A0A087YHW8_POEFO Loading...

Protein phosphatase 1 regulatory subunit

AlphaFold DB , UniProt , Accession A0A087YHW8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 340 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.3Very low34.7Very low250 Ų250136.9 Ų136.9100%1.23284%0.839SS**  0117.80-59.1-173.2177.600105.7
2S34.1Very low35.1Very low120 Ų120136.8 Ų136.884%0.83984%0.842SS**  cis-150.6138.934.3-1680000108.6
3A33.2Very low35.4Very low102 Ų102133.8 Ų133.884%0.84383%0.83SS**  trans-97.3114.3174.700000108.5
4A36.8Very low35.7Very low97 Ų97131.7 Ų131.780%0.80283%0.833SS**  trans-99.8108.716900000108.2
5S36.2Very low36.1Very low112 Ų112131.7 Ų131.778%0.78382%0.82SS**  trans-83.2120.4169.958.60000109.5
6V34.2Very low36.3Very low127 Ų127130.7 Ų130.777%0.7782%0.816SS**  trans-84.7116.4172.5177.80000108.2T8V6-T8 HydrophobicContact CG1-CG2 4.29Å
7L32Very low37.3Very low166 Ų166126.4 Ų126.487%0.86980%0.803SS**  trans-87.6112.8165.6-75.3169.6000108.4S9L7-S9 PolarHBondContact O-N 3.3Å
8T31.7Very low37.9Very low112 Ų112127.2 Ų127.269%0.68781%0.809SS**  trans-85.699.4170.241.10000109.5V6V6-T8 HydrophobicContact CG1-CG2 4.29Å
9S29.9Very low38.4Very low108 Ų108124.2 Ų124.276%0.75579%0.789SS**  trans-83.9113.3164.862.10000109.4L7 S11L7-S9 PolarHBondContact O-N 3.3Å; S9-S11 PolarHBondContact O-N 2.88Å
10F33.9Very low38.8Very low203 Ų203125.7 Ų125.789%0.8979%0.787SS**  trans-78.5106.4166.9-82.5-89.5000109.6
11S40.4Very low39.6Very low109 Ų109125.7 Ų125.776%0.76279%0.787SS**  trans-123.7120.6162.3-75.20000108.5S9S9-S11 PolarHBondContact O-N 2.88Å
12P39.8Very low40.3Very low135 Ų135118.3 Ų118.388%0.87775%0.752SS**  trans-97.3103.3175.734-24.5000109.6
13S39.1Very low41.3Very low98 Ų98115.7 Ų115.769%0.68573%0.731SS**  trans-161.984.3159.8165.50000108.5M15S13-M15 PolarHBondContact O-N 3.09Å
14A39.5Very low42.2Very low105 Ų105112.8 Ų112.887%0.86871%0.707SS**  trans-65.7112.8167.900000108.9
15M41.2Very low43.2Very low131 Ų131114.2 Ų114.265%0.64570%0.699SS**  trans-88.3133.2168.7-74.8-70.5-72.600109.3S13S13-M15 PolarHBondContact O-N 3.09Å
16P39.6Very low44.1Very low116 Ų116116.3 Ų116.375%0.75369%0.69SS**  trans-85.2126.3177.931.7-28.9000111.1
17G53Low45Very low57 Ų57116 Ų11659%0.58868%0.678SS**SBendtrans89.7162.5159.400000117.3V19G17-V19 PolarHBondContact O-N 2.91Å; G17-V19 VanDerWaalsContact O-N 3.15Å
18P47.6Very low46.2Very low142 Ų142117.4 Ų117.492%0.92267%0.673SS**  trans-72109.5-17428.5-31.7000110.5
19V47.6Very low47.4Very low69 Ų69117 Ų11742%0.41867%0.666SS.*  trans-92.7130.2176.8178.20000109.1G17 T21 V23G17-V19 PolarHBondContact O-N 2.91Å; G17-V19 VanDerWaalsContact O-N 3.15Å; V19-T21 PolarHBondContact O-N 3.43Å; V19-V23 HydrophobicContact CG1-CB 3.49Å; V19-V23 VanDerWaalsContact CG1-CB 3.49Å; V19-V23 HydrophobicContact CG1-CG1 3.57Å
20M48Very low48.2Very low154 Ų154115.4 Ų115.476%0.75966%0.655SS**  trans-51.7134.3173.6-65.8-76.1-79.100110.4D22 V23M20-D22 PolarHBondContact O-N 2.81Å; M20-V23 PolarHBondContact O-N 2.77Å
21T54.8Low48.9Very low127 Ų127113 Ų11378%0.77965%0.646SS**Hα-helixtrans-51.5-29.8-170.4-28.70000114.3V19 M25V19-T21 PolarHBondContact O-N 3.43Å; T21-M25 PolarHBondContact O-N 3.11Å
22D54.2Low49Very low94 Ų94111.1 Ų111.150%0.50363%0.632SS.*Hα-helixtrans-68-36.6176.8-175.110.1000112.8M20 R26M20-D22 PolarHBondContact O-N 2.81Å; D22-R26 WeakPolarHBondContact O-CG 3.44Å; D22-R26 PolarHBondContact O-N 2.83Å; D22-R26 IonicContact OD1-CZ 2.6Å; D22-R26 IonicContact OD1-NE 2.85Å; D22-R26 PolarHBondContact OD1-NE 3.17Å; D22-R26 IonicContact OD1-NH2 3.73Å; D22-R26 PolarHBondContact OD1-NH2 3.44Å; D22-R26 IonicContact OD2-CZ 2.71Å; D22-R26 IonicContact OD2-NH2 3.99Å; D22-R26 PolarHBondContact OD2-NH2 2.87Å
23V54Low49.4Very low65 Ų65109.8 Ų109.839%0.39462%0.624SS.*Hα-helixtrans-75.2-37.9-179.9174.30000111.1V19 M20 M25 R26 F27V19-V23 HydrophobicContact CG1-CB 3.49Å; V19-V23 VanDerWaalsContact CG1-CB 3.49Å; V19-V23 HydrophobicContact CG1-CG1 3.57Å; M20-V23 PolarHBondContact O-N 2.77Å; V23-M25 VanDerWaalsContact C-N 3.34Å; V23-M25 PolarHBondContact O-N 2.99Å; V23-R26 PolarHBondContact O-N 2.78Å; V23-F27 HydrophobicContact CG1-CD2 4.23Å; V23-F27 HydrophobicContact CG1-CE2 4.05Å; V23-F27 WeakPolarHBondContact O-CD2 3.27Å; V23-F27 PolarHBondContact O-N 2.71Å
24A52.4Low50Low41 Ų41111 Ų11134%0.33963%0.629SS.*Hα-helixtrans-63.3-39.7175.200000111.9R26 F27 Y28A24-R26 VanDerWaalsContact C-N 3.33Å; A24-R26 PolarHBondContact O-N 2.62Å; A24-F27 PolarHBondContact O-N 2.94Å; A24-Y28 WeakPolarHBondContact O-CD2 2.99Å; A24-Y28 PolarHBondContact O-N 2.86Å
25M57.7Low50.4Low128 Ų128111.1 Ų111.163%0.63162%0.621SS**Hα-helixtrans-65.6-34178.5-174.8156.5-94.100112.7T21 V23 Y28 I29T21-M25 PolarHBondContact O-N 3.11Å; V23-M25 VanDerWaalsContact C-N 3.34Å; V23-M25 PolarHBondContact O-N 2.99Å; M25-Y28 PolarHBondContact O-N 2.78Å; M25-I29 HydrophobicContact CG-CD1 3.87Å; M25-I29 WeakPolarHBondContact O-CD1 3.38Å; M25-I29 VanDerWaalsContact O-CG1 3.26Å; M25-I29 WeakPolarHBondContact O-CG1 3.34Å; M25-I29 PolarHBondContact O-N 2.93Å
26R55.5Low50.8Low156 Ų156110.4 Ų110.459%0.58962%0.62SS**Hα-helixtrans-67.8-35.9177.3-69.1175.2-165.9-154.26.3113.3D22 V23 A24 I29 S30D22-R26 WeakPolarHBondContact O-CG 3.44Å; D22-R26 PolarHBondContact O-N 2.83Å; D22-R26 IonicContact OD1-CZ 2.6Å; D22-R26 IonicContact OD1-NE 2.85Å; D22-R26 PolarHBondContact OD1-NE 3.17Å; D22-R26 IonicContact OD1-NH2 3.73Å; D22-R26 PolarHBondContact OD1-NH2 3.44Å; D22-R26 IonicContact OD2-CZ 2.71Å; D22-R26 IonicContact OD2-NH2 3.99Å; D22-R26 PolarHBondContact OD2-NH2 2.87Å; V23-R26 PolarHBondContact O-N 2.78Å; A24-R26 VanDerWaalsContact C-N 3.33Å; A24-R26 PolarHBondContact O-N 2.62Å; R26-I29 PolarHBondContact O-N 2.77Å; R26-S30 PolarHBondContact O-N 2.89Å; R26-S30 PolarHBondContact O-OG 3.34Å
27F54.1Low51.1Low120 Ų120116.5 Ų116.553%0.52663%0.628SS.*Hα-helixtrans-69.9-35.9175.6-84.2-75.7000112.6V23 A24 I29 S30 H31V23-F27 HydrophobicContact CG1-CD2 4.23Å; V23-F27 HydrophobicContact CG1-CE2 4.05Å; V23-F27 WeakPolarHBondContact O-CD2 3.27Å; V23-F27 PolarHBondContact O-N 2.71Å; A24-F27 PolarHBondContact O-N 2.94Å; F27-I29 VanDerWaalsContact C-N 3.31Å; F27-I29 PolarHBondContact O-N 3.29Å; F27-S30 PolarHBondContact O-N 2.6Å; F27-S30 PolarHBondContact O-OG 3.46Å; F27-H31 PolarHBondContact O-CD2 2.79Å; F27-H31 VanDerWaalsContact O-CD2 3.29Å
28Y57Low50.7Low196 Ų196118.2 Ų118.277%0.76963%0.63SS**Hα-helixtrans-68.5-30.3175.8-89.6-84.3000112.9A24 M25A24-Y28 WeakPolarHBondContact O-CD2 2.99Å; A24-Y28 PolarHBondContact O-N 2.86Å; M25-Y28 PolarHBondContact O-N 2.78Å
29I56.3Low50.7Low103 Ų103119.4 Ų119.453%0.52862%0.621SS.*Hα-helixtrans-80.1-24.5179-62.2164.1000111.8M25 R26 F27M25-I29 HydrophobicContact CG-CD1 3.87Å; M25-I29 WeakPolarHBondContact O-CD1 3.38Å; M25-I29 VanDerWaalsContact O-CG1 3.26Å; M25-I29 WeakPolarHBondContact O-CG1 3.34Å; M25-I29 PolarHBondContact O-N 2.93Å; R26-I29 PolarHBondContact O-N 2.77Å; F27-I29 VanDerWaalsContact C-N 3.31Å; F27-I29 PolarHBondContact O-N 3.29Å
30S47.6Very low50.6Low75 Ų75121.9 Ų121.952%0.52463%0.631SS.*Hα-helixtrans-80.2-12.5-179.358.10000114.8R26 F27R26-S30 PolarHBondContact O-N 2.89Å; R26-S30 PolarHBondContact O-OG 3.34Å; F27-S30 PolarHBondContact O-N 2.6Å; F27-S30 PolarHBondContact O-OG 3.46Å
31H47Very low50.4Low153 Ų153119 Ų11971%0.70863%0.626SS**THydrogen-bonded Turntrans-112.612.3-177.2-68-65.4000114.5F27F27-H31 PolarHBondContact O-CD2 2.79Å; F27-H31 VanDerWaalsContact O-CD2 3.29Å
32S42.9Very low50Low68 Ų68117.5 Ų117.548%0.47662%0.62SS.*SBendtrans-88134.4170.5109.90000111.2
33P47.3Very low49.5Very low108 Ų108122.4 Ų122.470%0.70163%0.633SS**PPolyproline II helixtrans-63156.6165.317.9-18.1000110.8
34P52.6Low49.3Very low122 Ų122122 Ų12279%0.79264%0.642SS**SBendtrans-69.9137.1-170.730.2-32.7000110.6
35P48.7Very low49Very low108 Ų108125.6 Ų125.670%0.70166%0.656SS**SBend-144.13976.840.3-23000115.2
36L48.2Very low48.4Very low117 Ų117125.8 Ų125.861%0.61366%0.659SS**  trans-107.78.6-175.1-63.6179.5000115.8S38L36-S38 VanDerWaalsContact C-N 3.28Å; L36-S38 PolarHBondContact O-N 2.82Å
37R46.8Very low47.9Very low244 Ų244125 Ų12592%0.92166%0.661SS**THydrogen-bonded Turntrans-76.4-5.3-177.8-140-173.8-172.7-157.23.3115
38S44.8Very low47.5Very low92 Ų92129.4 Ų129.464%0.64368%0.675SS**THydrogen-bonded Turntrans-91.2-4.7179.284.80000115.1L36L36-S38 VanDerWaalsContact C-N 3.28Å; L36-S38 PolarHBondContact O-N 2.82Å
39F47.6Very low46.9Very low168 Ų168123.8 Ų123.874%0.73767%0.669SS**SBendtrans-106.8-5.5-170.9-72.8-75.2000116.2
40I45.9Very low46.4Very low121 Ų121127.1 Ų127.162%0.62168%0.679SS**SBendtrans-120.4-3.7-174.8-51176.1000113.4S42I40-S42 PolarHBondContact O-N 3.22Å
41S43.7Very low46.2Very low93 Ų93130.7 Ų130.765%0.6569%0.693SS**THydrogen-bonded Turntrans-70-2-178.7-157.30000115.2
42S45Very low46.1Very low95 Ų95134.7 Ų134.766%0.66470%0.702SS**THydrogen-bonded Turntrans-95-8.3-175.3-173.60000115.4I40I40-S42 PolarHBondContact O-N 3.22Å
43Y43.8Very low45.7Very low197 Ų197135.6 Ų135.677%0.77371%0.713SS**SBendtrans-95.4-25.6-175.4-114.8-95.4000114.3
44G50.2Low45.2Very low56 Ų56138.2 Ų138.258%0.57772%0.721SS**Hα-helixtrans-72.6-32.9-179.700000114
45D46.6Very low44.5Very low117 Ų117141.7 Ų141.763%0.62673%0.727SS**Hα-helixtrans-80.1-20.5-175.5-69.6-32.8000113.4
46L45.7Very low44.1Very low132 Ų132142 Ų14269%0.69173%0.729SS**Hα-helixtrans-74.9-29178.9-134.693.2000113
47Q44.7Very low43.4Very low139 Ų139141.9 Ų141.965%0.6574%0.738SS**Hα-helixtrans-79.9-30179.8-73.6-72.1-14.100112.2A49Q47-A49 VanDerWaalsContact C-N 3.32Å; Q47-A49 PolarHBondContact O-N 3Å
48R45.5Very low42.7Very low214 Ų214134.1 Ų134.181%0.80873%0.726SS**Hα-helixtrans-75-22.1178.6-170.9172.2-89.2-163.2-4.4112.8
49A44.7Very low42.3Very low78 Ų78141.3 Ų141.365%0.64574%0.739SS**THydrogen-bonded Turntrans-78.9-11.1178.200000114.8Q47Q47-A49 VanDerWaalsContact C-N 3.32Å; Q47-A49 PolarHBondContact O-N 3Å
50K44.8Very low41.6Very low172 Ų172138.5 Ų138.575%0.74874%0.74SS**THydrogen-bonded Turntrans-88.3-14-178-113.2177.3178.2177.60115.3
51N43.3Very low41Very low150 Ų150143.5 Ų143.580%0.80275%0.751SS**SBendtrans-107.715.7-174.5-72.1-9.1000114.9
52R45Very low41Very low238 Ų238144.3 Ų144.390%0.89876%0.757SS**  trans-136.875.1172.8-86.3-174.5168.3-177.2-3.5111.2
53A35.6Very low40.9Very low87 Ų87148.4 Ų148.472%0.71977%0.765SS**  trans-139.47416600000109.4
54N36.8Very low41.1Very low162 Ų162147.2 Ų147.287%0.86677%0.767SS**  trans-156.180.3159.1-97.1-15.8000108.3
55Q38Very low40.6Very low195 Ų195152.4 Ų152.491%0.91178%0.781SS**  trans171.2151.8132-94.2-154.913.800111.9
56P40.2Very low40.3Very low115 Ų115156.9 Ų156.975%0.74779%0.79SS**  trans-100.3147.1-171.737.6-29.1000112.5
57S32.3Very low40.2Very low115 Ų115159.5 Ų159.580%0.80480%0.796SS**  trans168.1118.4131.2-174.20000112.2
58A33.3Very low40.3Very low80 Ų80158.9 Ų158.966%0.66180%0.804SS**  trans28.3113.614100000121
59R35.3Very low40.4Very low243 Ų243157 Ų15792%0.91781%0.809SS**  162.3121.899.3-87-177.9178.1172.9-0.4111.7
60S33.8Very low40.7Very low110 Ų110164.3 Ų164.377%0.76982%0.82SS**  trans49.1106.9144.7-166.30000120.8
61R33.4Very low40.8Very low225 Ų225161.8 Ų161.885%0.84982%0.821SS**  179.1120.5107.9-117.3174-175.9169.11.4111.9
62S43.9Very low40.9Very low110 Ų110161 Ų16177%0.76983%0.826SS**  trans3490.4150.861.90000119.2
63Q41.7Very low40.8Very low181 Ų181157.2 Ų157.285%0.84682%0.822SS**  trans-139.5129.9145.4-73.8-169.2-21.200109.2L65Q63-L65 PolarHBondContact O-N 3.28Å
64Q47.3Very low41.1Very low172 Ų172158.4 Ų158.480%0.80483%0.826SS**  trans-60.8105.8-177.3-70.1-158.6-23.900110.9Y66Q64-Y66 PolarHBondContact O-N 3.3Å
65L40.9Very low41.3Very low165 Ų165156 Ų15686%0.86482%0.822SS**  trans-79.2108.1166.6-86119.4000108.7Q63 K67Q63-L65 PolarHBondContact O-N 3.28Å; L65-K67 PolarHBondContact O-N 2.94Å; L65-K67 VanDerWaalsContact O-N 3.13Å
66Y40.9Very low41.3Very low212 Ų212155.3 Ų155.383%0.83182%0.818SS**PPolyproline II helixtrans-52.5118.2164-68.1-84000108.9Q64Q64-Y66 PolarHBondContact O-N 3.3Å
67K43.8Very low41.2Very low187 Ų187160.6 Ų160.681%0.81382%0.823SS**PPolyproline II helixtrans-63.5132.9174.1-70.4176.1179.2176.40108.4L65 L69L65-K67 PolarHBondContact O-N 2.94Å; L65-K67 VanDerWaalsContact O-N 3.13Å; K67-L69 PolarHBondContact O-N 3.07Å
68P44.8Very low41.3Very low125 Ų125166.8 Ų166.881%0.81283%0.829SS**PPolyproline II helixtrans-61.4125.8172.224.8-31.1000108.9R70P68-R70 PolarHBondContact O-N 2.83Å
69L48.4Very low41.6Very low174 Ų174170 Ų17091%0.91184%0.835SS**PPolyproline II helixtrans-63.4132.3178.7-70168.2000109.3K67K67-L69 PolarHBondContact O-N 3.07Å
70R50.3Low41.7Very low233 Ų233165.8 Ų165.888%0.87983%0.831SS**PPolyproline II helixtrans-61.9144.1-177.2-70.6-164.2-106.8-170.6-3.9111.2P68 C72P68-R70 PolarHBondContact O-N 2.83Å; R70-C72 PolarHBondContact O-N 2.86Å
71P48.3Very low41.7Very low118 Ų118164 Ų16477%0.76683%0.83SS**PPolyproline II helixtrans-61.4124.6173.8-18.630.6000111L73P71-L73 PolarHBondContact O-N 3.27Å
72C45.7Very low41.7Very low133 Ų133158.7 Ų158.790%0.89983%0.834SS**  trans-79.950.7-179.250.70000113.1R70R70-C72 PolarHBondContact O-N 2.86Å
73L41.7Very low41.5Very low159 Ų159162 Ų16283%0.83284%0.837SS**  trans-98.7101.9168.5-75.7166.9000108.9P71 S75P71-L73 PolarHBondContact O-N 3.27Å; L73-S75 PolarHBondContact O-N 2.98Å
74S42.2Very low41.3Very low113 Ų113159.1 Ų159.179%0.7983%0.832SS**  trans-67.394.6173.360.50000110.2Q76S74-Q76 PolarHBondContact O-N 3.41Å
75S41.3Very low40.8Very low112 Ų112155.5 Ų155.578%0.78383%0.831SS**  trans-78.791.8160.9-175.90000107.8L73 R77L73-S75 PolarHBondContact O-N 2.98Å; S75-R77 PolarHBondContact O-N 2.78Å
76Q38.3Very low40.7Very low179 Ų179159.2 Ų159.284%0.83683%0.834SS**  trans-84.488.9172.3-166.2167-12.100108.4S74S74-Q76 PolarHBondContact O-N 3.41Å
77R38.5Very low40.9Very low226 Ų226153.2 Ų153.285%0.85383%0.828SS**  trans-72.5127.4150.4-82.5-172169.7-168.9-3107.6S75S75-R77 PolarHBondContact O-N 2.78Å
78R33.8Very low41.1Very low246 Ų246153.3 Ų153.393%0.92883%0.828SS**  trans-160.9140.6132.1-105.7-160-78.5-138.25.8111.4
79D39.3Very low41.7Very low146 Ų146157 Ų15778%0.78183%0.832SS**  trans-92.7158.9-174.7-157.85.3000110.7
80D37.1Very low42.5Very low155 Ų155157.7 Ų157.783%0.82983%0.827SS**  trans66.1127.2164-92.8-26.4000123.8
81G34.4Very low43.1Very low73 Ų73152.4 Ų152.475%0.75382%0.823SS**  trans120.7103.3138.500000118.7
82A34.1Very low43.9Very low114 Ų114155.4 Ų155.494%0.94283%0.829SS**  trans91129.4154.300000119.9
83H38.9Very low45.3Very low180 Ų180158.6 Ų158.683%0.83383%0.828SS**  trans-94.1164-168-175.1-107.5000112.2
84V37.9Very low46.9Very low120 Ų120161.2 Ų161.273%0.72783%0.833SS**  trans86.496.8168.1-158.40000117.5
85A35.7Very low48.4Very low95 Ų95160.7 Ų160.779%0.78583%0.829SS**  167.4123.6109.900000110.4A87A85-A87 PolarHBondContact O-N 2.92Å
86W39.1Very low49.7Very low243 Ų243161.1 Ų161.192%0.9283%0.826SS**  trans-76.498.7-172.7-148.5-41.2000111
