6680%0.804SS**  cis168.8164.9-700000113.1
491F30.5Very low32.8Very low196 Ų196135.1 Ų135.186%0.8681%0.808SS**  trans65.1126.4166-65.2-79.6000122.7
492L34.1Very low32.6Very low146 Ų146131.1 Ų131.176%0.76481%0.806SS**  trans44.7123.7132.8-63.9172.5000123.7
493F36.8Very low32.6Very low197 Ų197133.9 Ų133.986%0.86482%0.815SS**  39.3115.8128.2-101.6-78.5000121.6
494D28.5Very low32.7Very low151 Ų151136.8 Ų136.881%0.80782%0.82SS**  trans-163.2158.3150.2-13512.3000107.9
495S31.9Very low33.8Very low100 Ų100134.7 Ų134.770%0.69982%0.817SS**  cis-153.2-173.2-19.4-140.10000111
496R35.6Very low33.9Very low239 Ų239134.9 Ų134.990%0.90282%0.819SS**  trans-87154.4176.6-62.9171.1174.5163.7-3.7113
497T38Very low34.1Very low144 Ų144134.8 Ų134.888%0.88382%0.818SS**  trans-129.4143.9160-46.20000110.4
498L36.3Very low34.2Very low175 Ų175135.3 Ų135.392%0.91682%0.823SS**  trans-92.2164.9179-62.3148.4000109.7
499G31.3Very low34.2Very low60 Ų60131.5 Ų131.562%0.61982%0.822SS**  cis166.1-163.32.200000109.5
500V32.4Very low34.3Very low153 Ų153128 Ų12893%0.92782%0.818SS**  trans72.4155.8169.4-168.40000115.8
501A32.3Very low34.5Very low89 Ų89133.4 Ų133.474%0.73683%0.826SS**  -167.5142.6-56.900000110.9
502G29.9Very low34.8Very low82 Ų82129.8 Ų129.885%0.84582%0.82SS**  trans72.9167.9171.600000116.2
503S32.2Very low34.7Very low124 Ų124129.3 Ų129.387%0.86782%0.823SS**  cis-159.2163.2-16.757.50000111.3
504Q37Very low34.8Very low184 Ų184123.6 Ų123.686%0.8681%0.813SS**  trans-68.9179.7164.3-85.4-174.6-26.700111.6
505P57.9Low35.2Very low127 Ų127124.1 Ų124.183%0.82581%0.81SS**  cis-134.5-167.16.443-25.2000115
506G31.2Very low35.6Very low80 Ų80127.4 Ų127.483%0.82582%0.816SS**  trans169.3140.4160.100000114.1
507G34Very low36.3Very low86 Ų86123.2 Ų123.289%0.88785%0.847SS**  trans-172.6153.217500000115.5
508G31.9Very low36.2Very low83 Ų83122.2 Ų122.286%0.85685%0.845SS**  trans91.8119.3166.100000117.3
509A33.8Very low36.2Very low97 Ų97119.4 Ų119.480%0.80284%0.842SS**  trans165.6153.4134.600000112.8
510S35Very low36.4Very low110 Ų110122.7 Ų122.777%0.76985%0.854SS**  trans35.3120.2155.8-59.30000121
511Q33.6Very low36.7Very low178 Ų178120.9 Ų120.983%0.83285%0.85SS**  88.4119.258.7-83.1-156.4-2.400116.4
512V36.5Very low36.9Very low121 Ų121122.9 Ų122.973%0.73386%0.857SS**  trans54.8106.9134.5-1700000121
513T33.2Very low37.4Very low135 Ų135125.7 Ų125.783%0.82886%0.858SS**  trans-152.3128.2134.91.90000105.7
514A39.2Very low37.8Very low78 Ų78125.8 Ų125.865%0.64586%0.857SS**  55.2123.25200000111
515H37.1Very low37.8Very low161 Ų161121.3 Ų121.375%0.74586%0.857SS**  cis-159.5-172.545.9-152.8-111.4000112.1
516M38.5Very low36.2Very low170 Ų170120.8 Ų120.884%0.83786%0.86SS**  trans-24.9150.8174.8-68.1165.3175.500119
517G50.1Low36.6Very low151 Ų151124.5 Ų124.5100%1.55786%0.863SS**  cis16202.100000112.4

Retrieved 517 of 517 residues in 86.4 ms (Link to these results)