87A45.6Very low51.3Low86 Ų86157.9 Ų157.971%0.71182%0.819SS**  trans-116.6113.1160.900000108.9A85 K89A85-A87 PolarHBondContact O-N 2.92Å; A87-K89 PolarHBondContact O-N 3.23Å
88K47.4Very low52.9Low190 Ų190154.3 Ų154.383%0.82681%0.81SS**  trans-59.994.7180-65.8179.1179.2177.10110.2K90K88-K90 PolarHBondContact O-N 3.39Å
89K56.8Low55.2Low203 Ų203145.1 Ų145.188%0.88379%0.786SS**  trans-67.6115.7167.5-72.6-175.3179.2177.90108A87A87-K89 PolarHBondContact O-N 3.23Å
90K65.3Low56.9Low187 Ų187141 Ų14181%0.81376%0.764SS**PPolyproline II helixtrans-54137.5171.7-70.1178.3177.6176.80108.7K88 M92K88-K90 PolarHBondContact O-N 3.39Å; K90-M92 PolarHBondContact O-N 2.99Å
91P63.2Low58.6Low123 Ų123141 Ų14180%0.79977%0.77SS**PPolyproline II helixtrans-60.7116.9175.224.9-31.9000108.4K93P91-K93 PolarHBondContact O-N 2.62Å; P91-K93 VanDerWaalsContact O-N 3.14Å
92M65.4Low60.5Low181 Ų181146.1 Ų146.189%0.89277%0.771SS**PPolyproline II helixtrans-63.6116.5170.2-70.8-164.1164.900107.3K90 K94K90-M92 PolarHBondContact O-N 2.99Å; M92-K94 PolarHBondContact O-N 2.89Å; M92-K94 VanDerWaalsContact O-N 3.16Å
93K74.8Confident62.1Low199 Ų199143.3 Ų143.387%0.86575%0.754SS**PPolyproline II helixtrans-62.7118172.6-70.2-179.5179.3-178.80106.9P91 S95P91-K93 PolarHBondContact O-N 2.62Å; P91-K93 VanDerWaalsContact O-N 3.14Å; K93-S95 PolarHBondContact O-N 3.35Å; K93-S95 VanDerWaalsContact O-N 3.17Å
94K76.3Confident63.7Low215 Ų215140.1 Ų140.194%0.93574%0.742SS**  trans-64.5114.3171.8-63.1178.5-179.7179.30107.2M92M92-K94 PolarHBondContact O-N 2.89Å; M92-K94 VanDerWaalsContact O-N 3.16Å
95S72.3Confident65.3Low102 Ų102137.8 Ų137.871%0.71373%0.731SS**  trans-103.3135.3173.2620000109.8K93K93-S95 PolarHBondContact O-N 3.35Å; K93-S95 VanDerWaalsContact O-N 3.17Å
96V70.4Confident66.7Low120 Ų120138.6 Ų138.673%0.72772%0.722SS**  trans-102.8127.7169.1178.90000106.9F98V96-F98 HydrophobicContact CG1-CZ 4.35Å
97V70.6Confident67.7Low112 Ų112131.5 Ų131.568%0.67971%0.706SS**  trans-117135.9174.3-176.70000107.6
98F73.6Confident68.4Low151 Ų151131.6 Ų131.666%0.66271%0.706SS**  trans-94.2132178.1-60.3-88.6000109.6V96 L106V96-F98 HydrophobicContact CG1-CZ 4.35Å; F98-L106 HydrophobicContact CB-CD1 3.71Å; F98-L106 PolarHBondContact O-N 2.9Å
99A81.7Confident69.2Low53 Ų53129.2 Ų129.244%0.43870%0.701SS.*BIsolated β-bridgetrans-127.6155.5178.400000110.9L104A99-L104 CarbonylContact C-O 3.5Å; A99-L104 WeakPolarHBondContact CA-O 3.3Å; A99-L104 VanDerWaalsContact CB-O 3.32Å; A99-L104 WeakPolarHBondContact CB-O 3.49Å
100D74.7Confident69.3Low60 Ų60126.3 Ų126.332%0.32169%0.69SS.*  trans-72.7179.7176.377.6-2.8000112.1K102 G103 L104 L106D100-K102 PolarHBondContact O-N 2.91Å; D100-K102 VanDerWaalsContact O-N 3.07Å; D100-K102 VanDerWaalsContact OD1-C 3.27Å; D100-K102 VanDerWaalsContact OD1-CA 3.29Å; D100-K102 WeakPolarHBondContact OD1-CA 3.41Å; D100-K102 WeakPolarHBondContact OD1-CB 3.36Å; D100-K102 PolarHBondContact OD1-N 2.82Å; D100-G103 PolarHBondContact O-N 3.2Å; D100-G103 PolarHBondContact OD1-N 3.38Å; D100-L104 PolarHBondContact N-O 3.2Å; D100-L104 PolarHBondContact OD1-N 3.24Å; D100-L106 HydrophobicContact CB-CD2 4.29Å
101T73.1Confident69Low153 Ų153123.6 Ų123.694%0.93969%0.689SS**THydrogen-bonded Turntrans-63.5-11.4178.636.40000114.2
102K73.6Confident68.4Low181 Ų181126.3 Ų126.379%0.78769%0.689SS**THydrogen-bonded Turntrans-102.61.1174.4-61.7-176.9-179.9178.50112.7D100D100-K102 PolarHBondContact O-N 2.91Å; D100-K102 VanDerWaalsContact O-N 3.07Å; D100-K102 VanDerWaalsContact OD1-C 3.27Å; D100-K102 VanDerWaalsContact OD1-CA 3.29Å; D100-K102 WeakPolarHBondContact OD1-CA 3.41Å; D100-K102 WeakPolarHBondContact OD1-CB 3.36Å; D100-K102 PolarHBondContact OD1-N 2.82Å
103G68.3Low68.2Low56 Ų56122 Ų12258%0.57768%0.676SS**SBendtrans83.912178.300000114.8D100D100-G103 PolarHBondContact O-N 3.2Å; D100-G103 PolarHBondContact OD1-N 3.38Å
104L71.4Confident67.1Low112 Ų112122 Ų12259%0.58668%0.677SS**  trans-90.6149.3177.7-61.2175.6000111A99 D100 L106A99-L104 CarbonylContact C-O 3.5Å; A99-L104 WeakPolarHBondContact CA-O 3.3Å; A99-L104 VanDerWaalsContact CB-O 3.32Å; A99-L104 WeakPolarHBondContact CB-O 3.49Å; D100-L104 PolarHBondContact N-O 3.2Å; D100-L104 PolarHBondContact OD1-N 3.24Å; L104-L106 PolarHBondContact O-N 2.85Å
105S72.9Confident65.8Low71 Ų71120.3 Ų120.350%0.49767%0.669SS.*BIsolated β-bridgetrans-58.5133.5178.6-174.40000111.1T107S105-T107 PolarHBondContact O-N 3.32Å; S105-T107 VanDerWaalsContact O-N 3.12Å; S105-T107 PolarHBondContact OG-OG1 2.93Å
106L65.1Low64.7Low113 Ų113122.5 Ų122.559%0.59267%0.673SS**SBendtrans-67.1-7.3178.6-84.5158.4000114.3F98 D100 L104F98-L106 HydrophobicContact CB-CD1 3.71Å; F98-L106 PolarHBondContact O-N 2.9Å; D100-L106 HydrophobicContact CB-CD2 4.29Å; L104-L106 PolarHBondContact O-N 2.85Å
107T59.1Low63.9Low94 Ų94124.7 Ų124.758%0.57768%0.681SS**  trans-115.6110.8178.147.70000110.1S105 I109S105-T107 PolarHBondContact O-N 3.32Å; S105-T107 VanDerWaalsContact O-N 3.12Å; S105-T107 PolarHBondContact OG-OG1 2.93Å; T107-I109 PolarHBondContact O-N 2.83Å
108A61.3Low63Low88 Ų88126.5 Ų126.573%0.72768%0.682SS**  trans-81.6105.8164.900000108.5H110A108-H110 PolarHBondContact O-N 2.81Å
109I63Low61.6Low139 Ų139124 Ų12471%0.71368%0.681SS**  trans-86.999.2172.3-58175.2000107.2T107 V111T107-I109 PolarHBondContact O-N 2.83Å; I109-V111 HydrophobicContact CG2-CG2 3.98Å; I109-V111 PolarHBondContact O-N 3.45Å
110H59.6Low60Low143 Ų143132.7 Ų132.766%0.66270%0.704SS**  trans-83.2108.6165.1-8591000108.7A108 F112A108-H110 PolarHBondContact O-N 2.81Å; H110-F112 HydrophobicContact CB-CD2 4.1Å; H110-F112 HydrophobicContact CB-CE2 3.55Å; H110-F112 HydrophobicContact CB-CZ 4.06Å; H110-F112 PolarHBondContact O-N 2.88Å
111V59.7Low58.8Low129 Ų129137.4 Ų137.478%0.78272%0.724SS**  trans-80.596.7173.3-177.70000107.6I109 S113I109-V111 HydrophobicContact CG2-CG2 3.98Å; I109-V111 PolarHBondContact O-N 3.45Å; V111-S113 PolarHBondContact O-N 2.97Å
112F50.1Low57.8Low180 Ų180137.6 Ų137.679%0.78972%0.719SS**  trans-80.3109.4168.1-66.8-82000108.6H110H110-F112 HydrophobicContact CB-CD2 4.1Å; H110-F112 HydrophobicContact CB-CE2 3.55Å; H110-F112 HydrophobicContact CB-CZ 4.06Å; H110-F112 PolarHBondContact O-N 2.88Å
113S61Low56.3Low91 Ų91137.8 Ų137.864%0.63672%0.72SS**  trans-75.3131.1168-169.90000108.7V111 F115V111-S113 PolarHBondContact O-N 2.97Å; S113-F115 PolarHBondContact O-N 2.91Å
114K51.3Low55.4Low200 Ų200140.2 Ų140.287%0.8774%0.735SS**SBendtrans-74.833.7179.7-97.3-168.9176.6-174.60113.9
115F48.9Very low54.1Low178 Ų178139 Ų13978%0.78173%0.732SS**  trans-133.949.7-178.2-79.2-80.3000111.5S113S113-F115 PolarHBondContact O-N 2.91Å
116D50.4Low52.9Low148 Ų148143.8 Ų143.879%0.79175%0.752SS**  trans-132.830.5165.6-123.63000111.8E118D116-E118 PolarHBondContact O-N 3Å
117D51.7Low52.3Low167 Ų167140.1 Ų140.189%0.89374%0.742SS**  trans-87.960.4154.4-74.3-36.5000108.1
118E52.5Low51.9Low149 Ų149140.7 Ų140.770%0.69674%0.74SS**  trans-94.2122.7166.5-83.9-68.4154.300108.3D116 Y120D116-E118 PolarHBondContact O-N 3Å; E118-Y120 PolarHBondContact O-N 3.24Å
119P44.5Very low51.5Low99 Ų99139 Ų13964%0.64373%0.726SS**  trans-62.7129.3177.626.3-32.1000109.1Q121P119-Q121 VanDerWaalsContact C-N 3.29Å; P119-Q121 PolarHBondContact O-N 3.1Å
120Y48.6Very low51Low236 Ų236139.2 Ų139.293%0.92572%0.724SS**  trans-50.589.9174.3-77-98.8000111.2E118E118-Y120 PolarHBondContact O-N 3.24Å
121Q49Very low50.6Low159 Ų159139.8 Ų139.874%0.74373%0.727SS**  trans-104.296.3163.8-79.2-84.9-34.200106.1P119 K123P119-Q121 VanDerWaalsContact C-N 3.29Å; P119-Q121 PolarHBondContact O-N 3.1Å; Q121-K123 PolarHBondContact O-N 2.92Å
122N52.2Low50.2Low157 Ų157138.6 Ų138.684%0.8472%0.716SS**  trans13.779.3152.4-59.5-27000115
123K42.8Very low50.6Low184 Ų184135.9 Ų135.980%0.871%0.706SS**  trans-96.6109.9153.4-78.5-172.4177.7174.30107.2Q121 V125Q121-K123 PolarHBondContact O-N 2.92Å; K123-V125 VanDerWaalsContact C-N 3.28Å; K123-V125 HydrophobicContact CB-CG2 4.31Å; K123-V125 PolarHBondContact O-N 2.96Å
124A48.8Very low50.2Low107 Ų107138.1 Ų138.188%0.88470%0.704SS**  trans-60.596.3162.700000107.7
125V43.3Very low51Low86 Ų86134.6 Ų134.652%0.52169%0.691SS.*  trans-107107.7164.7178.90000105.2K123 G127 I128K123-V125 VanDerWaalsContact C-N 3.28Å; K123-V125 HydrophobicContact CB-CG2 4.31Å; K123-V125 PolarHBondContact O-N 2.96Å; V125-G127 PolarHBondContact O-N 2.84Å; V125-I128 HydrophobicContact CB-CD1 3.93Å; V125-I128 HydrophobicContact CB-CG1 3.98Å; V125-I128 HydrophobicContact CG1-CD1 4.4Å; V125-I128 HydrophobicContact CG1-CG1 4.22Å; V125-I128 WeakPolarHBondContact O-CG1 3.39Å; V125-I128 PolarHBondContact O-N 2.93Å
126D48.6Very low52Low172 Ų172131.6 Ų131.692%0.9268%0.681SS**THydrogen-bonded Turntrans-69.145.9-165.9-138.318.2000113.6
127G52.2Low53.2Low37 Ų37127.3 Ų127.338%0.38166%0.662SS.*THydrogen-bonded Turntrans-172-13.7-178.500000116.8V125V125-G127 PolarHBondContact O-N 2.84Å
128I50.9Low54.3Low105 Ų105123.1 Ų123.154%0.53864%0.64SS.*Hα-helixtrans-88.9-21.7174.840170.9000113V125 L132V125-I128 HydrophobicContact CB-CD1 3.93Å; V125-I128 HydrophobicContact CB-CG1 3.98Å; V125-I128 HydrophobicContact CG1-CD1 4.4Å; V125-I128 HydrophobicContact CG1-CG1 4.22Å; V125-I128 WeakPolarHBondContact O-CG1 3.39Å; V125-I128 PolarHBondContact O-N 2.93Å; I128-L132 WeakPolarHBondContact O-CB 3.42Å; I128-L132 WeakPolarHBondContact O-CG 3.38Å; I128-L132 PolarHBondContact O-N 2.87Å
129A51.6Low55.5Low54 Ų54120.6 Ų120.645%0.44663%0.631SS.*Hα-helixtrans-69-35.6175.200000111.7Q133A129-Q133 WeakPolarHBondContact O-CB 3.22Å; A129-Q133 WeakPolarHBondContact O-CG 3.24Å; A129-Q133 PolarHBondContact O-N 2.78Å
130E52.6Low57Low142 Ų142121 Ų12166%0.66462%0.624SS**Hα-helixtrans-71.3-39-179-61.8-173.2166.300112Q133 F134E130-Q133 PolarHBondContact O-N 3.34Å; E130-F134 PolarHBondContact O-N 3.11Å; E130-F134 VanDerWaalsContact O-N 3.09Å
131E52.6Low58.2Low155 Ų155114.1 Ų114.172%0.72460%0.603SS**Hα-helixtrans-72.8-38.6179.1-167.5131.9-160.100112.3F134 E135E131-F134 PolarHBondContact O-N 3.45Å; E131-E135 PolarHBondContact O-N 2.96Å
132L50.9Low59.4Low104 Ų104108.7 Ų108.755%0.54559%0.586SS.*Hα-helixtrans-72.5-30.1173.1-71.6170.1000113I128 F134 E135 M136I128-L132 WeakPolarHBondContact O-CB 3.42Å; I128-L132 WeakPolarHBondContact O-CG 3.38Å; I128-L132 PolarHBondContact O-N 2.87Å; L132-F134 VanDerWaalsContact C-N 3.34Å; L132-E135 PolarHBondContact O-N 2.86Å; L132-M136 WeakPolarHBondContact O-CG 3.35Å; L132-M136 PolarHBondContact O-N 3.15Å
133Q57.7Low60.3Low123 Ų123103.7 Ų103.758%0.57556%0.561SS**Hα-helixtrans-67.2-36.6172.8-82.8169.95.400111.8A129 E130 S137A129-Q133 WeakPolarHBondContact O-CB 3.22Å; A129-Q133 WeakPolarHBondContact O-CG 3.24Å; A129-Q133 PolarHBondContact O-N 2.78Å; E130-Q133 PolarHBondContact O-N 3.34Å; Q133-S137 WeakPolarHBondContact O-CB 3.23Å; Q133-S137 PolarHBondContact O-N 2.94Å; Q133-S137 PolarHBondContact O-OG 2.92Å
134F53.9Low61.5Low138 Ų13898.5 Ų98.561%0.60554%0.54SS*.Hα-helixtrans-64.1-45.9174.2-167.2-97.7000111.1E130 E131 L132 M136 S137 D138E130-F134 PolarHBondContact O-N 3.11Å; E130-F134 VanDerWaalsContact O-N 3.09Å; E131-F134 PolarHBondContact O-N 3.45Å; L132-F134 VanDerWaalsContact C-N 3.34Å; F134-M136 PolarHBondContact O-N 3.15Å; F134-S137 PolarHBondContact O-N 2.95Å; F134-D138 WeakPolarHBondContact CE1-OD2 3.48Å; F134-D138 PolarHBondContact O-N 3.34Å
135E67.6Low62.3Low126 Ų12698.5 Ų98.559%0.58953%0.525SS*.Hα-helixtrans-65.1-38.2178.9-165.6176.8-169.900113E131 L132 L139E131-E135 PolarHBondContact O-N 2.96Å; L132-E135 PolarHBondContact O-N 2.86Å; E135-L139 VanDerWaalsContact O-CB 3.3Å; E135-L139 WeakPolarHBondContact O-CB 3.39Å; E135-L139 PolarHBondContact O-N 3.49Å
136M69.1Low63.3Low115 Ų115100.3 Ų100.357%0.56753%0.531SS*.Hα-helixtrans-68.7-37.1175-75.5-78.794.600113.1L132 F134 L139 E140L132-M136 WeakPolarHBondContact O-CG 3.35Å; L132-M136 PolarHBondContact O-N 3.15Å; F134-M136 PolarHBondContact O-N 3.15Å; M136-L139 HydrophobicContact CE-CD2 3.73Å; M136-E140 VanDerWaalsContact O-CB 3.31Å; M136-E140 WeakPolarHBondContact O-CB 3.42Å; M136-E140 PolarHBondContact O-N 3.13Å
137S75.8Confident63.9Low59 Ų5998.2 Ų98.241%0.41351%0.514SS..Hα-helixtrans-70.4-41.2178.4-55.70000111.6Q133 F134 E140 N141Q133-S137 WeakPolarHBondContact O-CB 3.23Å; Q133-S137 PolarHBondContact O-N 2.94Å; Q133-S137 PolarHBondContact O-OG 2.92Å; F134-S137 PolarHBondContact O-N 2.95Å; S137-E140 PolarHBondContact O-N 2.85Å; S137-N141 WeakPolarHBondContact O-CB 3.2Å; S137-N141 PolarHBondContact O-N 2.9Å; S137-N141 PolarHBondContact O-OD1 3.47Å
138D76.1Confident64.3Low78 Ų7899.4 Ų99.442%0.41751%0.511SS..Hα-helixtrans-65.9-39.3175.7-78.4-10.6000111.7F134 A142F134-D138 WeakPolarHBondContact CE1-OD2 3.48Å; F134-D138 PolarHBondContact O-N 3.34Å; D138-A142 VanDerWaalsContact O-CB 3.25Å; D138-A142 WeakPolarHBondContact O-CB 2.98Å; D138-A142 PolarHBondContact O-N 3.38Å
139L75.9Confident64.8Low96 Ų9698.2 Ų98.250%0.50351%0.512SS..Hα-helixtrans-67.1-41.3173.9-172.764.6000111.4E135 M136 A142 T143E135-L139 VanDerWaalsContact O-CB 3.3Å; E135-L139 WeakPolarHBondContact O-CB 3.39Å; E135-L139 PolarHBondContact O-N 3.49Å; M136-L139 HydrophobicContact CE-CD2 3.73Å; L139-A142 PolarHBondContact O-N 2.93Å; L139-T143 HydrophobicContact CD1-CG2 4.46Å; L139-T143 HydrophobicContact CG-CG2 4.47Å; L139-T143 WeakPolarHBondContact O-CB 3.37Å; L139-T143 WeakPolarHBondContact O-CG2 3.44Å; L139-T143 PolarHBondContact O-N 3.23Å; L139-T143 PolarHBondContact O-OG1 2.95Å
140E77.1Confident65.1Low108 Ų10899.2 Ų99.251%0.50552%0.516SS..Hα-helixtrans-61.3-49.8175.2-170.9168.1-166.800110.1M136 S137 A142 T143 M144M136-E140 VanDerWaalsContact O-CB 3.31Å; M136-E140 WeakPolarHBondContact O-CB 3.42Å; M136-E140 PolarHBondContact O-N 3.13Å; S137-E140 PolarHBondContact O-N 2.85Å; E140-A142 PolarHBondContact O-N 3.15Å; E140-T143 CarbonylContact O-C 3.48Å; E140-T143 PolarHBondContact O-N 2.86Å; E140-T143 VanDerWaalsContact O-N 3.12Å; E140-T143 PolarHBondContact O-OG1 2.89Å; E140-M144 HydrophobicContact CG-CE 3.85Å; E140-M144 HydrophobicContact CG-CG 4.31Å; E140-M144 WeakPolarHBondContact O-CB 3.49Å; E140-M144 VanDerWaalsContact O-CG 3.24Å; E140-M144 WeakPolarHBondContact O-CG 3.24Å; E140-M144 PolarHBondContact O-N 3.07Å; E140-M144 WeakPolarHBondContact OE1-CE 3.29Å
141N74.2Confident65.3Low92 Ų9295.9 Ų95.949%0.49251%0.505SS..Hα-helixtrans-57.8-46.3176.3-69.2-0.2000112.1S137 T143 M144 D145S137-N141 WeakPolarHBondContact O-CB 3.2Å; S137-N141 PolarHBondContact O-N 2.9Å; S137-N141 PolarHBondContact O-OD1 3.47Å; N141-T143 VanDerWaalsContact C-N 3.33Å; N141-T143 PolarHBondContact O-N 3.28Å; N141-M144 PolarHBondContact O-N 3.01Å; N141-D145 WeakPolarHBondContact O-CB 3.33Å; N141-D145 PolarHBondContact O-N 2.79Å
142A73.9Confident65.9Low45 Ų4594.3 Ų94.337%0.37249%0.492SS..Hα-helixtrans-62.5-39.5176.600000112.1D138 L139 E140 L146D138-A142 VanDerWaalsContact O-CB 3.25Å; D138-A142 WeakPolarHBondContact O-CB 2.98Å; D138-A142 PolarHBondContact O-N 3.38Å; L139-A142 PolarHBondContact O-N 2.93Å; E140-A142 PolarHBondContact O-N 3.15Å; A142-L146 WeakPolarHBondContact O-CB 3.46Å; A142-L146 WeakPolarHBondContact O-CD1 3.26Å; A142-L146 VanDerWaalsContact O-CG 3.29Å; A142-L146 WeakPolarHBondContact O-CG 3.36Å; A142-L146 PolarHBondContact O-N 3.11Å
143T71.6Confident67.2Low51 Ų5191.9 Ų91.931%0.31348%0.484SS..Hα-helixtrans-71.8-33.7176.264.50000112.6L139 E140 N141 K147L139-T143 HydrophobicContact CD1-CG2 4.46Å; L139-T143 HydrophobicContact CG-CG2 4.47Å; L139-T143 WeakPolarHBondContact O-CB 3.37Å; L139-T143 WeakPolarHBondContact O-CG2 3.44Å; L139-T143 PolarHBondContact O-N 3.23Å; L139-T143 PolarHBondContact O-OG1 2.95Å; E140-T143 CarbonylContact O-C 3.48Å; E140-T143 PolarHBondContact O-N 2.86Å; E140-T143 VanDerWaalsContact O-N 3.12Å; E140-T143 PolarHBondContact O-OG1 2.89Å; N141-T143 VanDerWaalsContact C-N 3.33Å; N141-T143 PolarHBondContact O-N 3.28Å; T143-K147 WeakPolarHBondContact O-CB 3.39Å; T143-K147 WeakPolarHBondContact O-CG 3.12Å; T143-K147 PolarHBondContact O-N 2.8Å
144M68Low68.7Low76 Ų7687.2 Ų87.237%0.37446%0.463SS..Hα-helixtrans-67.3-44.3173.5-67-53.6179.600110.2E140 N141 L146 K147 I148E140-M144 HydrophobicContact CG-CE 3.85Å; E140-M144 HydrophobicContact CG-CG 4.31Å; E140-M144 WeakPolarHBondContact O-CB 3.49Å; E140-M144 VanDerWaalsContact O-CG 3.24Å; E140-M144 WeakPolarHBondContact O-CG 3.24Å; E140-M144 PolarHBondContact O-N 3.07Å; E140-M144 WeakPolarHBondContact OE1-CE 3.29Å; N141-M144 PolarHBondContact O-N 3.01Å; M144-L146 PolarHBondContact O-N 3.04Å; M144-K147 PolarHBondContact O-N 3.44Å; M144-K147 HydrophobicContact SD-CD 4.46Å; M144-I148 HydrophobicContact CB-CD1 4.5Å; M144-I148 VanDerWaalsContact O-CB 3.25Å; M144-I148 WeakPolarHBondContact O-CB 3.33Å; M144-I148 WeakPolarHBondContact O-CD1 3.37Å; M144-I148 WeakPolarHBondContact O-CG1 3.16Å; M144-I148 PolarHBondContact O-N 2.85Å
145D64.1Low70.4Confident107 Ų10783.6 Ų83.657%0.57245%0.452SS*.Hα-helixtrans-62.3-41176-76-18.8000112.2N141 I148 S149N141-D145 WeakPolarHBondContact O-CB 3.33Å; N141-D145 PolarHBondContact O-N 2.79Å; D145-I148 PolarHBondContact O-N 2.77Å; D145-S149 VanDerWaalsContact O-CB 3.24Å; D145-S149 WeakPolarHBondContact O-CB 3.41Å; D145-S149 PolarHBondContact O-N 2.9Å
146L64.9Low71.7Confident123 Ų12379.2 Ų79.264%0.64443%0.432SS*.Hα-helixtrans-65.2-42.9173.7-77.7165000112.4A142 M144 S149 S150A142-L146 WeakPolarHBondContact O-CB 3.46Å; A142-L146 WeakPolarHBondContact O-CD1 3.26Å; A142-L146 VanDerWaalsContact O-CG 3.29Å; A142-L146 WeakPolarHBondContact O-CG 3.36Å; A142-L146 PolarHBondContact O-N 3.11Å; M144-L146 PolarHBondContact O-N 3.04Å; L146-S149 PolarHBondContact O-N 3.03Å; L146-S150 WeakPolarHBondContact O-CB 3.31Å; L146-S150 PolarHBondContact O-N 3.01Å
147K61.8Low72.9Confident128 Ų12878.2 Ų78.256%0.55743%0.43SS*.Hα-helixtrans-63.8-43.4175.1-76.4170.3-174.7171.20111.1T143 M144 S150 V151T143-K147 WeakPolarHBondContact O-CB 3.39Å; T143-K147 WeakPolarHBondContact O-CG 3.12Å; T143-K147 PolarHBondContact O-N 2.8Å; M144-K147 PolarHBondContact O-N 3.44Å; M144-K147 HydrophobicContact SD-CD 4.46Å; K147-S150 PolarHBondContact O-N 2.81Å; K147-V151 WeakPolarHBondContact O-CB 3.45Å; K147-V151 WeakPolarHBondContact O-CG2 3.41Å; K147-V151 PolarHBondContact O-N 2.86Å
148I59.7Low73.8Confident63 Ų6377 Ų7732%0.32342%0.417SS..Hα-helixtrans-63.3-45.1177.4-73164.4000110.6M144 D145 S150 V151 R152M144-I148 HydrophobicContact CB-CD1 4.5Å; M144-I148 VanDerWaalsContact O-CB 3.25Å; M144-I148 WeakPolarHBondContact O-CB 3.33Å; M144-I148 WeakPolarHBondContact O-CD1 3.37Å; M144-I148 WeakPolarHBondContact O-CG1 3.16Å; M144-I148 PolarHBondContact O-N 2.85Å; D145-I148 PolarHBondContact O-N 2.77Å; I148-S150 VanDerWaalsContact C-N 3.32Å; I148-S150 PolarHBondContact O-N 3.5Å; I148-V151 CarbonylContact O-C 3.4Å; I148-V151 PolarHBondContact O-N 3.37Å; I148-R152 HydrophobicContact CG2-CG 4.31Å; I148-R152 VanDerWaalsContact O-CB 3.28Å; I148-R152 WeakPolarHBondContact O-CB 3.5Å; I148-R152 VanDerWaalsContact O-CG 3.26Å; I148-R152 WeakPolarHBondContact O-CG 3.48Å; I148-R152 PolarHBondContact O-N 2.79Å
149S61.6Low74.6Confident79 Ų7980.2 Ų80.255%0.55243%0.427SS*.Hα-helixtrans-58.9-44175.1178.50000111.3D145 L146 V151 R152 S153D145-S149 VanDerWaalsContact O-CB 3.24Å; D145-S149 WeakPolarHBondContact O-CB 3.41Å; D145-S149 PolarHBondContact O-N 2.9Å; L146-S149 PolarHBondContact O-N 3.03Å; S149-V151 VanDerWaalsContact C-N 3.33Å; S149-V151 PolarHBondContact O-N 3.06Å; S149-R152 CarbonylContact O-C 3.58Å; S149-R152 PolarHBondContact O-N 2.94Å; S149-S153 PolarHBondContact O-N 3.15Å
150S58.4Low75.6Confident76 Ų7678.3 Ų78.353%0.53142%0.416SS..Hα-helixtrans-64.9-34.2175.9-172.30000113.3L146 K147 I148L146-S150 WeakPolarHBondContact O-CB 3.31Å; L146-S150 PolarHBondContact O-N 3.01Å; K147-S150 PolarHBondContact O-N 2.81Å; I148-S150 VanDerWaalsContact C-N 3.32Å; I148-S150 PolarHBondContact O-N 3.5Å
151V56.3Low76.4Confident72 Ų7273.5 Ų73.544%0.43639%0.394SS..Hα-helixtrans-80.1-18.3177.7174.50000112.3K147 I148 S149K147-V151 WeakPolarHBondContact O-CB 3.45Å; K147-V151 WeakPolarHBondContact O-CG2 3.41Å; K147-V151 PolarHBondContact O-N 2.86Å; I148-V151 CarbonylContact O-C 3.4Å; I148-V151 PolarHBondContact O-N 3.37Å; S149-V151 VanDerWaalsContact C-N 3.33Å; S149-V151 PolarHBondContact O-N 3.06Å
152R65.9Low77.4Confident121 Ų12171.5 Ų71.546%0.45739%0.387SS..SBendtrans-109.38.4-179.2-65.9-179.7-177.1161.15.3113.6I148 S149I148-R152 HydrophobicContact CG2-CG 4.31Å; I148-R152 VanDerWaalsContact O-CB 3.28Å; I148-R152 WeakPolarHBondContact O-CB 3.5Å; I148-R152 VanDerWaalsContact O-CG 3.26Å; I148-R152 WeakPolarHBondContact O-CG 3.48Å; I148-R152 PolarHBondContact O-N 2.79Å; S149-R152 CarbonylContact O-C 3.58Å; S149-R152 PolarHBondContact O-N 2.94Å
153S77.6Confident78.4Confident53 Ų5372.6 Ų72.637%0.37140%0.396SS..  trans-62.2140.1178.6-178.30000110.4S149 H278 F279S149-S153 PolarHBondContact O-N 3.15Å; S153-H278 CarbonylContact O-C 3.58Å; S153-H278 WeakPolarHBondContact O-CA 3.08Å; S153-F279 PolarHBondContact O-N 3.17Å
154L88.4Confident79.5Confident26 Ų2673.5 Ų73.514%0.13640%0.399CS..EExtended strand (participates in β ladder)trans-108.4149.5177.7-76.2168.5000109.6L184 L242 I252 K277L154-L184 HydrophobicContact CB-CD2 3.62Å; L154-L184 VanDerWaalsContact O-CD2 3.31Å; L154-L184 WeakPolarHBondContact O-CD2 3.41Å; L154-L242 HydrophobicContact CD1-CD1 3.69Å; L154-I252 HydrophobicContact CD1-CD1 3.67Å; L154-I252 HydrophobicContact CD2-CD1 3.9Å; L154-I252 HydrophobicContact CG-CD1 4.48Å; L154-K277 CarbonylContact C-O 3.57Å; L154-K277 WeakPolarHBondContact CA-O 3.29Å
155V91Very high80.8Confident61 Ų6177.3 Ų77.337%0.3741%0.41SS..EExtended strand (participates in β ladder)trans-137.3148.8178.354.80000110.5D157 L276 K277 F279V155-D157 PolarHBondContact O-N 3.03Å; V155-L276 CarbonylContact O-C 3.52Å; V155-L276 WeakPolarHBondContact O-CA 3.45Å; V155-K277 HydrophobicContact CG1-CB 4.27Å; V155-K277 WeakPolarHBondContact CG1-O 3.32Å; V155-K277 PolarHBondContact N-O 2.99Å; V155-K277 PolarHBondContact O-N 3.2Å; V155-F279 HydrophobicContact CG1-CB 4.13Å; V155-F279 HydrophobicContact CG1-CD2 4.32Å
156L94.2Very high82.3Confident34 Ų3477.5 Ų77.518%0.17841%0.411CS..EExtended strand (participates in β ladder)trans-68.8122.7173.5-55.1179.4000109.9F158 C182 L184 L189 L276L156-F158 HydrophobicContact CB-CD1 4.32Å; L156-F158 HydrophobicContact CB-CE1 3.94Å; L156-F158 HydrophobicContact CB-CZ 4.28Å; L156-F158 HydrophobicContact CD1-CZ 4.23Å; L156-F158 HydrophobicContact CD2-CE1 3.89Å; L156-F158 HydrophobicContact CD2-CZ 4.08Å; L156-F158 HydrophobicContact CG-CE1 4.37Å; L156-F158 HydrophobicContact CG-CZ 4.43Å; L156-C182 HydrophobicContact CD1-CB 4.21Å; L156-C182 VanDerWaalsContact CD1-O 3.24Å; L156-C182 WeakPolarHBondContact CD1-O 3.38Å; L156-L184 HydrophobicContact CD2-CB 4.06Å; L156-L184 HydrophobicContact CG-CB 4.26Å; L156-L189 HydrophobicContact CD2-CD1 3.6Å; L156-L276 HydrophobicContact CD2-CG 4.37Å
157D93.8Very high83.7Confident95 Ų9574.5 Ų74.551%0.50840%0.395SS..  trans-104.844.3-179.1-162.424000111.8V155 P275 K277V155-D157 PolarHBondContact O-N 3.03Å; D157-P275 HydrophobicContact CB-CG 4.19Å; D157-P275 PolarHBondContact N-O 3.21Å; D157-K277 HydrophobicContact CB-CB 3.94Å
158F94.4Very high85.3Confident32 Ų3269 Ų6914%0.1437%0.371CS..SBendtrans-149.3153.8176.659.4-89.9000111.7L156 L179 C182 F254 Y274 P275L156-F158 HydrophobicContact CB-CD1 4.32Å; L156-F158 HydrophobicContact CB-CE1 3.94Å; L156-F158 HydrophobicContact CB-CZ 4.28Å; L156-F158 HydrophobicContact CD1-CZ 4.23Å; L156-F158 HydrophobicContact CD2-CE1 3.89Å; L156-F158 HydrophobicContact CD2-CZ 4.08Å; L156-F158 HydrophobicContact CG-CE1 4.37Å; L156-F158 HydrophobicContact CG-CZ 4.43Å; F158-L179 HydrophobicContact CE2-CD2 3.86Å; F158-L179 HydrophobicContact CZ-CD2 4.16Å; F158-C182 HydrophobicContact CE2-CB 4.28Å; F158-C182 HydrophobicContact CZ-CB 3.91Å; F158-F254 HydrophobicContact CE1-CE1 4.18Å; F158-F254 HydrophobicContact CE1-CZ 4.38Å; F158-F254 HydrophobicContact CZ-CE1 4.34Å; F158-F254 HydrophobicContact CZ-CZ 4.11Å; F158-Y274 HydrophobicContact CD1-CD1 4.1Å; F158-Y274 AromaticContact CD2-CD1 3.69Å; F158-Y274 HydrophobicContact CD2-CD1 3.69Å; F158-Y274 HydrophobicContact CD2-CE1 4.19Å; F158-Y274 HydrophobicContact CE1-CD1 4.13Å; F158-Y274 HydrophobicContact CE1-CG 4.45Å; F158-Y274 AromaticContact CE2-CD1 3.74Å; F158-Y274 HydrophobicContact CE2-CD1 3.74Å; F158-Y274 HydrophobicContact CE2-CE1 4.3Å; F158-Y274 AromaticContact CG-CD1 3.88Å; F158-Y274 HydrophobicContact CG-CD1 3.88Å; F158-Y274 AromaticContact CZ-CD1 3.96Å; F158-Y274 HydrophobicContact CZ-CD1 3.96Å; F158-Y274 HydrophobicContact CZ-CG 4.44Å; F158-P275 WeakPolarHBondContact CD1-O 3.41Å
159K94.1Very high87Confident147 Ų14772.1 Ų72.164%0.63938%0.379SS*.  trans-71.4132.2171.6-177.2-177.1173.7-171.80109.2P161 A163K159-P161 WeakPolarHBondContact O-CD 3.32Å; K159-A163 HydrophobicContact CG-CB 4.44Å
160Q95.8Very high88.6Confident56 Ų5672.1 Ų72.126%0.26237%0.373SS..  trans-55.2123.7174.2-66.3-66.1-1100110.6S162 A163 C182Q160-S162 VanDerWaalsContact C-N 3.32Å; Q160-S162 PolarHBondContact O-N 3.16Å; Q160-A163 HydrophobicContact CB-CB 4.31Å; Q160-A163 WeakPolarHBondContact O-CB 3.34Å; Q160-A163 PolarHBondContact O-N 3.36Å; Q160-C182 PolarHBondContact NE2-O 2.69Å
161P95.3Very high90.3Very high6 Ų669.6 Ų69.64%0.03935%0.352CS..G310 helixtrans-53-45.5179.7-34.140.3000114.1K159 A163 D164 F168 L179 Y274K159-P161 WeakPolarHBondContact O-CD 3.32Å; P161-A163 PolarHBondContact O-N 3.31Å; P161-A163 VanDerWaalsContact O-N 3.09Å; P161-D164 PolarHBondContact O-N 3.09Å; P161-D164 VanDerWaalsContact O-N 3.16Å; P161-F168 HydrophobicContact CB-CD2 4.02Å; P161-L179 WeakPolarHBondContact CB-O 3.29Å; P161-L179 HydrophobicContact CG-CB 4.03Å; P161-L179 HydrophobicContact CG-CD2 4.14Å; P161-L179 HydrophobicContact CG-CG 4.17Å; P161-L179 VanDerWaalsContact CG-O 3.32Å; P161-L179 WeakPolarHBondContact CG-O 3.33Å; P161-Y274 HydrophobicContact CG-CE1 4.21Å
162S94.1Very high92.2Very high50 Ų5066.8 Ų66.835%0.3533%0.334SS..G310 helixtrans-62.5-13.9177.945.70000114.6Q160 D164 E180Q160-S162 VanDerWaalsContact C-N 3.32Å; Q160-S162 PolarHBondContact O-N 3.16Å; S162-D164 PolarHBondContact O-N 3.17Å; S162-E180 WeakPolarHBondContact CB-O 3.36Å; S162-E180 PolarHBondContact N-O 2.85Å; S162-E180 PolarHBondContact OG-O 2.92Å
163A94.7Very high93.6Very high68 Ų6865.1 Ų65.156%0.56233%0.333SS*.G310 helixtrans-69.9-17.7175.700000112.9K159 Q160 P161K159-A163 HydrophobicContact CG-CB 4.44Å; Q160-A163 HydrophobicContact CB-CB 4.31Å; Q160-A163 WeakPolarHBondContact O-CB 3.34Å; Q160-A163 PolarHBondContact O-N 3.36Å; P161-A163 PolarHBondContact O-N 3.31Å; P161-A163 VanDerWaalsContact O-N 3.09Å
164D95.7Very high94.4Very high70 Ų7071.9 Ų71.937%0.37435%0.351SS..SBendtrans-123.694167.8-169-29.8000109.7P161 S162 L166 D167 F168P161-D164 PolarHBondContact O-N 3.09Å; P161-D164 VanDerWaalsContact O-N 3.16Å; S162-D164 PolarHBondContact O-N 3.17Å; D164-L166 VanDerWaalsContact C-N 3.32Å; D164-L166 PolarHBondContact O-N 3.29Å; D164-L166 PolarHBondContact OD1-N 2.79Å; D164-D167 HydrophobicContact CB-CB 4.11Å; D164-D167 PolarHBondContact OD1-N 3.18Å; D164-D167 VanDerWaalsContact OD1-N 3.17Å; D164-F168 WeakPolarHBondContact O-CB 3.49Å; D164-F168 PolarHBondContact O-N 2.88Å
165Y94.4Very high94.7Very high156 Ų15672.9 Ų72.961%0.61236%0.356SS*.Hα-helixtrans-61.9-36.8-174.7176.5-104.5000113.4R169Y165-R169 VanDerWaalsContact O-CB 3.23Å; Y165-R169 WeakPolarHBondContact O-CB 3.19Å; Y165-R169 PolarHBondContact O-N 3.28Å
166L95.8Very high95Very high111 Ų11170.5 Ų70.558%0.58134%0.342SS*.Hα-helixtrans-72.9-45.3-176.1-17562.7000110.6D164 R169 N170D164-L166 VanDerWaalsContact C-N 3.32Å; D164-L166 PolarHBondContact O-N 3.29Å; D164-L166 PolarHBondContact OD1-N 2.79Å; L166-R169 PolarHBondContact O-N 2.85Å; L166-N170 WeakPolarHBondContact O-CB 3.24Å; L166-N170 PolarHBondContact O-N 3.41Å; L166-N170 PolarHBondContact O-ND2 2.77Å; L166-N170 VanDerWaalsContact O-ND2 3.15Å
167D94.9Very high95.1Very high60 Ų6068.9 Ų68.932%0.32133%0.334SS..Hα-helixtrans-59.7-52.1173.4-178.559.8000110.9D164 R169 N170 R171D164-D167 HydrophobicContact CB-CB 4.11Å; D164-D167 PolarHBondContact OD1-N 3.18Å; D164-D167 VanDerWaalsContact OD1-N 3.17Å; D167-R169 VanDerWaalsContact C-N 3.32Å; D167-R169 PolarHBondContact O-N 2.79Å; D167-N170 PolarHBondContact O-N 2.86Å; D167-R171 WeakPolarHBondContact O-CG 3.41Å; D167-R171 PolarHBondContact O-N 3.1Å; D167-R171 IonicContact OD2-CZ 3.6Å; D167-R171 IonicContact OD2-NE 3.51Å; D167-R171 IonicContact OD2-NH1 2.78Å; D167-R171 PolarHBondContact OD2-NH1 2.85Å
168F95.4Very high95.3Very high13 Ų1364.4 Ų64.46%0.05731%0.31CS..Hα-helixtrans-52.1-48.6177.8169.2-107000112.6P161 D164 N170 R171 L172 S178 L179 E180 K194P161-F168 HydrophobicContact CB-CD2 4.02Å; D164-F168 WeakPolarHBondContact O-CB 3.49Å; D164-F168 PolarHBondContact O-N 2.88Å; F168-N170 PolarHBondContact O-N 3.14Å; F168-R171 PolarHBondContact O-N 2.82Å; F168-L172 HydrophobicContact CZ-CD2 4.48Å; F168-L172 WeakPolarHBondContact O-CB 3.21Å; F168-L172 PolarHBondContact O-N 3.44Å; F168-S178 WeakPolarHBondContact CD2-OG 3.27Å; F168-S178 WeakPolarHBondContact CE2-OG 3.23Å; F168-L179 WeakPolarHBondContact CE2-O 3.25Å; F168-E180 HydrophobicContact CE2-CB 4.22Å; F168-E180 HydrophobicContact CZ-CB 4.08Å; F168-E180 HydrophobicContact CZ-CG 4.08Å; F168-K194 HydrophobicContact CE1-CG 4.33Å; F168-K194 HydrophobicContact CZ-CB 3.82Å; F168-K194 HydrophobicContact CZ-CG 3.64Å
169R94.9Very high95.5Very high128 Ų12862.9 Ų62.948%0.48330%0.303SS..Hα-helixtrans-63.3-43.2178.6-176.6-178.1176.2-173.41111.5Y165 L166 D167 L172 I173Y165-R169 VanDerWaalsContact O-CB 3.23Å; Y165-R169 WeakPolarHBondContact O-CB 3.19Å; Y165-R169 PolarHBondContact O-N 3.28Å; L166-R169 PolarHBondContact O-N 2.85Å; D167-R169 VanDerWaalsContact C-N 3.32Å; D167-R169 PolarHBondContact O-N 2.79Å; R169-L172 PolarHBondContact O-N 3.36Å; R169-I173 HydrophobicContact CG-CD1 3.89Å; R169-I173 HydrophobicContact CG-CG1 4.49Å; R169-I173 VanDerWaalsContact O-CG1 3.26Å; R169-I173 WeakPolarHBondContact O-CG1 3.44Å; R169-I173 PolarHBondContact O-N 2.79Å
170N95.1Very high95.6Very high79 Ų7957.9 Ų57.942%0.42228%0.282SS..Hα-helixtrans-63.3-42.5179-72.5-26000111.6L166 D167 F168 I173 R174L166-N170 WeakPolarHBondContact O-CB 3.24Å; L166-N170 PolarHBondContact O-N 3.41Å; L166-N170 PolarHBondContact O-ND2 2.77Å; L166-N170 VanDerWaalsContact O-ND2 3.15Å; D167-N170 PolarHBondContact O-N 2.86Å; F168-N170 PolarHBondContact O-N 3.14Å; N170-I173 PolarHBondContact O-N 2.69Å; N170-R174 WeakPolarHBondContact O-CB 3.37Å; N170-R174 PolarHBondContact O-N 3.26Å
171R95.4Very high95.6Very high24 Ų2458 Ų589%0.09129%0.285CS..Hα-helixtrans-64.1-43.7174.7-64.9-169.7-26.2-13710.8111.8D167 F168 I173 R174 N175 S178D167-R171 WeakPolarHBondContact O-CG 3.41Å; D167-R171 PolarHBondContact O-N 3.1Å; D167-R171 IonicContact OD2-CZ 3.6Å; D167-R171 IonicContact OD2-NE 3.51Å; D167-R171 IonicContact OD2-NH1 2.78Å; D167-R171 PolarHBondContact OD2-NH1 2.85Å; F168-R171 PolarHBondContact O-N 2.82Å; R171-I173 VanDerWaalsContact C-N 3.32Å; R171-I173 PolarHBondContact O-N 2.57Å; R171-R174 PolarHBondContact O-N 2.81Å; R171-N175 WeakPolarHBondContact O-CB 3.39Å; R171-N175 PolarHBondContact O-N 3.08Å; R171-S178 PolarHBondContact NH2-OG 2.95Å
172L95.8Very high95.7Very high12 Ų1258.1 Ų58.16%0.06329%0.285CS..Hα-helixtrans-61.3-40.5176.7-178.861.1000112F168 R169 C176 K194 R196 T233F168-L172 HydrophobicContact CZ-CD2 4.48Å; F168-L172 WeakPolarHBondContact O-CB 3.21Å; F168-L172 PolarHBondContact O-N 3.44Å; R169-L172 PolarHBondContact O-N 3.36Å; L172-C176 WeakPolarHBondContact O-CA 3.4Å; L172-C176 PolarHBondContact O-N 2.98Å; L172-K194 HydrophobicContact CD1-CB 4.06Å; L172-K194 VanDerWaalsContact CD1-O 3.24Å; L172-K194 WeakPolarHBondContact CD1-O 3.08Å; L172-K194 HydrophobicContact CD2-CB 3.76Å; L172-R196 HydrophobicContact CD1-CG 4.39Å; L172-R196 HydrophobicContact CG-CG 4.32Å; L172-R196 WeakPolarHBondContact O-CD 3.43Å; L172-T233 HydrophobicContact CD2-CG2 3.79Å
173I94.8Very high95.8Very high86 Ų8658.7 Ų58.744%0.44129%0.289SS..Hα-helixtrans-64.5-44.1176.4-70.2167.6000111R169 N170 R171R169-I173 HydrophobicContact CG-CD1 3.89Å; R169-I173 HydrophobicContact CG-CG1 4.49Å; R169-I173 VanDerWaalsContact O-CG1 3.26Å; R169-I173 WeakPolarHBondContact O-CG1 3.44Å; R169-I173 PolarHBondContact O-N 2.79Å; N170-I173 PolarHBondContact O-N 2.69Å; R171-I173 VanDerWaalsContact C-N 3.32Å; R171-I173 PolarHBondContact O-N 2.57Å
174R94.4Very high95.7Very high195 Ų19557.2 Ų57.274%0.73627%0.272SS*.Hα-helixtrans-72.6-47.8-176.9-173.3-174.3-65.9179.50.6112.9N170 R171N170-R174 WeakPolarHBondContact O-CB 3.37Å; N170-R174 PolarHBondContact O-N 3.26Å; R171-R174 PolarHBondContact O-N 2.81Å
175N95.3Very high95.4Very high48 Ų4860.9 Ų60.926%0.25729%0.286SS..Hα-helixtrans-100.9-4.5-168.6-58.9-13.5000112.6R171 V177 Y265R171-N175 WeakPolarHBondContact O-CB 3.39Å; R171-N175 PolarHBondContact O-N 3.08Å; N175-V177 PolarHBondContact O-N 3Å; N175-Y265 WeakPolarHBondContact O-CB 3.17Å
176C96.5Very high95Very high11 Ų1161.8 Ų61.87%0.07430%0.296CS..SBendtrans63.5-9.2-176.5-59.20000116.1L172 V195 R196 F258 Y265L172-C176 WeakPolarHBondContact O-CA 3.4Å; L172-C176 PolarHBondContact O-N 2.98Å; C176-V195 CarbonylContact O-C 3.58Å; C176-V195 VanDerWaalsContact O-CA 3.29Å; C176-V195 WeakPolarHBondContact O-CA 3.43Å; C176-R196 HydrophobicContact CB-CB 4.36Å; C176-R196 PolarHBondContact O-N 3.34Å; C176-F258 HydrophobicContact CB-CD1 4.25Å; C176-F258 HydrophobicContact CB-CE1 4.18Å; C176-Y265 HydrophobicContact CB-CD1 3.9Å; C176-Y265 HydrophobicContact CB-CD2 4.16Å; C176-Y265 HydrophobicContact CB-CE1 4.13Å; C176-Y265 HydrophobicContact CB-CE2 4.38Å; C176-Y265 HydrophobicContact CB-CG 3.91Å
177V97.6Very high94.6Very high0 Ų061.5 Ų61.50%029%0.287CS..EExtended strand (participates in β ladder)trans-141.9141.7176.554.10000109.6N175 I193 K194 V195 I256 F258 D267N175-V177 PolarHBondContact O-N 3Å; V177-I193 HydrophobicContact CG2-CG2 3.78Å; V177-K194 WeakPolarHBondContact CA-O 3.23Å; V177-V195 HydrophobicContact CB-CG1 4.11Å; V177-V195 HydrophobicContact CG2-CG1 3.89Å; V177-I256 HydrophobicContact CG2-CB 4.34Å; V177-I256 HydrophobicContact CG2-CG2 3.6Å; V177-F258 HydrophobicContact CB-CB 3.76Å; V177-F258 HydrophobicContact CB-CD1 4.13Å; V177-F258 HydrophobicContact CB-CG 4.31Å; V177-F258 HydrophobicContact CG1-CB 3.92Å; V177-F258 HydrophobicContact CG2-CB 4.03Å; V177-D267 HydrophobicContact CG1-CB 4.05Å; V177-D267 HydrophobicContact CG2-CB 4.34Å
178S97.5Very high94.6Very high0 Ų060.2 Ų60.20%028%0.283CS..EExtended strand (participates in β ladder)trans-150.9140.2167.3-176.70000110.6F168 R171 E180 K194 D267F168-S178 WeakPolarHBondContact CD2-OG 3.27Å; F168-S178 WeakPolarHBondContact CE2-OG 3.23Å; R171-S178 PolarHBondContact NH2-OG 2.95Å; S178-E180 PolarHBondContact O-N 3Å; S178-K194 PolarHBondContact N-O 3.42Å; S178-K194 PolarHBondContact O-N 2.84Å; S178-D267 WeakPolarHBondContact CA-OD2 3.4Å
179L97.9Very high94.6Very high0 Ų059.6 Ų59.60%028%0.28CS..EExtended strand (participates in β ladder)trans-56.1135162.2-176.268000108.8F158 P161 F168 C182 I193 F238 F254 I256 D267 Y274F158-L179 HydrophobicContact CE2-CD2 3.86Å; F158-L179 HydrophobicContact CZ-CD2 4.16Å; P161-L179 WeakPolarHBondContact CB-O 3.29Å; P161-L179 HydrophobicContact CG-CB 4.03Å; P161-L179 HydrophobicContact CG-CD2 4.14Å; P161-L179 HydrophobicContact CG-CG 4.17Å; P161-L179 VanDerWaalsContact CG-O 3.32Å; P161-L179 WeakPolarHBondContact CG-O 3.33Å; F168-L179 WeakPolarHBondContact CE2-O 3.25Å; L179-C182 HydrophobicContact CD1-CB 4.41Å; L179-C182 HydrophobicContact CD2-CB 4.12Å; L179-I193 HydrophobicContact CD1-CG1 4.23Å; L179-F238 HydrophobicContact CD1-CE1 3.78Å; L179-F238 HydrophobicContact CD1-CZ 4.21Å; L179-F254 HydrophobicContact CD1-CE2 4.45Å; L179-F254 HydrophobicContact CD2-CE2 4.21Å; L179-F254 HydrophobicContact CD2-CZ 4.12Å; L179-I256 HydrophobicContact CB-CD1 3.55Å; L179-I256 HydrophobicContact CD1-CD1 4.05Å; L179-I256 HydrophobicContact CG-CD1 4.38Å; L179-D267 PolarHBondContact N-OD2 3.12Å; L179-Y274 HydrophobicContact CB-CE1 4.23Å; L179-Y274 HydrophobicContact CB-CE2 3.96Å; L179-Y274 WeakPolarHBondContact CB-OH 3.46Å; L179-Y274 HydrophobicContact CD2-CD1 3.66Å; L179-Y274 HydrophobicContact CD2-CD2 4.2Å; L179-Y274 HydrophobicContact CD2-CE1 3.49Å; L179-Y274 VanDerWaalsContact CD2-CE1 3.49Å; L179-Y274 HydrophobicContact CD2-CE2 4.04Å; L179-Y274 HydrophobicContact CD2-CG 4.02Å
180E96.4Very high94.7Very high42 Ų4255.3 Ų55.320%0.19627%0.269CS..EExtended strand (participates in β ladder)trans-97.6-58.5177.5-175.2-178.7-165.300110.3S162 F168 S178 T192 K194S162-E180 WeakPolarHBondContact CB-O 3.36Å; S162-E180 PolarHBondContact N-O 2.85Å; S162-E180 PolarHBondContact OG-O 2.92Å; F168-E180 HydrophobicContact CE2-CB 4.22Å; F168-E180 HydrophobicContact CZ-CB 4.08Å; F168-E180 HydrophobicContact CZ-CG 4.08Å; S178-E180 PolarHBondContact O-N 3Å; E180-T192 WeakPolarHBondContact CB-O 3.01Å; E180-T192 PolarHBondContact N-O 3.41Å; E180-T192 PolarHBondContact OE2-OG1 2.75Å; E180-T192 VanDerWaalsContact OE2-OG1 3.06Å; E180-K194 HydrophobicContact CB-CG 4.21Å; E180-K194 VanDerWaalsContact CD-CE 3.42Å; E180-K194 HydrophobicContact CG-CG 4.35Å; E180-K194 WeakPolarHBondContact OE1-CE 3.44Å; E180-K194 WeakPolarHBondContact OE2-CE 3.33Å
181N95.9Very high94.9Very high60 Ų6051.9 Ų51.932%0.32125%0.252SS..EExtended strand (participates in β ladder)trans-148.6153.9177.943.161.4000110.5G191 T192N181-G191 CarbonylContact O-C 3.54Å; N181-G191 WeakPolarHBondContact O-CA 3.32Å; N181-T192 PolarHBondContact N-O 3.46Å; N181-T192 PolarHBondContact ND2-OG1 3.3Å; N181-T192 PolarHBondContact O-N 3.18Å; N181-T192 PolarHBondContact OD1-N 2.95Å; N181-T192 PolarHBondContact OD1-OG1 2.96Å
182C96.9Very high95Very high7 Ų752 Ų525%0.04726%0.255CS..EExtended strand (participates in β ladder)trans-142.6142.2179.9-176.40000110.3L156 F158 Q160 L179 L189 T190L156-C182 HydrophobicContact CD1-CB 4.21Å; L156-C182 VanDerWaalsContact CD1-O 3.24Å; L156-C182 WeakPolarHBondContact CD1-O 3.38Å; F158-C182 HydrophobicContact CE2-CB 4.28Å; F158-C182 HydrophobicContact CZ-CB 3.91Å; Q160-C182 PolarHBondContact NE2-O 2.69Å; L179-C182 HydrophobicContact CD1-CB 4.41Å; L179-C182 HydrophobicContact CD2-CB 4.12Å; C182-L189 WeakPolarHBondContact SG-CD1 3.27Å; C182-T190 CarbonylContact C-O 3.5Å; C182-T190 VanDerWaalsContact CA-O 3.31Å; C182-T190 WeakPolarHBondContact CA-O 3.49Å; C182-T190 PolarHBondContact SG-O 3.04Å; C182-T190 VanDerWaalsContact SG-O 3.36Å
183S95.6Very high95.1Very high62 Ų6251.4 Ų51.443%0.43425%0.252SS..EExtended strand (participates in β ladder)trans-134.5140.2176.839.10000109.7T190S183-T190 PolarHBondContact N-O 3.46Å; S183-T190 PolarHBondContact O-N 2.82Å; S183-T190 PolarHBondContact O-OG1 2.88Å; S183-T190 PolarHBondContact OG-OG1 3.22Å
184L93.9Very high95.2Very high37 Ų3748.4 Ų48.419%0.19424%0.236CC..EExtended strand (participates in β ladder)trans-115.9118173.2178.157.4000108.3L154 L156 L189 L242 L276L154-L184 HydrophobicContact CB-CD2 3.62Å; L154-L184 VanDerWaalsContact O-CD2 3.31Å; L154-L184 WeakPolarHBondContact O-CD2 3.41Å; L156-L184 HydrophobicContact CD2-CB 4.06Å; L156-L184 HydrophobicContact CG-CB 4.26Å; L184-L189 HydrophobicContact CB-CD1 3.94Å; L184-L189 HydrophobicContact CD1-CB 4.15Å; L184-L189 HydrophobicContact CD1-CD1 4.18Å; L184-L242 HydrophobicContact CD1-CD1 3.61Å; L184-L242 HydrophobicContact CD2-CD1 4.38Å; L184-L276 HydrophobicContact CD2-CD2 3.89Å
185Q89.6Confident95.3Very high147 Ų14739.1 Ų39.169%0.68720%0.201SC*.EExtended strand (participates in β ladder)trans-121.6113.8174.6-174.1169.712.600108.5R187 S188Q185-R187 PolarHBondContact O-N 3.43Å; Q185-S188 PolarHBondContact N-O 3.44Å; Q185-S188 PolarHBondContact O-N 2.77Å
186E85.1Confident95.3Very high175 Ų17541.4 Ų41.482%0.81821%0.206SC*.THydrogen-bonded Turntrans55-101.2-173.3-58172.9-170.600111.3
187R88.7Confident95.1Very high105 Ų10544.3 Ų44.340%0.39622%0.221SC..THydrogen-bonded Turntrans-115.1-1.3176.2-60.5-171.7-62.7109.26113.2Q185 E241 L242Q185-R187 PolarHBondContact O-N 3.43Å; R187-E241 IonicContact CZ-OE1 3.04Å; R187-E241 IonicContact NH1-OE1 3.93Å; R187-E241 PolarHBondContact NH1-OE1 2.94Å; R187-E241 IonicContact NH2-OE1 3.76Å; R187-E241 PolarHBondContact NH2-OE1 3.25Å; R187-L242 HydrophobicContact CB-CB 4.4Å; R187-L242 PolarHBondContact NH1-O 2.73Å; R187-L242 PolarHBondContact O-N 3.49Å
188S93.3Very high94.9Very high33 Ų3346.8 Ų46.823%0.23124%0.236CC..EExtended strand (participates in β ladder)trans-91.6113176.7-176.60000109.9Q185 E239Q185-S188 PolarHBondContact N-O 3.44Å; Q185-S188 PolarHBondContact O-N 2.77Å; S188-E239 PolarHBondContact OG-OE1 3.35Å; S188-E239 VanDerWaalsContact OG-OE1 3.1Å
189L96.4Very high94.7Very high0 Ų047.2 Ų47.20%024%0.24CC..EExtended strand (participates in β ladder)trans-96.5116.3172.5-176.274.7000108.3L156 C182 L184 F238 E239 L240 L242 F254 L276L156-L189 HydrophobicContact CD2-CD1 3.6Å; C182-L189 WeakPolarHBondContact SG-CD1 3.27Å; L184-L189 HydrophobicContact CB-CD1 3.94Å; L184-L189 HydrophobicContact CD1-CB 4.15Å; L184-L189 HydrophobicContact CD1-CD1 4.18Å; L189-F238 HydrophobicContact CD2-CE2 4.39Å; L189-F238 HydrophobicContact CG-CE2 4.22Å; L189-E239 WeakPolarHBondContact O-CA 3.34Å; L189-L240 HydrophobicContact CB-CD1 3.67Å; L189-L240 HydrophobicContact CB-CG 3.84Å; L189-L240 HydrophobicContact CD2-CD1 3.85Å; L189-L240 HydrophobicContact CD2-CD2 3.98Å; L189-L240 HydrophobicContact CD2-CG 4.04Å; L189-L240 HydrophobicContact CG-CD1 4.34Å; L189-L240 HydrophobicContact CG-CG 4.34Å; L189-L240 PolarHBondContact N-O 3.38Å; L189-L240 PolarHBondContact O-N 3.04Å; L189-L242 HydrophobicContact CB-CG 4.49Å; L189-F254 HydrophobicContact CD2-CD1 3.91Å; L189-F254 HydrophobicContact CD2-CE1 3.79Å; L189-F254 HydrophobicContact CD2-CZ 4.47Å; L189-L276 HydrophobicContact CD1-CD2 4.35Å; L189-L276 HydrophobicContact CD2-CD1 4.33Å; L189-L276 HydrophobicContact CD2-CD2 4.4Å
190T97.7Very high94.4Very high39 Ų3958.1 Ų58.124%0.23928%0.283CS..EExtended strand (participates in β ladder)trans-120.7155.8-177.648.70000109.9C182 S183 F238 E239C182-T190 CarbonylContact C-O 3.5Å; C182-T190 VanDerWaalsContact CA-O 3.31Å; C182-T190 WeakPolarHBondContact CA-O 3.49Å; C182-T190 PolarHBondContact SG-O 3.04Å; C182-T190 VanDerWaalsContact SG-O 3.36Å; S183-T190 PolarHBondContact N-O 3.46Å; S183-T190 PolarHBondContact O-N 2.82Å; S183-T190 PolarHBondContact O-OG1 2.88Å; S183-T190 PolarHBondContact OG-OG1 3.22Å; T190-F238 WeakPolarHBondContact CA-O 3.29Å; T190-E239 HydrophobicContact CG2-CB 4.08Å; T190-E239 HydrophobicContact CG2-CG 3.84Å
191G97.4Very high94.4Very high7 Ų764.2 Ų64.27%0.07231%0.312CS..EExtended strand (participates in β ladder)trans-176.2170.8174.400000113.4N181 A237 F238N181-G191 CarbonylContact O-C 3.54Å; N181-G191 WeakPolarHBondContact O-CA 3.32Å; G191-A237 WeakPolarHBondContact O-CA 3.47Å; G191-F238 VanDerWaalsContact CA-CE1 3.47Å; G191-F238 PolarHBondContact N-O 3.15Å; G191-F238 VanDerWaalsContact N-O 3.14Å; G191-F238 WeakPolarHBondContact O-CD1 3.4Å; G191-F238 PolarHBondContact O-N 3.45Å
192T97.5Very high94.4Very high25 Ų2563 Ų6315%0.15330%0.303CS..EExtended strand (participates in β ladder)trans-119.2147.9173.265.40000111.1E180 N181 L224 F236E180-T192 WeakPolarHBondContact CB-O 3.01Å; E180-T192 PolarHBondContact N-O 3.41Å; E180-T192 PolarHBondContact OE2-OG1 2.75Å; E180-T192 VanDerWaalsContact OE2-OG1 3.06Å; N181-T192 PolarHBondContact N-O 3.46Å; N181-T192 PolarHBondContact ND2-OG1 3.3Å; N181-T192 PolarHBondContact O-N 3.18Å; N181-T192 PolarHBondContact OD1-N 2.95Å; N181-T192 PolarHBondContact OD1-OG1 2.96Å; T192-L224 HydrophobicContact CG2-CD1 4.19Å; T192-F236 CarbonylContact C-O 3.5Å; T192-F236 VanDerWaalsContact CA-O 3.27Å; T192-F236 WeakPolarHBondContact CA-O 3.43Å
193I97.9Very high94.4Very high0 Ų064.9 Ų64.90%032%0.317CS..EExtended strand (participates in β ladder)trans-127.9131.3-174-60.9163.7000106.7V177 L179 V195 V204 V206 T235 F236 F238 I256V177-I193 HydrophobicContact CG2-CG2 3.78Å; L179-I193 HydrophobicContact CD1-CG1 4.23Å; I193-V195 HydrophobicContact CG2-CG1 4.17Å; I193-V204 HydrophobicContact CD1-CG1 3.99Å; I193-V204 HydrophobicContact CG2-CG1 4.15Å; I193-V206 HydrophobicContact CD1-CG2 3.8Å; I193-T235 CarbonylContact O-C 3.52Å; I193-T235 WeakPolarHBondContact O-CA 3.2Å; I193-F236 HydrophobicContact CB-CB 4.43Å; I193-F236 PolarHBondContact N-O 3.47Å; I193-F236 PolarHBondContact O-N 3.25Å; I193-F238 HydrophobicContact CD1-CD1 3.58Å; I193-F238 HydrophobicContact CD1-CE1 4.04Å; I193-F238 HydrophobicContact CG1-CD1 3.94Å; I193-F238 HydrophobicContact CG1-CE1 4.05Å; I193-I256 HydrophobicContact CD1-CD1 4.03Å; I193-I256 HydrophobicContact CD1-CG1 3.98Å; I193-I256 HydrophobicContact CD1-CG2 3.94Å; I193-I256 HydrophobicContact CG1-CD1 3.81Å; I193-I256 HydrophobicContact CG1-CG1 4.32Å; I193-I256 HydrophobicContact CG2-CD1 4.23Å; I193-I256 HydrophobicContact CG2-CG2 4Å
194K96.8Very high94.5Very high24 Ų2462.1 Ų62.110%0.10430%0.297CS..EExtended strand (participates in β ladder)trans-97.1136.9168.7-69.5-68.1-174.7171.90109.7F168 L172 V177 S178 E180 D234 T235F168-K194 HydrophobicContact CE1-CG 4.33Å; F168-K194 HydrophobicContact CZ-CB 3.82Å; F168-K194 HydrophobicContact CZ-CG 3.64Å; L172-K194 HydrophobicContact CD1-CB 4.06Å; L172-K194 VanDerWaalsContact CD1-O 3.24Å; L172-K194 WeakPolarHBondContact CD1-O 3.08Å; L172-K194 HydrophobicContact CD2-CB 3.76Å; V177-K194 WeakPolarHBondContact CA-O 3.23Å; S178-K194 PolarHBondContact N-O 3.42Å; S178-K194 PolarHBondContact O-N 2.84Å; E180-K194 HydrophobicContact CB-CG 4.21Å; E180-K194 VanDerWaalsContact CD-CE 3.42Å; E180-K194 HydrophobicContact CG-CG 4.35Å; E180-K194 WeakPolarHBondContact OE1-CE 3.44Å; E180-K194 WeakPolarHBondContact OE2-CE 3.33Å; K194-D234 WeakPolarHBondContact CA-O 3.39Å; K194-T235 HydrophobicContact CD-CG2 4.22Å; K194-T235 WeakPolarHBondContact CD-OG1 3.24Å; K194-T235 WeakPolarHBondContact CE-OG1 3.5Å; K194-T235 PolarHBondContact NZ-OG1 3.34Å
195V97Very high94.8Very high0 Ų061.7 Ų61.70%029%0.294CS..EExtended strand (participates in β ladder)trans-127151170.8-58.60000110C176 V177 I193 K202 V204 T233 D234 F236 F258C176-V195 CarbonylContact O-C 3.58Å; C176-V195 VanDerWaalsContact O-CA 3.29Å; C176-V195 WeakPolarHBondContact O-CA 3.43Å; V177-V195 HydrophobicContact CB-CG1 4.11Å; V177-V195 HydrophobicContact CG2-CG1 3.89Å; I193-V195 HydrophobicContact CG2-CG1 4.17Å; V195-K202 HydrophobicContact CG2-CD 3.95Å; V195-V204 HydrophobicContact CG1-CG2 3.82Å; V195-T233 CarbonylContact O-C 3.52Å; V195-T233 WeakPolarHBondContact O-CA 3.48Å; V195-D234 HydrophobicContact CG2-CB 3.79Å; V195-D234 PolarHBondContact N-O 3.42Å; V195-D234 PolarHBondContact O-N 3.37Å; V195-F236 HydrophobicContact CG1-CD2 4.49Å; V195-F236 HydrophobicContact CG2-CD2 3.8Å; V195-F236 HydrophobicContact CG2-CE2 3.54Å; V195-F258 HydrophobicContact CB-CD1 4.15Å; V195-F258 HydrophobicContact CB-CD2 4.37Å; V195-F258 HydrophobicContact CB-CE1 4.01Å; V195-F258 HydrophobicContact CB-CE2 4.25Å; V195-F258 HydrophobicContact CB-CG 4.32Å; V195-F258 HydrophobicContact CB-CZ 4.05Å; V195-F258 HydrophobicContact CG1-CB 4.32Å; V195-F258 HydrophobicContact CG1-CD1 4.15Å; V195-F258 HydrophobicContact CG1-CD2 4.05Å; V195-F258 HydrophobicContact CG1-CE1 4.48Å; V195-F258 HydrophobicContact CG1-CE2 4.4Å; V195-F258 HydrophobicContact CG1-CG 3.91Å; V195-F258 HydrophobicContact CG2-CE2 4.31Å; V195-F258 HydrophobicContact CG2-CZ 4.28Å
196R95.6Very high95.2Very high96 Ų9654.7 Ų54.736%0.36226%0.261SS..EExtended strand (participates in β ladder)trans-71.5137.9171.8-72.8-169.267.9-166.3-6.9110.7L172 C176 V198L172-R196 HydrophobicContact CD1-CG 4.39Å; L172-R196 HydrophobicContact CG-CG 4.32Å; L172-R196 WeakPolarHBondContact O-CD 3.43Å; C176-R196 HydrophobicContact CB-CB 4.36Å; C176-R196 PolarHBondContact O-N 3.34Å; R196-V198 VanDerWaalsContact C-N 3.25Å; R196-V198 HydrophobicContact CB-CG1 3.95Å; R196-V198 PolarHBondContact O-N 3.25Å
197N93.3Very high95.8Very high72 Ų7249 Ų4939%0.38523%0.232SC..  trans-8170.5177.6-169.612000111.2K202 Q231 D232 D234N197-K202 PolarHBondContact OD1-NZ 3.04Å; N197-Q231 PolarHBondContact ND2-O 2.97Å; N197-D232 PolarHBondContact N-O 3.24Å; N197-D234 PolarHBondContact OD1-OD2 3.42Å
198V92.9Very high96.2Very high51 Ų5144 Ų4431%0.30921%0.213SC..SBendtrans-93.3-13.1-178.6-62.10000114R196 F258 V260 Q261R196-V198 VanDerWaalsContact C-N 3.25Å; R196-V198 HydrophobicContact CB-CG1 3.95Å; R196-V198 PolarHBondContact O-N 3.25Å; V198-F258 HydrophobicContact CG2-CZ 4.44Å; V198-V260 HydrophobicContact CG2-CB 4.32Å; V198-V260 HydrophobicContact CG2-CG1 3.52Å; V198-V260 HydrophobicContact CG2-CG2 3.87Å; V198-Q261 PolarHBondContact O-NE2 2.97Å
199G92.7Very high96.3Very high9 Ų942.4 Ų42.49%0.09320%0.202CC..  trans-168.3151.8179.200000111.8K202 Q261G199-K202 WeakPolarHBondContact O-CE 3.42Å; G199-K202 WeakPolarHBondContact O-CG 3.32Å; G199-K202 PolarHBondContact O-NZ 2.92Å; G199-Q261 VanDerWaalsContact CA-NE2 3.27Å
200Y92.1Very high96.2Very high229 Ų22944.7 Ų44.790%0.89821%0.211SC*.SBendtrans-66.1-50.5-172.8-178.2-103.7000113.3K202Y200-K202 PolarHBondContact O-N 3.46Å
201E95.7Very high95.9Very high171 Ų17144.4 Ų44.480%0.79921%0.209SC*.  trans-78.2110.3180-170.1172-171.500110.5
202K96.2Very high95.7Very high34 Ų3446.5 Ų46.515%0.14822%0.222CC..EExtended strand (participates in β ladder)trans-126.1132.8-176.2-63.1-172.5-172.175.50109.7V195 N197 G199 Y200 D234 F236 F258 V260V195-K202 HydrophobicContact CG2-CD 3.95Å; N197-K202 PolarHBondContact OD1-NZ 3.04Å; G199-K202 WeakPolarHBondContact O-CE 3.42Å; G199-K202 WeakPolarHBondContact O-CG 3.32Å; G199-K202 PolarHBondContact O-NZ 2.92Å; Y200-K202 PolarHBondContact O-N 3.46Å; K202-D234 WeakPolarHBondContact CE-OD2 3.15Å; K202-D234 IonicContact NZ-OD2 3.28Å; K202-D234 PolarHBondContact NZ-OD2 3.34Å; K202-F236 HydrophobicContact CB-CZ 3.9Å; K202-F236 HydrophobicContact CD-CE2 4.21Å; K202-F236 HydrophobicContact CD-CZ 4.28Å; K202-F258 HydrophobicContact CB-CE2 3.9Å; K202-F258 HydrophobicContact CD-CE2 3.91Å; K202-F258 HydrophobicContact CD-CZ 4.07Å; K202-F258 HydrophobicContact CG-CE2 3.84Å; K202-F258 HydrophobicContact CG-CZ 4.25Å; K202-V260 HydrophobicContact CG-CG2 4.27Å
203S97.5Very high95.5Very high47 Ų4749.3 Ų49.333%0.32923%0.23SC..EExtended strand (participates in β ladder)trans-118.8118.8168.7168.70000108.1K259S203-K259 PolarHBondContact N-O 2.87Å; S203-K259 PolarHBondContact O-N 2.98Å
204V98.3Very high95.3Very high3 Ų355 Ų552%0.01826%0.264CS..EExtended strand (participates in β ladder)trans-116.7129.4176.6-175.80000107.1I193 V195 C221 F236 I256 C257 F258I193-V204 HydrophobicContact CD1-CG1 3.99Å; I193-V204 HydrophobicContact CG2-CG1 4.15Å; V195-V204 HydrophobicContact CG1-CG2 3.82Å; V204-C221 HydrophobicContact CB-CB 3.99Å; V204-C221 HydrophobicContact CG1-CB 4.04Å; V204-C221 WeakPolarHBondContact O-CB 3.19Å; V204-C221 PolarHBondContact O-N 3.02Å; V204-C221 PolarHBondContact O-SG 3.29Å; V204-F236 HydrophobicContact CB-CB 4.38Å; V204-F236 HydrophobicContact CB-CD1 3.98Å; V204-F236 HydrophobicContact CB-CE1 4.42Å; V204-F236 HydrophobicContact CB-CG 4.05Å; V204-F236 HydrophobicContact CG1-CB 4.41Å; V204-F236 HydrophobicContact CG2-CB 4.47Å; V204-F236 HydrophobicContact CG2-CD1 3.87Å; V204-F236 HydrophobicContact CG2-CD2 3.76Å; V204-F236 HydrophobicContact CG2-CE1 3.99Å; V204-F236 HydrophobicContact CG2-CE2 3.9Å; V204-F236 HydrophobicContact CG2-CG 3.76Å; V204-F236 HydrophobicContact CG2-CZ 4.01Å; V204-I256 HydrophobicContact CG1-CG2 3.96Å; V204-C257 CarbonylContact C-O 3.51Å; V204-C257 WeakPolarHBondContact CA-O 3.17Å; V204-F258 HydrophobicContact CG2-CD2 3.79Å; V204-F258 HydrophobicContact CG2-CE2 4.43Å
205Q98.4Very high95.3Very high28 Ų2857.6 Ų57.613%0.13128%0.282CS..EExtended strand (participates in β ladder)trans-132.7138.1-177.8-53.4-176.4-66.800109.2V219 D220 C257Q205-V219 CarbonylContact C-O 3.59Å; Q205-V219 VanDerWaalsContact CA-O 3.24Å; Q205-V219 WeakPolarHBondContact CA-O 3.48Å; Q205-D220 WeakPolarHBondContact CG-OD1 3.25Å; Q205-D220 PolarHBondContact NE2-OD1 3.12Å; Q205-C257 HydrophobicContact CB-CB 4.41Å; Q205-C257 PolarHBondContact N-O 2.84Å; Q205-C257 PolarHBondContact O-N 3.33Å
206V98.4Very high95.2Very high0 Ų063.1 Ų63.10%031%0.306CS..EExtended strand (participates in β ladder)trans-92.3121.7165.4174.50000107.9I193 D218 V219 F238 L240 F254 I256I193-V206 HydrophobicContact CD1-CG2 3.8Å; V206-D218 WeakPolarHBondContact O-CA 3.31Å; V206-V219 PolarHBondContact N-O 3.46Å; V206-V219 PolarHBondContact O-N 2.86Å; V206-F238 HydrophobicContact CG2-CB 3.9Å; V206-F238 HydrophobicContact CG2-CD1 3.71Å; V206-F238 HydrophobicContact CG2-CD2 3.99Å; V206-F238 HydrophobicContact CG2-CE1 4.16Å; V206-F238 HydrophobicContact CG2-CE2 4.42Å; V206-F238 HydrophobicContact CG2-CG 3.59Å; V206-F238 HydrophobicContact CG2-CZ 4.5Å; V206-L240 HydrophobicContact CG1-CD2 3.89Å; V206-F254 HydrophobicContact CG1-CB 3.94Å; V206-F254 HydrophobicContact CG1-CD2 3.79Å; V206-F254 HydrophobicContact CG1-CG 4.15Å; V206-I256 HydrophobicContact CG2-CG1 4.34Å
207R98.1Very high95.3Very high56 Ų5660.6 Ų60.621%0.21130%0.304CS..EExtended strand (participates in β ladder)trans-96.4119.9171.7179.3168.4-70.3-178-5.7108.7W213 F216 S217 D218 F254 C255 W266R207-W213 HydrophobicContact CG-CH2 4.31Å; R207-W213 HydrophobicContact CG-CZ3 3.86Å; R207-F216 HydrophobicContact CG-CB 3.92Å; R207-F216 HydrophobicContact CG-CD2 4.06Å; R207-F216 HydrophobicContact CG-CG 4.21Å; R207-S217 WeakPolarHBondContact CA-O 3.28Å; R207-D218 VanDerWaalsContact CB-OD1 3.23Å; R207-D218 WeakPolarHBondContact CB-OD1 3.36Å; R207-D218 VanDerWaalsContact CG-OD1 3.22Å; R207-D218 WeakPolarHBondContact CG-OD1 3.1Å; R207-D218 IonicContact CZ-OD1 3.61Å; R207-D218 IonicContact CZ-OD2 2.79Å; R207-D218 IonicContact NE-OD1 3.04Å; R207-D218 PolarHBondContact NE-OD1 3.43Å; R207-D218 IonicContact NE-OD2 2.77Å; R207-D218 IonicContact NH2-OD1 3.43Å; R207-D218 PolarHBondContact NH2-OD1 3.42Å; R207-D218 IonicContact NH2-OD2 3.89Å; R207-D218 PolarHBondContact NH2-OD2 3.28Å; R207-F254 CarbonylContact O-C 3.6Å; R207-F254 WeakPolarHBondContact O-CA 3.39Å; R207-F254 WeakPolarHBondContact O-CB 3.36Å; R207-C255 PolarHBondContact N-O 2.85Å; R207-C255 PolarHBondContact O-N 3.4Å; R207-W266 HydrophobicContact CB-CZ3 4.32Å
208V97.1Very high95.5Very high0 Ų060.1 Ų60.10%030%0.301CS..EExtended strand (participates in β ladder)trans-120.3144.5-178.961.60000110.8Y210 F216 S217 L240 F254V208-Y210 HydrophobicContact CG1-CE2 4.15Å; V208-Y210 HydrophobicContact CG2-CE1 3.89Å; V208-Y210 HydrophobicContact CG2-CE2 4.5Å; V208-F216 CarbonylContact O-C 3.59Å; V208-F216 VanDerWaalsContact O-CA 3.3Å; V208-F216 WeakPolarHBondContact O-CA 3.26Å; V208-S217 WeakPolarHBondContact CG1-OG 3.44Å; V208-S217 PolarHBondContact N-O 3.48Å; V208-S217 PolarHBondContact O-N 3.2Å; V208-L240 HydrophobicContact CB-CD2 4.49Å; V208-L240 HydrophobicContact CG1-CD2 4.48Å; V208-F254 HydrophobicContact CB-CB 4Å; V208-F254 HydrophobicContact CG2-CB 4.18Å
209T96.3Very high95.7Very high0 Ų059.5 Ų59.50%030%0.297CS..EExtended strand (participates in β ladder)trans-120.4148.8171.71650000109.9D211 S212 W213 T215 I252 E253T209-D211 PolarHBondContact OG1-N 3.2Å; T209-D211 PolarHBondContact OG1-OD1 3.24Å; T209-S212 PolarHBondContact OG1-N 3.43Å; T209-W213 HydrophobicContact CG2-CD2 3.51Å; T209-W213 VanDerWaalsContact CG2-CE2 3.44Å; T209-W213 HydrophobicContact CG2-CE3 3.97Å; T209-W213 HydrophobicContact CG2-CG 3.84Å; T209-W213 HydrophobicContact CG2-CH2 4.23Å; T209-W213 HydrophobicContact CG2-CZ2 3.83Å; T209-W213 HydrophobicContact CG2-CZ3 4.31Å; T209-W213 PolarHBondContact OG1-N 3.43Å; T209-T215 WeakPolarHBondContact CB-O 3.24Å; T209-T215 PolarHBondContact OG1-O 3.05Å; T209-I252 WeakPolarHBondContact O-CA 3.32Å; T209-E253 HydrophobicContact CG2-CB 4.04Å; T209-E253 VanDerWaalsContact CG2-O 3.24Å; T209-E253 WeakPolarHBondContact CG2-O 3.38Å; T209-E253 PolarHBondContact N-O 2.8Å; T209-E253 PolarHBondContact O-N 2.78Å
210Y93.9Very high96Very high47 Ų4764.4 Ų64.418%0.18432%0.322CS..SBendtrans-119.42.3173.3-49.5-76.8000112.9V208 L242 P243 T246 N250 I252V208-Y210 HydrophobicContact CG1-CE2 4.15Å; V208-Y210 HydrophobicContact CG2-CE1 3.89Å; V208-Y210 HydrophobicContact CG2-CE2 4.5Å; Y210-L242 HydrophobicContact CE1-CD2 3.72Å; Y210-P243 VanDerWaalsContact CD1-CD 3.47Å; Y210-P243 HydrophobicContact CD1-CG 3.77Å; Y210-P243 HydrophobicContact CD2-CG 4.15Å; Y210-P243 HydrophobicContact CE1-CG 3.87Å; Y210-P243 HydrophobicContact CE2-CG 4.24Å; Y210-P243 HydrophobicContact CG-CG 3.9Å; Y210-T246 VanDerWaalsContact O-CG2 3.29Å; Y210-T246 WeakPolarHBondContact O-CG2 3.2Å; Y210-N250 VanDerWaalsContact O-CB 3.23Å; Y210-N250 WeakPolarHBondContact O-CB 3.48Å; Y210-N250 PolarHBondContact O-ND2 3.45Å; Y210-I252 HydrophobicContact CD1-CG2 4.04Å; Y210-I252 HydrophobicContact CE1-CG2 4.43Å
211D92.1Very high96.3Very high34 Ų3454.3 Ų54.318%0.18228%0.284CS..SBendtrans-139.535.4-171.765-0.3000113T209 V214 T215T209-D211 PolarHBondContact OG1-N 3.2Å; T209-D211 PolarHBondContact OG1-OD1 3.24Å; D211-V214 HydrophobicContact CB-CB 4.48Å; D211-V214 WeakPolarHBondContact O-CG2 3.09Å; D211-V214 PolarHBondContact OD1-N 2.99Å; D211-T215 VanDerWaalsContact CG-N 3.34Å; D211-T215 VanDerWaalsContact CG-OG1 3.23Å; D211-T215 PolarHBondContact OD1-N 3.23Å; D211-T215 PolarHBondContact OD1-OG1 3.48Å; D211-T215 WeakPolarHBondContact OD2-CB 3.31Å; D211-T215 WeakPolarHBondContact OD2-CG2 3.19Å; D211-T215 PolarHBondContact OD2-N 2.73Å; D211-T215 VanDerWaalsContact OD2-N 3.11Å; D211-T215 PolarHBondContact OD2-OG1 3.09Å
212S92.5Very high96.4Very high51 Ų5150 Ų5036%0.35727%0.273SS..THydrogen-bonded Turntrans6043.1179.2-49.10000114T209 V214 R251T209-S212 PolarHBondContact OG1-N 3.43Å; S212-V214 VanDerWaalsContact C-N 3.32Å; S212-V214 PolarHBondContact O-N 3.38Å; S212-R251 PolarHBondContact N-O 2.91Å; S212-R251 PolarHBondContact OG-N 3.45Å
213W94.1Very high96.4Very high84 Ų8453.4 Ų53.432%0.31829%0.288SS..THydrogen-bonded Turntrans69.119.2177.4-60.797.8000115.4R207 T209 E253 C255 N273R207-W213 HydrophobicContact CG-CH2 4.31Å; R207-W213 HydrophobicContact CG-CZ3 3.86Å; T209-W213 HydrophobicContact CG2-CD2 3.51Å; T209-W213 VanDerWaalsContact CG2-CE2 3.44Å; T209-W213 HydrophobicContact CG2-CE3 3.97Å; T209-W213 HydrophobicContact CG2-CG 3.84Å; T209-W213 HydrophobicContact CG2-CH2 4.23Å; T209-W213 HydrophobicContact CG2-CZ2 3.83Å; T209-W213 HydrophobicContact CG2-CZ3 4.31Å; T209-W213 PolarHBondContact OG1-N 3.43Å; W213-E253 HydrophobicContact CZ2-CB 4.26Å; W213-E253 PolarHBondContact NE1-OE2 2.79Å; W213-C255 HydrophobicContact CH2-CB 4.45Å; W213-C255 VanDerWaalsContact CH2-SG 3.57Å; W213-N273 HydrophobicContact CZ2-CB 4.47Å; W213-N273 WeakPolarHBondContact CZ2-ND2 3.42Å; W213-N273 PolarHBondContact NE1-ND2 3.29Å
214V93.3Very high96.2Very high118 Ų11854.7 Ų54.772%0.71529%0.291SS*.SBendtrans-73.5-41.8170.2175.90000109.8D211 S212D211-V214 HydrophobicContact CB-CB 4.48Å; D211-V214 WeakPolarHBondContact O-CG2 3.09Å; D211-V214 PolarHBondContact OD1-N 2.99Å; S212-V214 VanDerWaalsContact C-N 3.32Å; S212-V214 PolarHBondContact O-N 3.38Å
215T95.4Very high95.7Very high80 Ų8060.5 Ų60.549%0.49132%0.322SS..SBendtrans-126.9157.1170.765.60000110.5T209 D211T209-T215 WeakPolarHBondContact CB-O 3.24Å; T209-T215 PolarHBondContact OG1-O 3.05Å; D211-T215 VanDerWaalsContact CG-N 3.34Å; D211-T215 VanDerWaalsContact CG-OG1 3.23Å; D211-T215 PolarHBondContact OD1-N 3.23Å; D211-T215 PolarHBondContact OD1-OG1 3.48Å; D211-T215 WeakPolarHBondContact OD2-CB 3.31Å; D211-T215 WeakPolarHBondContact OD2-CG2 3.19Å; D211-T215 PolarHBondContact OD2-N 2.73Å; D211-T215 VanDerWaalsContact OD2-N 3.11Å; D211-T215 PolarHBondContact OD2-OG1 3.09Å
216F96.6Very high94.8Very high115 Ų11562.9 Ų62.950%0.50434%0.335SS..  trans-142.9152.2176.762.4-94.4000110.6R207 V208R207-F216 HydrophobicContact CG-CB 3.92Å; R207-F216 HydrophobicContact CG-CD2 4.06Å; R207-F216 HydrophobicContact CG-CG 4.21Å; V208-F216 CarbonylContact O-C 3.59Å; V208-F216 VanDerWaalsContact O-CA 3.3Å; V208-F216 WeakPolarHBondContact O-CA 3.26Å
217S96.8Very high93.6Very high44 Ų4468.4 Ų68.431%0.30837%0.369SS..EExtended strand (participates in β ladder)trans-123.3137.2170.255.40000109.9R207 V208R207-S217 WeakPolarHBondContact CA-O 3.28Å; V208-S217 WeakPolarHBondContact CG1-OG 3.44Å; V208-S217 PolarHBondContact N-O 3.48Å; V208-S217 PolarHBondContact O-N 3.2Å
218D97.8Very high92.5Very high61 Ų6176 Ų7633%0.32640%0.399SS..EExtended strand (participates in β ladder)trans-100.3128.1176.2-67.8-24000109.3V206 R207V206-D218 WeakPolarHBondContact O-CA 3.31Å; R207-D218 VanDerWaalsContact CB-OD1 3.23Å; R207-D218 WeakPolarHBondContact CB-OD1 3.36Å; R207-D218 VanDerWaalsContact CG-OD1 3.22Å; R207-D218 WeakPolarHBondContact CG-OD1 3.1Å; R207-D218 IonicContact CZ-OD1 3.61Å; R207-D218 IonicContact CZ-OD2 2.79Å; R207-D218 IonicContact NE-OD1 3.04Å; R207-D218 PolarHBondContact NE-OD1 3.43Å; R207-D218 IonicContact NE-OD2 2.77Å; R207-D218 IonicContact NH2-OD1 3.43Å; R207-D218 PolarHBondContact NH2-OD1 3.42Å; R207-D218 IonicContact NH2-OD2 3.89Å; R207-D218 PolarHBondContact NH2-OD2 3.28Å
219V97.6Very high91.3Very high38 Ų3877.4 Ų77.423%0.2341%0.414CS..EExtended strand (participates in β ladder)trans-114.7123.3178.6-178.20000108.6Q205 V206 L240Q205-V219 CarbonylContact C-O 3.59Å; Q205-V219 VanDerWaalsContact CA-O 3.24Å; Q205-V219 WeakPolarHBondContact CA-O 3.48Å; V206-V219 PolarHBondContact N-O 3.46Å; V206-V219 PolarHBondContact O-N 2.86Å; V219-L240 HydrophobicContact CG2-CB 4.23Å
220D97.9Very high90.4Very high113 Ų11380.8 Ų80.860%0.60444%0.436SS*.EExtended strand (participates in β ladder)trans-71.8136.9178.2-69.5-39.2000111.6Q205Q205-D220 WeakPolarHBondContact CG-OD1 3.25Å; Q205-D220 PolarHBondContact NE2-OD1 3.12Å
221C98.1Very high89.9Confident16 Ų1686.8 Ų86.811%0.10847%0.466CS..PPolyproline II helixtrans-93.6145.3177.7-52.80000111.2V204 F236 A237V204-C221 HydrophobicContact CB-CB 3.99Å; V204-C221 HydrophobicContact CG1-CB 4.04Å; V204-C221 WeakPolarHBondContact O-CB 3.19Å; V204-C221 PolarHBondContact O-N 3.02Å; V204-C221 PolarHBondContact O-SG 3.29Å; C221-F236 HydrophobicContact CB-CB 3.95Å; C221-F236 HydrophobicContact CB-CD1 4.24Å; C221-A237 CarbonylContact C-O 3.49Å; C221-A237 VanDerWaalsContact CA-O 3.31Å; C221-A237 WeakPolarHBondContact CA-O 3.24Å; C221-A237 WeakPolarHBondContact CB-O 3.48Å
222S97.4Very high89.7Confident81 Ų8190.6 Ų90.657%0.56649%0.487SS*.EExtended strand (participates in β ladder)trans-92.4132.5177.1-64.60000111.4L224 F236 A237S222-L224 PolarHBondContact O-N 3.02Å; S222-F236 CarbonylContact O-C 3.5Å; S222-F236 VanDerWaalsContact O-CA 3.25Å; S222-F236 WeakPolarHBondContact O-CA 3.36Å; S222-A237 PolarHBondContact N-O 3.47Å; S222-A237 PolarHBondContact O-N 3.02Å
223F96.2Very high89.8Confident105 Ų10589.6 Ų89.646%0.46148%0.478SS..EExtended strand (participates in β ladder)trans-66.6129.7174.1173.9-110.7000111N225 D234 F236F223-N225 HydrophobicContact CE1-CB 3.92Å; F223-D234 HydrophobicContact CD2-CB 4.29Å; F223-D234 HydrophobicContact CE2-CB 3.79Å; F223-F236 HydrophobicContact CB-CD1 4.1Å; F223-F236 HydrophobicContact CB-CE1 3.7Å; F223-F236 HydrophobicContact CB-CZ 4.07Å; F223-F236 HydrophobicContact CD2-CD2 4.43Å; F223-F236 HydrophobicContact CD2-CE1 4.31Å; F223-F236 AromaticContact CD2-CE2 3.93Å; F223-F236 HydrophobicContact CD2-CE2 3.93Å; F223-F236 AromaticContact CD2-CZ 3.86Å; F223-F236 HydrophobicContact CD2-CZ 3.86Å; F223-F236 HydrophobicContact CG-CE1 4.49Å; F223-F236 HydrophobicContact CG-CZ 4.4Å
224L93.4Very high89.9Confident75 Ų7586.8 Ų86.839%0.39347%0.47SS..EExtended strand (participates in β ladder)trans-102110.5173.4-68.8-174.9000109.9T192 S222 N226 T235 A237T192-L224 HydrophobicContact CG2-CD1 4.19Å; S222-L224 PolarHBondContact O-N 3.02Å; L224-N226 PolarHBondContact O-N 3.46Å; L224-T235 HydrophobicContact CD1-CG2 4.35Å; L224-T235 PolarHBondContact N-O 3.24Å; L224-A237 HydrophobicContact CD1-CB 3.65Å; L224-A237 HydrophobicContact CD2-CB 4.17Å; L224-A237 HydrophobicContact CG-CB 3.81Å
225N87.6Confident90Very high125 Ų12581.7 Ų81.767%0.66844%0.439SS*.  trans-72.598.3173.5-175.434.9000110.4F223F223-N225 HydrophobicContact CE1-CB 3.92Å
226N80.7Confident90.1Very high78 Ų7878.5 Ų78.542%0.41742%0.418SS..  trans-95105.4175-171.7-1.7000110.4L224 Y228 G229L224-N226 PolarHBondContact O-N 3.46Å; N226-Y228 PolarHBondContact O-N 3.04Å; N226-Y228 VanDerWaalsContact O-N 3.15Å; N226-Y228 PolarHBondContact OD1-N 3.28Å; N226-Y228 VanDerWaalsContact OD1-N 3.08Å; N226-G229 PolarHBondContact O-N 3.04Å
227V73.8Confident90.2Very high116 Ų11674.2 Ų74.270%0.70340%0.404SS*.THydrogen-bonded Turntrans-60.4-24.8179-176.90000112.3
228Y74.7Confident90.3Very high214 Ų21472.5 Ų72.584%0.83939%0.391SS*.THydrogen-bonded Turntrans-103.112.7177.3-54.3-74000112.7N226N226-Y228 PolarHBondContact O-N 3.04Å; N226-Y228 VanDerWaalsContact O-N 3.15Å; N226-Y228 PolarHBondContact OD1-N 3.28Å; N226-Y228 VanDerWaalsContact OD1-N 3.08Å
229G70.8Confident90.2Very high30 Ų3076 Ų7631%0.30941%0.405SS..SBendtrans-72.8160.3-179.600000113.6N226N226-G229 PolarHBondContact O-N 3.04Å
230C77.5Confident90.1Very high71 Ų7174.6 Ų74.648%0.4840%0.396SS..  trans-72.5133.6169.6-178.40000109.7D232 T233C230-D232 PolarHBondContact O-N 3.42Å; C230-D232 VanDerWaalsContact O-N 3.15Å; C230-T233 PolarHBondContact O-N 3.31Å; C230-T233 VanDerWaalsContact O-N 3.15Å
231Q82.8Confident89.9Confident173 Ų17375.4 Ų75.481%0.80840%0.396SS*.THydrogen-bonded Turntrans-62.5-23.1-178.4-64.4-173.8-000113.5N197 T233N197-Q231 PolarHBondContact ND2-O 2.97Å; Q231-T233 VanDerWaalsContact C-N 3.31Å
232D89.8Confident89.6Confident115 Ų11574.7 Ų74.762%0.61539%0.392SS*.THydrogen-bonded Turntrans-82.9-7.7-178.1-59.6-36.1000113.3N197 C230N197-D232 PolarHBondContact N-O 3.24Å; C230-D232 PolarHBondContact O-N 3.42Å; C230-D232 VanDerWaalsContact O-N 3.15Å
233T94.3Very high89.3Confident29 Ų2973.4 Ų73.418%0.17838%0.381CS..EExtended strand (participates in β ladder)trans-140134.9-175.262.80000112.4L172 V195 C230 Q231L172-T233 HydrophobicContact CD2-CG2 3.79Å; V195-T233 CarbonylContact O-C 3.52Å; V195-T233 WeakPolarHBondContact O-CA 3.48Å; C230-T233 PolarHBondContact O-N 3.31Å; C230-T233 VanDerWaalsContact O-N 3.15Å; Q231-T233 VanDerWaalsContact C-N 3.31Å
234D95.2Very high88.6Confident26 Ų2672.2 Ų72.214%0.13939%0.391CS..EExtended strand (participates in β ladder)trans-100.4154.3171.8-69.6-33.8000110.8K194 V195 N197 K202 F223 F236K194-D234 WeakPolarHBondContact CA-O 3.39Å; V195-D234 HydrophobicContact CG2-CB 3.79Å; V195-D234 PolarHBondContact N-O 3.42Å; V195-D234 PolarHBondContact O-N 3.37Å; N197-D234 PolarHBondContact OD1-OD2 3.42Å; K202-D234 WeakPolarHBondContact CE-OD2 3.15Å; K202-D234 IonicContact NZ-OD2 3.28Å; K202-D234 PolarHBondContact NZ-OD2 3.34Å; F223-D234 HydrophobicContact CD2-CB 4.29Å; F223-D234 HydrophobicContact CE2-CB 3.79Å; D234-F236 HydrophobicContact CB-CD2 4.44Å; D234-F236 HydrophobicContact CB-CE2 3.87Å
235T96.5Very high88Confident11 Ų1174.9 Ų74.97%0.06740%0.396CS..EExtended strand (participates in β ladder)trans-114.9132.8177.7-42.90000108.9I193 K194 L224I193-T235 CarbonylContact O-C 3.52Å; I193-T235 WeakPolarHBondContact O-CA 3.2Å; K194-T235 HydrophobicContact CD-CG2 4.22Å; K194-T235 WeakPolarHBondContact CD-OG1 3.24Å; K194-T235 WeakPolarHBondContact CE-OG1 3.5Å; K194-T235 PolarHBondContact NZ-OG1 3.34Å; L224-T235 HydrophobicContact CD1-CG2 4.35Å; L224-T235 PolarHBondContact N-O 3.24Å
236F97.6Very high87.7Confident13 Ų1369.3 Ų69.36%0.05737%0.367CS..EExtended strand (participates in β ladder)trans-121.4146.2174.5-73.4-103.3000108.9T192 I193 V195 K202 V204 C221 S222 F223 D234T192-F236 CarbonylContact C-O 3.5Å; T192-F236 VanDerWaalsContact CA-O 3.27Å; T192-F236 WeakPolarHBondContact CA-O 3.43Å; I193-F236 HydrophobicContact CB-CB 4.43Å; I193-F236 PolarHBondContact N-O 3.47Å; I193-F236 PolarHBondContact O-N 3.25Å; V195-F236 HydrophobicContact CG1-CD2 4.49Å; V195-F236 HydrophobicContact CG2-CD2 3.8Å; V195-F236 HydrophobicContact CG2-CE2 3.54Å; K202-F236 HydrophobicContact CB-CZ 3.9Å; K202-F236 HydrophobicContact CD-CE2 4.21Å; K202-F236 HydrophobicContact CD-CZ 4.28Å; V204-F236 HydrophobicContact CB-CB 4.38Å; V204-F236 HydrophobicContact CB-CD1 3.98Å; V204-F236 HydrophobicContact CB-CE1 4.42Å; V204-F236 HydrophobicContact CB-CG 4.05Å; V204-F236 HydrophobicContact CG1-CB 4.41Å; V204-F236 HydrophobicContact CG2-CB 4.47Å; V204-F236 HydrophobicContact CG2-CD1 3.87Å; V204-F236 HydrophobicContact CG2-CD2 3.76Å; V204-F236 HydrophobicContact CG2-CE1 3.99Å; V204-F236 HydrophobicContact CG2-CE2 3.9Å; V204-F236 HydrophobicContact CG2-CG 3.76Å; V204-F236 HydrophobicContact CG2-CZ 4.01Å; C221-F236 HydrophobicContact CB-CB 3.95Å; C221-F236 HydrophobicContact CB-CD1 4.24Å; S222-F236 CarbonylContact O-C 3.5Å; S222-F236 VanDerWaalsContact O-CA 3.25Å; S222-F236 WeakPolarHBondContact O-CA 3.36Å; F223-F236 HydrophobicContact CB-CD1 4.1Å; F223-F236 HydrophobicContact CB-CE1 3.7Å; F223-F236 HydrophobicContact CB-CZ 4.07Å; F223-F236 HydrophobicContact CD2-CD2 4.43Å; F223-F236 HydrophobicContact CD2-CE1 4.31Å; F223-F236 AromaticContact CD2-CE2 3.93Å; F223-F236 HydrophobicContact CD2-CE2 3.93Å; F223-F236 AromaticContact CD2-CZ 3.86Å; F223-F236 HydrophobicContact CD2-CZ 3.86Å; F223-F236 HydrophobicContact CG-CE1 4.49Å; F223-F236 HydrophobicContact CG-CZ 4.4Å; D234-F236 HydrophobicContact CB-CD2 4.44Å; D234-F236 HydrophobicContact CB-CE2 3.87Å
237A98Very high87.8Confident24 Ų2467.4 Ų67.420%0.19836%0.359CS..EExtended strand (participates in β ladder)trans-114147.8172.700000110.5G191 C221 S222 L224G191-A237 WeakPolarHBondContact O-CA 3.47Å; C221-A237 CarbonylContact C-O 3.49Å; C221-A237 VanDerWaalsContact CA-O 3.31Å; C221-A237 WeakPolarHBondContact CA-O 3.24Å; C221-A237 WeakPolarHBondContact CB-O 3.48Å; S222-A237 PolarHBondContact N-O 3.47Å; S222-A237 PolarHBondContact O-N 3.02Å; L224-A237 HydrophobicContact CD1-CB 3.65Å; L224-A237 HydrophobicContact CD2-CB 4.17Å; L224-A237 HydrophobicContact CG-CB 3.81Å
238F98Very high88.1Confident8 Ų863.5 Ų63.54%0.03534%0.336CS..EExtended strand (participates in β ladder)trans-128152.6170.368.4-87.8000109.7L179 L189 T190 G191 I193 V206 L240 F254L179-F238 HydrophobicContact CD1-CE1 3.78Å; L179-F238 HydrophobicContact CD1-CZ 4.21Å; L189-F238 HydrophobicContact CD2-CE2 4.39Å; L189-F238 HydrophobicContact CG-CE2 4.22Å; T190-F238 WeakPolarHBondContact CA-O 3.29Å; G191-F238 VanDerWaalsContact CA-CE1 3.47Å; G191-F238 PolarHBondContact N-O 3.15Å; G191-F238 VanDerWaalsContact N-O 3.14Å; G191-F238 WeakPolarHBondContact O-CD1 3.4Å; G191-F238 PolarHBondContact O-N 3.45Å; I193-F238 HydrophobicContact CD1-CD1 3.58Å; I193-F238 HydrophobicContact CD1-CE1 4.04Å; I193-F238 HydrophobicContact CG1-CD1 3.94Å; I193-F238 HydrophobicContact CG1-CE1 4.05Å; V206-F238 HydrophobicContact CG2-CB 3.9Å; V206-F238 HydrophobicContact CG2-CD1 3.71Å; V206-F238 HydrophobicContact CG2-CD2 3.99Å; V206-F238 HydrophobicContact CG2-CE1 4.16Å; V206-F238 HydrophobicContact CG2-CE2 4.42Å; V206-F238 HydrophobicContact CG2-CG 3.59Å; V206-F238 HydrophobicContact CG2-CZ 4.5Å; F238-L240 HydrophobicContact CD2-CD2 4.04Å; F238-L240 HydrophobicContact CE2-CD2 4.14Å; F238-F254 HydrophobicContact CZ-CE2 4.25Å; F238-F254 HydrophobicContact CZ-CZ 4.46Å
239E97.1Very high88.6Confident136 Ų13661 Ų6164%0.63633%0.332SS*.EExtended strand (participates in β ladder)trans-137.6128.3168.8178.6168-161.100106.6S188 L189 T190S188-E239 PolarHBondContact OG-OE1 3.35Å; S188-E239 VanDerWaalsContact OG-OE1 3.1Å; L189-E239 WeakPolarHBondContact O-CA 3.34Å; T190-E239 HydrophobicContact CG2-CB 4.08Å; T190-E239 HydrophobicContact CG2-CG 3.84Å
240L95.2Very high89.4Confident8 Ų861.5 Ų61.54%0.04233%0.328CS..EExtended strand (participates in β ladder)trans-135.3138.7176.267.689.4000110.2L189 V206 V208 V219 F238 L242L189-L240 HydrophobicContact CB-CD1 3.67Å; L189-L240 HydrophobicContact CB-CG 3.84Å; L189-L240 HydrophobicContact CD2-CD1 3.85Å; L189-L240 HydrophobicContact CD2-CD2 3.98Å; L189-L240 HydrophobicContact CD2-CG 4.04Å; L189-L240 HydrophobicContact CG-CD1 4.34Å; L189-L240 HydrophobicContact CG-CG 4.34Å; L189-L240 PolarHBondContact N-O 3.38Å; L189-L240 PolarHBondContact O-N 3.04Å; V206-L240 HydrophobicContact CG1-CD2 3.89Å; V208-L240 HydrophobicContact CB-CD2 4.49Å; V208-L240 HydrophobicContact CG1-CD2 4.48Å; V219-L240 HydrophobicContact CG2-CB 4.23Å; F238-L240 HydrophobicContact CD2-CD2 4.04Å; F238-L240 HydrophobicContact CE2-CD2 4.14Å; L240-L242 HydrophobicContact CD1-CD2 3.45Å; L240-L242 VanDerWaalsContact CD1-CD2 3.45Å; L240-L242 HydrophobicContact CD1-CG 4.18Å
241E93.9Very high90Very high129 Ų12966 Ų6660%0.60334%0.335SS*.EExtended strand (participates in β ladder)trans-93.7124.5176.5-166.7-179.9166.100109.5R187R187-E241 IonicContact CZ-OE1 3.04Å; R187-E241 IonicContact NH1-OE1 3.93Å; R187-E241 PolarHBondContact NH1-OE1 2.94Å; R187-E241 IonicContact NH2-OE1 3.76Å; R187-E241 PolarHBondContact NH2-OE1 3.25Å
242L91.9Very high90.5Very high2 Ų257.9 Ų57.91%0.0130%0.297CS..PPolyproline II helixtrans-78.8143.6176.7-58.6176.4000110.4L154 L184 R187 L189 Y210 L240 I252 L276L154-L242 HydrophobicContact CD1-CD1 3.69Å; L184-L242 HydrophobicContact CD1-CD1 3.61Å; L184-L242 HydrophobicContact CD2-CD1 4.38Å; R187-L242 HydrophobicContact CB-CB 4.4Å; R187-L242 PolarHBondContact NH1-O 2.73Å; R187-L242 PolarHBondContact O-N 3.49Å; L189-L242 HydrophobicContact CB-CG 4.49Å; Y210-L242 HydrophobicContact CE1-CD2 3.72Å; L240-L242 HydrophobicContact CD1-CD2 3.45Å; L240-L242 VanDerWaalsContact CD1-CD2 3.45Å; L240-L242 HydrophobicContact CD1-CG 4.18Å; L242-I252 HydrophobicContact CD2-CG2 4.45Å; L242-L276 HydrophobicContact CD1-CD2 3.56Å; L242-L276 HydrophobicContact CD2-CD2 4.28Å
243P89.4Confident90.8Very high53 Ų5353.3 Ų53.334%0.34427%0.272SS..PPolyproline II helixtrans-53.1144.4173.6-25.633.1000112.1Y210 Y245Y210-P243 VanDerWaalsContact CD1-CD 3.47Å; Y210-P243 HydrophobicContact CD1-CG 3.77Å; Y210-P243 HydrophobicContact CD2-CG 4.15Å; Y210-P243 HydrophobicContact CE1-CG 3.87Å; Y210-P243 HydrophobicContact CE2-CG 4.24Å; Y210-P243 HydrophobicContact CG-CG 3.9Å; P243-Y245 PolarHBondContact O-N 3.23Å
244A81.6Confident91Very high80 Ų8052 Ų5266%0.66126%0.263SS*.SBendtrans-60.2-28.2179.600000113.2
245Y81.2Confident91.1Very high131 Ų13151 Ų5151%0.51426%0.259SS..  trans-140.4125.9175.7178.9-102.6000109.9P243 P247P243-Y245 PolarHBondContact O-N 3.23Å; Y245-P247 HydrophobicContact CE1-CG 4.1Å
246T82.2Confident91.2Very high9 Ų950.5 Ų50.56%0.05526%0.256CS..  trans-121.6131.1166.9-56.60000107.8Y210 N250 I252Y210-T246 VanDerWaalsContact O-CG2 3.29Å; Y210-T246 WeakPolarHBondContact O-CG2 3.2Å; T246-N250 HydrophobicContact CG2-CB 4.09Å; T246-I252 HydrophobicContact CG2-CD1 3.83Å; T246-I252 HydrophobicContact CG2-CG1 3.77Å
247P83.1Confident91.2Very high37 Ų3750 Ų5024%0.2425%0.253CS..  trans-56.4130.2173.9-25.234.5000110.3Y245 Q249 N250Y245-P247 HydrophobicContact CE1-CG 4.1Å; P247-Q249 HydrophobicContact CB-CG 3.96Å; P247-Q249 PolarHBondContact O-N 2.87Å; P247-Q249 VanDerWaalsContact O-N 3.11Å; P247-N250 VanDerWaalsContact O-CB 3.27Å; P247-N250 WeakPolarHBondContact O-CB 3.08Å; P247-N250 PolarHBondContact O-N 2.94Å
248P80.1Confident91.2Very high34 Ų3448.9 Ų48.922%0.22124%0.244CC..THydrogen-bonded Turntrans-68.6-13.5-174.78.6-11.4000114.6N250 W281P248-N250 VanDerWaalsContact C-N 3.27Å; P248-W281 HydrophobicContact CB-CD2 3.76Å; P248-W281 HydrophobicContact CB-CE3 3.91Å; P248-W281 HydrophobicContact CB-CG 4.36Å; P248-W281 HydrophobicContact CB-CH2 4.15Å; P248-W281 HydrophobicContact CB-CZ2 3.96Å; P248-W281 HydrophobicContact CB-CZ3 4.13Å; P248-W281 HydrophobicContact CG-CD2 3.74Å; P248-W281 HydrophobicContact CG-CE3 3.52Å; P248-W281 HydrophobicContact CG-CH2 3.08Å; P248-W281 HydrophobicContact CG-CZ2 3.26Å; P248-W281 HydrophobicContact CG-CZ3 3.22Å
249Q83.8Confident91.2Very high161 Ų16152.3 Ų52.375%0.75226%0.259SS*.THydrogen-bonded Turntrans-72.1-22.1168.667.4-146.326.800112.9P247P247-Q249 HydrophobicContact CB-CG 3.96Å; P247-Q249 PolarHBondContact O-N 2.87Å; P247-Q249 VanDerWaalsContact O-N 3.11Å
250N88.1Confident91.2Very high42 Ų4246 Ų4623%0.22523%0.23CC..SBendtrans-85.1140.6179.2-67.14.8000109.9Y210 T246 P247 P248Y210-N250 VanDerWaalsContact O-CB 3.23Å; Y210-N250 WeakPolarHBondContact O-CB 3.48Å; Y210-N250 PolarHBondContact O-ND2 3.45Å; T246-N250 HydrophobicContact CG2-CB 4.09Å; P247-N250 VanDerWaalsContact O-CB 3.27Å; P247-N250 WeakPolarHBondContact O-CB 3.08Å; P247-N250 PolarHBondContact O-N 2.94Å; P248-N250 VanDerWaalsContact C-N 3.27Å
251R90.1Very high91.2Very high166 Ų16652.5 Ų52.563%0.62626%0.26SS*.PPolyproline II helixtrans-89.2125.8173.7-62.6-173.2178.1-155.7-0.1109.8S212 E253S212-R251 PolarHBondContact N-O 2.91Å; S212-R251 PolarHBondContact OG-N 3.45Å; R251-E253 HydrophobicContact CB-CG 4.2Å; R251-E253 WeakPolarHBondContact CD-OE1 3.25Å; R251-E253 IonicContact NH1-OE1 3.62Å
252I93.8Very high91.2Very high2 Ų250.1 Ų50.11%0.0127%0.27CS..EExtended strand (participates in β ladder)trans-95116169.5-53.1172.5000106.7L154 T209 Y210 L242 T246 L276L154-I252 HydrophobicContact CD1-CD1 3.67Å; L154-I252 HydrophobicContact CD2-CD1 3.9Å; L154-I252 HydrophobicContact CG-CD1 4.48Å; T209-I252 WeakPolarHBondContact O-CA 3.32Å; Y210-I252 HydrophobicContact CD1-CG2 4.04Å; Y210-I252 HydrophobicContact CE1-CG2 4.43Å; L242-I252 HydrophobicContact CD2-CG2 4.45Å; T246-I252 HydrophobicContact CG2-CD1 3.83Å; T246-I252 HydrophobicContact CG2-CG1 3.77Å; I252-L276 HydrophobicContact CB-CB 4.12Å; I252-L276 HydrophobicContact CG2-CB 4.2Å; I252-L276 HydrophobicContact CG2-CD1 4.15Å; I252-L276 HydrophobicContact CG2-CD2 4.25Å; I252-L276 HydrophobicContact CG2-CG 4.44Å; I252-L276 PolarHBondContact O-N 3.49Å
253E96.1Very high91.4Very high19 Ų1955.6 Ų55.69%0.08930%0.295CS..EExtended strand (participates in β ladder)trans-143153.3-178-58-179.8-179.500109.1T209 W213 R251 N273 Y274 P275T209-E253 HydrophobicContact CG2-CB 4.04Å; T209-E253 VanDerWaalsContact CG2-O 3.24Å; T209-E253 WeakPolarHBondContact CG2-O 3.38Å; T209-E253 PolarHBondContact N-O 2.8Å; T209-E253 PolarHBondContact O-N 2.78Å; W213-E253 HydrophobicContact CZ2-CB 4.26Å; W213-E253 PolarHBondContact NE1-OE2 2.79Å; R251-E253 HydrophobicContact CB-CG 4.2Å; R251-E253 WeakPolarHBondContact CD-OE1 3.25Å; R251-E253 IonicContact NH1-OE1 3.62Å; E253-N273 HydrophobicContact CB-CB 4.18Å; E253-N273 PolarHBondContact OE2-ND2 3.13Å; E253-Y274 WeakPolarHBondContact CA-O 3.44Å; E253-P275 HydrophobicContact CG-CB 4.14Å
254F97.7Very high91.8Very high0 Ų056.4 Ų56.40%030%0.3CS..EExtended strand (participates in β ladder)trans-136.5160.8170.969.8-86.4000112.2F158 L179 L189 V206 R207 V208 F238 Y274 L276F158-F254 HydrophobicContact CE1-CE1 4.18Å; F158-F254 HydrophobicContact CE1-CZ 4.38Å; F158-F254 HydrophobicContact CZ-CE1 4.34Å; F158-F254 HydrophobicContact CZ-CZ 4.11Å; L179-F254 HydrophobicContact CD1-CE2 4.45Å; L179-F254 HydrophobicContact CD2-CE2 4.21Å; L179-F254 HydrophobicContact CD2-CZ 4.12Å; L189-F254 HydrophobicContact CD2-CD1 3.91Å; L189-F254 HydrophobicContact CD2-CE1 3.79Å; L189-F254 HydrophobicContact CD2-CZ 4.47Å; V206-F254 HydrophobicContact CG1-CB 3.94Å; V206-F254 HydrophobicContact CG1-CD2 3.79Å; V206-F254 HydrophobicContact CG1-CG 4.15Å; R207-F254 CarbonylContact O-C 3.6Å; R207-F254 WeakPolarHBondContact O-CA 3.39Å; R207-F254 WeakPolarHBondContact O-CB 3.36Å; V208-F254 HydrophobicContact CB-CB 4Å; V208-F254 HydrophobicContact CG2-CB 4.18Å; F238-F254 HydrophobicContact CZ-CE2 4.25Å; F238-F254 HydrophobicContact CZ-CZ 4.46Å; F254-Y274 WeakPolarHBondContact CD1-O 3.5Å; F254-Y274 AromaticContact CD2-CD2 3.97Å; F254-Y274 HydrophobicContact CD2-CD2 3.97Å; F254-Y274 HydrophobicContact CD2-CG 4.33Å; F254-Y274 HydrophobicContact CE1-CG 4.26Å; F254-Y274 AromaticContact CE2-CD2 3.64Å; F254-Y274 HydrophobicContact CE2-CD2 3.64Å; F254-Y274 AromaticContact CE2-CG 3.8Å; F254-Y274 HydrophobicContact CE2-CG 3.8Å; F254-Y274 HydrophobicContact CZ-CD2 4.12Å; F254-Y274 AromaticContact CZ-CG 3.76Å; F254-Y274 HydrophobicContact CZ-CG 3.76Å; F254-Y274 PolarHBondContact N-O 2.92Å; F254-Y274 VanDerWaalsContact N-O 3.1Å; F254-Y274 WeakPolarHBondContact O-CB 3.47Å; F254-Y274 WeakPolarHBondContact O-CD2 3.17Å; F254-Y274 PolarHBondContact O-N 2.96Å; F254-L276 HydrophobicContact CD1-CD1 3.87Å; F254-L276 HydrophobicContact CE1-CD1 4Å
255C97.8Very high92.6Very high7 Ų756 Ų565%0.04728%0.282CS..EExtended strand (participates in β ladder)trans-141.5168.2170.666.30000109.7R207 W213 D267 N268R207-C255 PolarHBondContact N-O 2.85Å; R207-C255 PolarHBondContact O-N 3.4Å; W213-C255 HydrophobicContact CH2-CB 4.45Å; W213-C255 VanDerWaalsContact CH2-SG 3.57Å; C255-D267 WeakPolarHBondContact CB-O 3.44Å; C255-N268 HydrophobicContact CB-CB 4.23Å
256I98.4Very high93.4Very high0 Ų054.2 Ų54.20%027%0.274CS..EExtended strand (participates in β ladder)trans-114.2132.8-175.3-58.4154.2000109.6V177 L179 I193 V204 V206 W266 D267 Y274V177-I256 HydrophobicContact CG2-CB 4.34Å; V177-I256 HydrophobicContact CG2-CG2 3.6Å; L179-I256 HydrophobicContact CB-CD1 3.55Å; L179-I256 HydrophobicContact CD1-CD1 4.05Å; L179-I256 HydrophobicContact CG-CD1 4.38Å; I193-I256 HydrophobicContact CD1-CD1 4.03Å; I193-I256 HydrophobicContact CD1-CG1 3.98Å; I193-I256 HydrophobicContact CD1-CG2 3.94Å; I193-I256 HydrophobicContact CG1-CD1 3.81Å; I193-I256 HydrophobicContact CG1-CG1 4.32Å; I193-I256 HydrophobicContact CG2-CD1 4.23Å; I193-I256 HydrophobicContact CG2-CG2 4Å; V204-I256 HydrophobicContact CG1-CG2 3.96Å; V206-I256 HydrophobicContact CG2-CG1 4.34Å; I256-W266 WeakPolarHBondContact O-CA 3.39Å; I256-D267 HydrophobicContact CB-CB 4.23Å; I256-D267 HydrophobicContact CD1-CB 4.45Å; I256-D267 PolarHBondContact N-O 3.22Å; I256-D267 PolarHBondContact O-N 3.45Å; I256-Y274 HydrophobicContact CD1-CE2 4.36Å
257C98.2Very high94.1Very high2 Ų253.9 Ų53.91%0.01427%0.272CS..EExtended strand (participates in β ladder)trans-107.7127.1171.9-177.70000109.5V204 Q205 T264 W266V204-C257 CarbonylContact C-O 3.51Å; V204-C257 WeakPolarHBondContact CA-O 3.17Å; Q205-C257 HydrophobicContact CB-CB 4.41Å; Q205-C257 PolarHBondContact N-O 2.84Å; Q205-C257 PolarHBondContact O-N 3.33Å; C257-T264 VanDerWaalsContact SG-CG2 3.55Å; C257-W266 HydrophobicContact CB-CD2 4.32Å; C257-W266 HydrophobicContact CB-CE3 3.92Å; C257-W266 HydrophobicContact CB-CH2 3.6Å; C257-W266 HydrophobicContact CB-CZ2 4.01Å; C257-W266 HydrophobicContact CB-CZ3 3.55Å
258F98.3Very high94.7Very high0 Ų055.2 Ų55.20%028%0.277CS..EExtended strand (participates in β ladder)trans-119.7120.3173.1169.1-137.4000110.2C176 V177 V195 V198 K202 V204 V260 T264 Y265C176-F258 HydrophobicContact CB-CD1 4.25Å; C176-F258 HydrophobicContact CB-CE1 4.18Å; V177-F258 HydrophobicContact CB-CB 3.76Å; V177-F258 HydrophobicContact CB-CD1 4.13Å; V177-F258 HydrophobicContact CB-CG 4.31Å; V177-F258 HydrophobicContact CG1-CB 3.92Å; V177-F258 HydrophobicContact CG2-CB 4.03Å; V195-F258 HydrophobicContact CB-CD1 4.15Å; V195-F258 HydrophobicContact CB-CD2 4.37Å; V195-F258 HydrophobicContact CB-CE1 4.01Å; V195-F258 HydrophobicContact CB-CE2 4.25Å; V195-F258 HydrophobicContact CB-CG 4.32Å; V195-F258 HydrophobicContact CB-CZ 4.05Å; V195-F258 HydrophobicContact CG1-CB 4.32Å; V195-F258 HydrophobicContact CG1-CD1 4.15Å; V195-F258 HydrophobicContact CG1-CD2 4.05Å; V195-F258 HydrophobicContact CG1-CE1 4.48Å; V195-F258 HydrophobicContact CG1-CE2 4.4Å; V195-F258 HydrophobicContact CG1-CG 3.91Å; V195-F258 HydrophobicContact CG2-CE2 4.31Å; V195-F258 HydrophobicContact CG2-CZ 4.28Å; V198-F258 HydrophobicContact CG2-CZ 4.44Å; K202-F258 HydrophobicContact CB-CE2 3.9Å; K202-F258 HydrophobicContact CD-CE2 3.91Å; K202-F258 HydrophobicContact CD-CZ 4.07Å; K202-F258 HydrophobicContact CG-CE2 3.84Å; K202-F258 HydrophobicContact CG-CZ 4.25Å; V204-F258 HydrophobicContact CG2-CD2 3.79Å; V204-F258 HydrophobicContact CG2-CE2 4.43Å; F258-V260 HydrophobicContact CD1-CG1 4.42Å; F258-V260 HydrophobicContact CE1-CB 4.36Å; F258-V260 HydrophobicContact CE1-CG1 3.64Å; F258-V260 HydrophobicContact CE2-CB 3.71Å; F258-V260 HydrophobicContact CE2-CG1 3.9Å; F258-V260 HydrophobicContact CZ-CB 3.58Å; F258-V260 HydrophobicContact CZ-CG1 3.35Å; F258-V260 HydrophobicContact CZ-CG2 4.25Å; F258-T264 CarbonylContact O-C 3.52Å; F258-T264 WeakPolarHBondContact O-CA 3.41Å; F258-Y265 AromaticContact CD1-CD2 3.79Å; F258-Y265 HydrophobicContact CD1-CD2 3.79Å; F258-Y265 HydrophobicContact CD1-CG 4.32Å; F258-Y265 HydrophobicContact CE1-CD2 4.15Å; F258-Y265 PolarHBondContact N-O 3.38Å; F258-Y265 PolarHBondContact O-N 3.4Å
259K98.1Very high95.4Very high80 Ų8055 Ų5535%0.34827%0.274SS..EExtended strand (participates in β ladder)trans-113.3129.2178.2-64.2169-177.4154.80110.2S203 Q263 T264S203-K259 PolarHBondContact N-O 2.87Å; S203-K259 PolarHBondContact O-N 2.98Å; K259-Q263 VanDerWaalsContact CA-O 3.27Å; K259-Q263 WeakPolarHBondContact CA-O 3.06Å; K259-T264 HydrophobicContact CG-CG2 4.06Å
260V97.2Very high95.7Very high4 Ų453.5 Ų53.52%0.02427%0.267CS..EExtended strand (participates in β ladder)trans-154.7135.2178.558.90000109.7V198 K202 F258 G262 Q263 Y265V198-V260 HydrophobicContact CG2-CB 4.32Å; V198-V260 HydrophobicContact CG2-CG1 3.52Å; V198-V260 HydrophobicContact CG2-CG2 3.87Å; K202-V260 HydrophobicContact CG-CG2 4.27Å; F258-V260 HydrophobicContact CD1-CG1 4.42Å; F258-V260 HydrophobicContact CE1-CB 4.36Å; F258-V260 HydrophobicContact CE1-CG1 3.64Å; F258-V260 HydrophobicContact CE2-CB 3.71Å; F258-V260 HydrophobicContact CE2-CG1 3.9Å; F258-V260 HydrophobicContact CZ-CB 3.58Å; F258-V260 HydrophobicContact CZ-CG1 3.35Å; F258-V260 HydrophobicContact CZ-CG2 4.25Å; V260-G262 PolarHBondContact O-N 2.86Å; V260-G262 VanDerWaalsContact O-N 3.09Å; V260-Q263 PolarHBondContact N-O 3.31Å; V260-Q263 PolarHBondContact O-N 3.07Å; V260-Y265 HydrophobicContact CG1-CD2 4.21Å; V260-Y265 HydrophobicContact CG1-CE2 3.77Å
261Q94.8Very high95.8Very high145 Ų14554 Ų5468%0.67828%0.281SS*.THydrogen-bonded Turntrans50.237178.2-65.1172.71.900114V198 G199 Q263V198-Q261 PolarHBondContact O-NE2 2.97Å; G199-Q261 VanDerWaalsContact CA-NE2 3.27Å; Q261-Q263 PolarHBondContact O-N 2.88Å
262G93.7Very high95.9Very high78 Ų7853 Ų5380%0.80428%0.282SS*.THydrogen-bonded Turntrans77.7-3.1-178.300000115.5V260V260-G262 PolarHBondContact O-N 2.86Å; V260-G262 VanDerWaalsContact O-N 3.09Å
263Q96.3Very high96Very high117 Ų11754 Ų5455%0.54729%0.287SS..EExtended strand (participates in β ladder)trans-95.9147.9175.2-58.7-66.451.900111.4K259 V260 Q261 Y265K259-Q263 VanDerWaalsContact CA-O 3.27Å; K259-Q263 WeakPolarHBondContact CA-O 3.06Å; V260-Q263 PolarHBondContact N-O 3.31Å; V260-Q263 PolarHBondContact O-N 3.07Å; Q261-Q263 PolarHBondContact O-N 2.88Å; Q263-Y265 HydrophobicContact CB-CE2 3.83Å
264T97.5Very high96Very high71 Ų7153.1 Ų53.144%0.43628%0.283SS..EExtended strand (participates in β ladder)trans-120.7126.5178-54.40000110.3C257 F258 K259C257-T264 VanDerWaalsContact SG-CG2 3.55Å; F258-T264 CarbonylContact O-C 3.52Å; F258-T264 WeakPolarHBondContact O-CA 3.41Å; K259-T264 HydrophobicContact CG-CG2 4.06Å
265Y97.8Very high95.9Very high72 Ų7254.5 Ų54.528%0.28229%0.292SS..EExtended strand (participates in β ladder)trans-116.1143.9176.8-57.5-85.3000109.5N175 C176 F258 V260 Q263N175-Y265 WeakPolarHBondContact O-CB 3.17Å; C176-Y265 HydrophobicContact CB-CD1 3.9Å; C176-Y265 HydrophobicContact CB-CD2 4.16Å; C176-Y265 HydrophobicContact CB-CE1 4.13Å; C176-Y265 HydrophobicContact CB-CE2 4.38Å; C176-Y265 HydrophobicContact CB-CG 3.91Å; F258-Y265 AromaticContact CD1-CD2 3.79Å; F258-Y265 HydrophobicContact CD1-CD2 3.79Å; F258-Y265 HydrophobicContact CD1-CG 4.32Å; F258-Y265 HydrophobicContact CE1-CD2 4.15Å; F258-Y265 PolarHBondContact N-O 3.38Å; F258-Y265 PolarHBondContact O-N 3.4Å; V260-Y265 HydrophobicContact CG1-CD2 4.21Å; V260-Y265 HydrophobicContact CG1-CE2 3.77Å; Q263-Y265 HydrophobicContact CB-CE2 3.83Å
266W97.6Very high95.7Very high93 Ų9354.9 Ų54.935%0.35229%0.293SS..EExtended strand (participates in β ladder)trans-122.2135.4-179.6-71.392.5000110.6R207 I256 C257R207-W266 HydrophobicContact CB-CZ3 4.32Å; I256-W266 WeakPolarHBondContact O-CA 3.39Å; C257-W266 HydrophobicContact CB-CD2 4.32Å; C257-W266 HydrophobicContact CB-CE3 3.92Å; C257-W266 HydrophobicContact CB-CH2 3.6Å; C257-W266 HydrophobicContact CB-CZ2 4.01Å; C257-W266 HydrophobicContact CB-CZ3 3.55Å
267D97.7Very high95.2Very high2 Ų260.5 Ų60.51%0.01132%0.318CS..EExtended strand (participates in β ladder)trans-109.7101.2161179.321.1000109V177 S178 L179 C255 I256 N269 Y274V177-D267 HydrophobicContact CG1-CB 4.05Å; V177-D267 HydrophobicContact CG2-CB 4.34Å; S178-D267 WeakPolarHBondContact CA-OD2 3.4Å; L179-D267 PolarHBondContact N-OD2 3.12Å; C255-D267 WeakPolarHBondContact CB-O 3.44Å; I256-D267 HydrophobicContact CB-CB 4.23Å; I256-D267 HydrophobicContact CD1-CB 4.45Å; I256-D267 PolarHBondContact N-O 3.22Å; I256-D267 PolarHBondContact O-N 3.45Å; D267-N269 PolarHBondContact OD1-N 2.96Å; D267-N269 VanDerWaalsContact OD1-N 3.11Å; D267-Y274 PolarHBondContact OD1-OH 2.93Å; D267-Y274 PolarHBondContact OD2-OH 3.42Å
268N95.8Very high94.6Very high65 Ų6561.9 Ų61.935%0.34832%0.324SS..  trans-112.223.6176.666.9-9.1000111.3C255 E270 G271 K272 N273C255-N268 HydrophobicContact CB-CB 4.23Å; N268-E270 VanDerWaalsContact C-N 3.34Å; N268-E270 PolarHBondContact O-N 2.79Å; N268-G271 CarbonylContact O-C 3.58Å; N268-G271 PolarHBondContact O-N 2.7Å; N268-G271 PolarHBondContact OD1-N 3.38Å; N268-K272 PolarHBondContact O-N 3.29Å; N268-N273 WeakPolarHBondContact CB-OD1 3.38Å; N268-N273 WeakPolarHBondContact O-CA 3.31Å; N268-N273 PolarHBondContact O-N 3.37Å
269N94.1Very high93.4Very high30 Ų3068 Ų6816%0.1635%0.351CS..G310 helixtrans51.350.2178.7-16831.6000113D267 G271 K272 N273 Y274D267-N269 PolarHBondContact OD1-N 2.96Å; D267-N269 VanDerWaalsContact OD1-N 3.11Å; N269-G271 VanDerWaalsContact C-N 3.25Å; N269-G271 PolarHBondContact O-N 3.48Å; N269-K272 WeakPolarHBondContact O-CB 3.3Å; N269-K272 PolarHBondContact O-N 3.41Å; N269-K272 VanDerWaalsContact O-N 3.13Å; N269-N273 WeakPolarHBondContact CB-O 3.38Å; N269-N273 PolarHBondContact ND2-O 3.29Å; N269-Y274 HydrophobicContact CB-CD1 4.37Å; N269-Y274 HydrophobicContact CB-CE1 3.9Å; N269-Y274 HydrophobicContact CB-CE2 4.16Å
270E90.5Very high91.7Very high128 Ų12866.5 Ų66.560%0.59836%0.358SS*.G310 helixtrans58.833.3-177.5-51.4-174.6150.200114N268N268-E270 VanDerWaalsContact C-N 3.34Å; N268-E270 PolarHBondContact O-N 2.79Å
271G90.7Very high89.7Confident52 Ų5271.9 Ų71.954%0.53638%0.378SS..G310 helixtrans85.72-179.600000114.8N268 N269N268-G271 CarbonylContact O-C 3.58Å; N268-G271 PolarHBondContact O-N 2.7Å; N268-G271 PolarHBondContact OD1-N 3.38Å; N269-G271 VanDerWaalsContact C-N 3.25Å; N269-G271 PolarHBondContact O-N 3.48Å
272K91.1Very high87.5Confident145 Ų14568.2 Ų68.263%0.6337%0.369SS*.THydrogen-bonded Turntrans-89.3-16.3175.9-62.5173.8-175.7163.40113.5N268 N269N268-K272 PolarHBondContact O-N 3.29Å; N269-K272 WeakPolarHBondContact O-CB 3.3Å; N269-K272 PolarHBondContact O-N 3.41Å; N269-K272 VanDerWaalsContact O-N 3.13Å
273N96.2Very high85.4Confident23 Ų2367.1 Ų67.112%0.12336%0.357CS..  trans55-170.7-167.6-56.5-37.9000112.7W213 E253 N268 N269 P275W213-N273 HydrophobicContact CZ2-CB 4.47Å; W213-N273 WeakPolarHBondContact CZ2-ND2 3.42Å; W213-N273 PolarHBondContact NE1-ND2 3.29Å; E253-N273 HydrophobicContact CB-CB 4.18Å; E253-N273 PolarHBondContact OE2-ND2 3.13Å; N268-N273 WeakPolarHBondContact CB-OD1 3.38Å; N268-N273 WeakPolarHBondContact O-CA 3.31Å; N268-N273 PolarHBondContact O-N 3.37Å; N269-N273 WeakPolarHBondContact CB-O 3.38Å; N269-N273 PolarHBondContact ND2-O 3.29Å; N273-P275 WeakPolarHBondContact O-CD 3.26Å
274Y96.9Very high83Confident1 Ų168.5 Ų68.50%0.00436%0.364CS..EExtended strand (participates in β ladder)trans-109.393.8174.9-64.2-71.5000110.3F158 P161 L179 E253 F254 I256 D267 N269F158-Y274 HydrophobicContact CD1-CD1 4.1Å; F158-Y274 AromaticContact CD2-CD1 3.69Å; F158-Y274 HydrophobicContact CD2-CD1 3.69Å; F158-Y274 HydrophobicContact CD2-CE1 4.19Å; F158-Y274 HydrophobicContact CE1-CD1 4.13Å; F158-Y274 HydrophobicContact CE1-CG 4.45Å; F158-Y274 AromaticContact CE2-CD1 3.74Å; F158-Y274 HydrophobicContact CE2-CD1 3.74Å; F158-Y274 HydrophobicContact CE2-CE1 4.3Å; F158-Y274 AromaticContact CG-CD1 3.88Å; F158-Y274 HydrophobicContact CG-CD1 3.88Å; F158-Y274 AromaticContact CZ-CD1 3.96Å; F158-Y274 HydrophobicContact CZ-CD1 3.96Å; F158-Y274 HydrophobicContact CZ-CG 4.44Å; P161-Y274 HydrophobicContact CG-CE1 4.21Å; L179-Y274 HydrophobicContact CB-CE1 4.23Å; L179-Y274 HydrophobicContact CB-CE2 3.96Å; L179-Y274 WeakPolarHBondContact CB-OH 3.46Å; L179-Y274 HydrophobicContact CD2-CD1 3.66Å; L179-Y274 HydrophobicContact CD2-CD2 4.2Å; L179-Y274 HydrophobicContact CD2-CE1 3.49Å; L179-Y274 VanDerWaalsContact CD2-CE1 3.49Å; L179-Y274 HydrophobicContact CD2-CE2 4.04Å; L179-Y274 HydrophobicContact CD2-CG 4.02Å; E253-Y274 WeakPolarHBondContact CA-O 3.44Å; F254-Y274 WeakPolarHBondContact CD1-O 3.5Å; F254-Y274 AromaticContact CD2-CD2 3.97Å; F254-Y274 HydrophobicContact CD2-CD2 3.97Å; F254-Y274 HydrophobicContact CD2-CG 4.33Å; F254-Y274 HydrophobicContact CE1-CG 4.26Å; F254-Y274 AromaticContact CE2-CD2 3.64Å; F254-Y274 HydrophobicContact CE2-CD2 3.64Å; F254-Y274 AromaticContact CE2-CG 3.8Å; F254-Y274 HydrophobicContact CE2-CG 3.8Å; F254-Y274 HydrophobicContact CZ-CD2 4.12Å; F254-Y274 AromaticContact CZ-CG 3.76Å; F254-Y274 HydrophobicContact CZ-CG 3.76Å; F254-Y274 PolarHBondContact N-O 2.92Å; F254-Y274 VanDerWaalsContact N-O 3.1Å; F254-Y274 WeakPolarHBondContact O-CB 3.47Å; F254-Y274 WeakPolarHBondContact O-CD2 3.17Å; F254-Y274 PolarHBondContact O-N 2.96Å; I256-Y274 HydrophobicContact CD1-CE2 4.36Å; D267-Y274 PolarHBondContact OD1-OH 2.93Å; D267-Y274 PolarHBondContact OD2-OH 3.42Å; N269-Y274 HydrophobicContact CB-CD1 4.37Å; N269-Y274 HydrophobicContact CB-CE1 3.9Å; N269-Y274 HydrophobicContact CB-CE2 4.16Å
275P95.1Very high80.5Confident30 Ų3072.4 Ų72.420%0.19538%0.382CS..EExtended strand (participates in β ladder)trans-80.7147.2-176.731.1-35.4000113.4D157 F158 E253 N273D157-P275 HydrophobicContact CB-CG 4.19Å; D157-P275 PolarHBondContact N-O 3.21Å; F158-P275 WeakPolarHBondContact CD1-O 3.41Å; E253-P275 HydrophobicContact CG-CB 4.14Å; N273-P275 WeakPolarHBondContact O-CD 3.26Å
276L93.5Very high78.1Confident14 Ų1475.4 Ų75.47%0.07340%0.402CS..EExtended strand (participates in β ladder)trans-110.4140.2166-69.675.4000108.9V155 L156 L184 L189 L242 I252 F254V155-L276 CarbonylContact O-C 3.52Å; V155-L276 WeakPolarHBondContact O-CA 3.45Å; L156-L276 HydrophobicContact CD2-CG 4.37Å; L184-L276 HydrophobicContact CD2-CD2 3.89Å; L189-L276 HydrophobicContact CD1-CD2 4.35Å; L189-L276 HydrophobicContact CD2-CD1 4.33Å; L189-L276 HydrophobicContact CD2-CD2 4.4Å; L242-L276 HydrophobicContact CD1-CD2 3.56Å; L242-L276 HydrophobicContact CD2-CD2 4.28Å; I252-L276 HydrophobicContact CB-CB 4.12Å; I252-L276 HydrophobicContact CG2-CB 4.2Å; I252-L276 HydrophobicContact CG2-CD1 4.15Å; I252-L276 HydrophobicContact CG2-CD2 4.25Å; I252-L276 HydrophobicContact CG2-CG 4.44Å; I252-L276 PolarHBondContact O-N 3.49Å; F254-L276 HydrophobicContact CD1-CD1 3.87Å; F254-L276 HydrophobicContact CE1-CD1 4Å
277K89.1Confident75.4Confident119 Ų11975.6 Ų75.652%0.51742%0.417SS..EExtended strand (participates in β ladder)trans-120.3143.4-178.1-176.3177.2178.9-179.60110.9L154 V155 D157 F279L154-K277 CarbonylContact C-O 3.57Å; L154-K277 WeakPolarHBondContact CA-O 3.29Å; V155-K277 HydrophobicContact CG1-CB 4.27Å; V155-K277 WeakPolarHBondContact CG1-O 3.32Å; V155-K277 PolarHBondContact N-O 2.99Å; V155-K277 PolarHBondContact O-N 3.2Å; D157-K277 HydrophobicContact CB-CB 3.94Å; K277-F279 PolarHBondContact O-N 3.22Å
278H85.3Confident72.7Confident31 Ų3184.4 Ų84.414%0.14446%0.456CS..EExtended strand (participates in β ladder)trans-69.7123.4169.8-71-82.5000110.7S153 W281S153-H278 CarbonylContact O-C 3.58Å; S153-H278 WeakPolarHBondContact O-CA 3.08Å; H278-W281 HydrophobicContact CB-CB 4.05Å
279F72.9Confident70Confident128 Ų12888.8 Ų88.856%0.56148%0.479SS*.SBendtrans-83.3132.1171.9-171-94.4000109.5S153 V155 K277 W281S153-F279 PolarHBondContact O-N 3.17Å; V155-F279 HydrophobicContact CG1-CB 4.13Å; V155-F279 HydrophobicContact CG1-CD2 4.32Å; K277-F279 PolarHBondContact O-N 3.22Å; F279-W281 VanDerWaalsContact C-N 3.32Å; F279-W281 PolarHBondContact O-N 3.16Å
280G62.9Low67.5Low48 Ų4893.3 Ų93.350%0.49551%0.513SS..SBendtrans83.7-4.717900000115.9S282G280-S282 PolarHBondContact O-N 3.05Å
281W53.5Low64.8Low117 Ų11792.3 Ų92.344%0.44353%0.526SS..  trans-81.268.2166-163.3-73.1000109.6P248 H278 F279 L286P248-W281 HydrophobicContact CB-CD2 3.76Å; P248-W281 HydrophobicContact CB-CE3 3.91Å; P248-W281 HydrophobicContact CB-CG 4.36Å; P248-W281 HydrophobicContact CB-CH2 4.15Å; P248-W281 HydrophobicContact CB-CZ2 3.96Å; P248-W281 HydrophobicContact CB-CZ3 4.13Å; P248-W281 HydrophobicContact CG-CD2 3.74Å; P248-W281 HydrophobicContact CG-CE3 3.52Å; P248-W281 HydrophobicContact CG-CH2 3.08Å; P248-W281 HydrophobicContact CG-CZ2 3.26Å; P248-W281 HydrophobicContact CG-CZ3 3.22Å; H278-W281 HydrophobicContact CB-CB 4.05Å; F279-W281 VanDerWaalsContact C-N 3.32Å; F279-W281 PolarHBondContact O-N 3.16Å; W281-L286 HydrophobicContact CZ2-CD1 3.69Å
282S49.4Very low62.2Low69 Ų6994.1 Ų94.148%0.48354%0.536SS..  trans-73.8129.315755.40000106.9G280 E284G280-S282 PolarHBondContact O-N 3.05Å; S282-E284 PolarHBondContact O-N 3.14Å
283G48.7Very low59.6Low54 Ų5495.6 Ų95.656%0.55755%0.546SS*.G310 helixtrans-66.225.5-176.500000115.5
284E46.7Very low56.6Low147 Ų147103.7 Ų103.769%0.68758%0.582SS**G310 helixtrans-84.5-7.9-177.7-68.7-175.6129.700113.7S282S282-E284 PolarHBondContact O-N 3.14Å
285N44.4Very low53.5Low153 Ų153113.4 Ų113.482%0.81863%0.625SS**G310 helixtrans-100.95.8-179.7-71.9-45000115
286L48.2Very low50.4Low135 Ų135117.3 Ų117.371%0.70765%0.65SS**SBendtrans-1127.9-179-86157.3000114.5W281W281-L286 HydrophobicContact CZ2-CD1 3.69Å
287S41.4Very low47.5Very low96 Ų96122.7 Ų122.767%0.67169%0.686SS**SBendtrans-123.715.6-173.849.80000115.6
288K39.7Very low44.7Very low188 Ų188125.6 Ų125.682%0.81770%0.701SS**SBendtrans-105.5-3.5179.8-82.6-173.6179.3175.30117.6
289D40.2Very low42.2Very low157 Ų157133.7 Ų133.784%0.8474%0.739SS**SBendtrans-122.871.1174.5-71.5-31.9000110.8
290S41.7Very low40.2Very low124 Ų124137.3 Ų137.387%0.86775%0.754SS**  trans173.276.9155.1-77.40000110.9
291A34.3Very low38.5Very low107 Ų107140.3 Ų140.388%0.88477%0.774SS**  trans-152.160.5160.100000110.9
292A35.6Very low37.4Very low90 Ų90138.3 Ų138.374%0.74479%0.79SS**  trans-90.5121.9159.500000108.8
293Q37Very low36.3Very low177 Ų177139 Ų13983%0.82781%0.808SS**  trans47.1119.6161.9-109.8101-2.300119.3
294Q32.4Very low35.5Very low192 Ų192140.9 Ų140.990%0.89782%0.818SS**  -170.4121.4109.5-98.4167.732.600112
295K32Very low34.7Very low206 Ų206143.4 Ų143.490%0.89683%0.827SS**PPolyproline II helixtrans-67144.1168.9-101.9178.5171.6-178.80110.6
296P29.6Very low34.2Very low112 Ų112142.1 Ų142.173%0.72782%0.824SS**PPolyproline II helixtrans-94.3153.7154.821.7-6.4000111.8
297P32.7Very low33.7Very low126 Ų126141.1 Ų141.182%0.81883%0.826SS**PPolyproline II helixtrans-84.7152.7-173.334.2-33.1000113.5
298E30.3Very low33.4Very low181 Ų181144.4 Ų144.485%0.84683%0.831SS**PPolyproline II helixtrans-70.6145.5175.4-65.6174.5137.700113.1
299H33Very low33.1Very low201 Ų201143.5 Ų143.593%0.93183%0.834SS**  trans-134.9131.9152.1-103.3-102.4000110.1
300K30.5Very low32.7Very low204 Ų204144.1 Ų144.189%0.88783%0.832SS**  trans-82.2142.3-173.4-73.3177.7173.5176.10114.3
301A28.4Very low32.4Very low110 Ų110148.2 Ų148.291%0.90984%0.835SS**  trans168.7142.6132.700000106.8
302G28.6Very low32.6Very low76 Ų76149.6 Ų149.678%0.78483%0.827SS**  cis-170.9147.5-1.200000105.2
303G28.1Very low33Very low82 Ų82153.3 Ų153.385%0.84583%0.829SS**  trans-84172.3-150.300000119.3
304A29.9Very low33.6Very low95 Ų95154.2 Ų154.279%0.78583%0.83SS**  -178.4116124.200000112.9
305K31.6Very low33.7Very low200 Ų200148.6 Ų148.687%0.8782%0.824SS**  trans65.490139.3-55.4-175.6180-176.50122.1
306V32.2Very low34.1Very low125 Ų125144.3 Ų144.376%0.75882%0.82SS**  12.8147.7112.3-1760000118.2E308V306-E308 HydrophobicContact CG1-CB 4.42Å
307P39.1Very low34.7Very low115 Ų115145.2 Ų145.275%0.74783%0.826SS**  cis-126.414029.320.14.9000116.6
308E34.2Very low35Very low165 Ų165150.5 Ų150.577%0.77183%0.83SS**  66.7105.174-165172.1-160.300113.3V306V306-E308 HydrophobicContact CG1-CB 4.42Å
309L33.4Very low35.3Very low169 Ų169150.4 Ų150.489%0.88583%0.832SS**  trans-146.895.5149-133.388.7000108.8
310E32.9Very low35.6Very low170 Ų170146.4 Ų146.479%0.79483%0.826SS**  trans2.3118143-155168.4-15900116.1
311F34.1Very low36Very low210 Ų210142.5 Ų142.592%0.92182%0.824SS**  trans-100.2109.5164.6-125.1-90.2000108.7Q313F311-Q313 PolarHBondContact O-N 2.89Å
312D38.3Very low36.3Very low135 Ų135140.3 Ų140.372%0.72281%0.812SS**  trans-65.7124.4-176.7-149.5-5.1000110.7F314D312-F314 VanDerWaalsContact C-N 3.27Å; D312-F314 PolarHBondContact O-N 3.17Å
313Q43.8Very low36.8Very low168 Ų168145.1 Ų145.179%0.78582%0.819SS**SBendtrans-77.678.8173.1-179.4179.75.100107.3F311F311-Q313 PolarHBondContact O-N 2.89Å
314F50.2Low37.6Very low196 Ų196151.1 Ų151.186%0.8682%0.823SS**  trans158.881.4157-83.3-63.1000109D312D312-F314 VanDerWaalsContact C-N 3.27Å; D312-F314 PolarHBondContact O-N 3.17Å
315G34.1Very low38.2Very low75 Ų75152.7 Ų152.777%0.77383%0.825SS**  trans-117.8107.4-177.100000113.7
316S40.7Very low38.4Very low116 Ų116146.8 Ų146.881%0.81182%0.821SS**  trans-65.7145.5169-55.80000111.5R318S316-R318 PolarHBondContact O-N 3.26Å
317P42.6Very low38.6Very low131 Ų131152.5 Ų152.585%0.85183%0.829SS**  trans-80.6115.5178.830.2-29.5000110.7
318R38.3Very low38.5Very low236 Ų236154.9 Ų154.989%0.89183%0.83SS**  trans-124.6125.9164.3-105.8-174.2-179.5161.21.6110.3S316S316-R318 PolarHBondContact O-N 3.26Å
319M37.8Very low38.6Very low180 Ų180152.9 Ų152.989%0.88783%0.834SS**  trans87.999.2157.3-52.7-173.172.200118.2
320S38.3Very low38.9Very low117 Ų117156.6 Ų156.682%0.81884%0.837SS**  trans-80125.5152.454.10000110.7
321S38.8Very low39.1Very low121 Ų121151.9 Ų151.985%0.84683%0.834SS**  trans-85.6124.8148.142.40000106.6
322G36.3Very low38.9Very low64 Ų64150.1 Ų150.166%0.6683%0.828SS**  cis105.291.922.100000108.5
323L38.5Very low39.1Very low177 Ų177150.5 Ų150.593%0.92783%0.828SS**  trans-171.2109.9154-95.2171.4000109.9
324F44.5Very low38.8Very low209 Ų209149.5 Ų149.592%0.91783%0.828SS**  trans-123.2146.8167.6-84.4-87.3000108.3
325P42.8Very low38.6Very low128 Ų128147 Ų14783%0.83182%0.824SS**  trans-114.7131.2148.429.4-15.7000108.9
326G36Very low38.7Very low76 Ų76150.4 Ų150.478%0.78483%0.83SS**  cis12279.530.800000107.3
327W35.4Very low38.8Very low244 Ų244151.2 Ų151.292%0.92483%0.83SS**  trans-95.9144174.1-97.947.8000111
328Q38.2Very low39.8Very low166 Ų166149.1 Ų149.178%0.77682%0.816SS**  trans99.1110160.7-50-154.65.300118.5
329S36.2Very low39.7Very low122 Ų122147 Ų14785%0.85381%0.809SS**  trans-143.6126132.2-172.70000109.4
330W39.4Very low40Very low248 Ų248153.6 Ų153.694%0.93983%0.825SS**  trans-76.9146.7165.4-95.862.9000109.9
331G36.8Very low40Very low71 Ų71155.5 Ų155.573%0.73283%0.825SS**  trans132.383158.400000115.3
332H29.6Very low40.1Very low172 Ų172157.3 Ų157.380%0.79682%0.824SS**  trans-164.9122.7130.8-145.7-77.3000109.4D334H332-D334 IonicContact CE1-OD2 3.95Å; H332-D334 IonicContact ND1-OD2 3.18Å
333I43.8Very low40.3Very low144 Ų144162.4 Ų162.474%0.73883%0.833SS**  trans-77.8135.4164.7-81154.5000106.8
334D37Very low40.4Very low146 Ų146161.6 Ų161.678%0.78183%0.828SS**  trans-153.2132.1136.2-95.9-36.7000111.7H332H332-D334 IonicContact CE1-OD2 3.95Å; H332-D334 IonicContact ND1-OD2 3.18Å
335N45.4Very low40.2Very low145 Ų145158.6 Ų158.678%0.77582%0.822SS**  trans-58.1136.5170.7-93.8-29.7000110.7
336T37.2Very low40Very low145 Ų145160.7 Ų160.789%0.8982%0.822SS**  trans-177.6127.3130.432.80000111.1
337V42.4Very low40.3Very low133 Ų133166.7 Ų166.781%0.80682%0.824SS**  trans-100178.9158.5-136.50000106.6
338P62.3Low40.7Very low88 Ų88160.8 Ų160.857%0.57182%0.817SS**  cis-123-157.5-39.821.92.4000111.3
339Y36.2Very low40.9Very low190 Ų190160.3 Ų160.375%0.74582%0.82SS**  trans88.2123.7175.3-51.6-76.1000112.3
340W44.3Very low41.3Very low320 Ų320163.8 Ų163.8100%1.21282%0.817SS**  cis-151.4039-23-87.9000110.7

Retrieved 340 of 340 residues in 53.5 ms (Link to these results)