A0A087YKD4_POEFO Loading...

Probable ATP-dependent RNA helicase DDX52

AlphaFold DB , UniProt , Accession A0A087YKD4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 654 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.2Very low36.5Very low181 Ų181131.5 Ų131.589%0.89266%0.658SS**  0131.40-70.4174177.200106Q34M1-Q34 HydrophobicContact CE-CB 4.17Å; M1-Q34 HydrophobicContact CE-CG 4.41Å; M1-Q34 VanDerWaalsContact CE-OE1 3.32Å; M1-Q34 PolarHBondContact SD-NE2 3.44Å
2D33.8Very low36.7Very low114 Ų114128.8 Ų128.861%0.6167%0.672SS**  trans-82.6148.4169179.134.1000110.4F4 E5D2-F4 PolarHBondContact O-N 3Å; D2-E5 PolarHBondContact O-N 2.8Å
3T32.4Very low36.5Very low106 Ų106125.5 Ų125.565%0.6569%0.687SS**THydrogen-bonded Turntrans-61.7-27.6-174.859.20000113.2E5 L6T3-E5 VanDerWaalsContact C-N 3.33Å; T3-E5 PolarHBondContact O-N 3.41Å; T3-L6 VanDerWaalsContact O-CB 3.31Å; T3-L6 WeakPolarHBondContact O-CB 3.42Å; T3-L6 PolarHBondContact O-N 3.41Å
4F32.5Very low36.4Very low169 Ų169123.1 Ų123.174%0.74169%0.693SS**Hα-helixtrans-66.7-30.6-177.2-151-102.8000113.3D2 L6D2-F4 PolarHBondContact O-N 3Å; F4-L6 VanDerWaalsContact C-N 3.28Å; F4-L6 PolarHBondContact O-N 3.26Å
5E41.3Very low36.4Very low73 Ų73128.7 Ų128.734%0.34171%0.707SS.*Hα-helixtrans-70.2-27.1178.9-148.9-151.3167.400112.4D2 T3 R8 K9 Q34D2-E5 PolarHBondContact O-N 2.8Å; T3-E5 VanDerWaalsContact C-N 3.33Å; T3-E5 PolarHBondContact O-N 3.41Å; E5-R8 PolarHBondContact O-N 3.32Å; E5-K9 WeakPolarHBondContact OE1-CE 3.31Å; E5-K9 IonicContact OE1-NZ 3.57Å; E5-K9 PolarHBondContact OE1-NZ 3.27Å; E5-Q34 WeakPolarHBondContact OE2-CG 3.43Å; E5-Q34 PolarHBondContact OE2-NE2 3.45Å
6L38.9Very low36.9Very low106 Ų106128 Ų12856%0.55570%0.695SS**Hα-helixtrans-67.4-41-176.8-167.168.5000111.8T3 F4T3-L6 VanDerWaalsContact O-CB 3.31Å; T3-L6 WeakPolarHBondContact O-CB 3.42Å; T3-L6 PolarHBondContact O-N 3.41Å; F4-L6 VanDerWaalsContact C-N 3.28Å; F4-L6 PolarHBondContact O-N 3.26Å
7F33.8Very low37.6Very low173 Ų173125.2 Ų125.276%0.75968%0.679SS**Hα-helixtrans-70.9-36.6177.6-91-90.4000112.7K9 L10F7-K9 PolarHBondContact O-N 3.46Å; F7-K9 VanDerWaalsContact O-N 3.15Å; F7-L10 PolarHBondContact O-N 3.38Å
8R38.7Very low38.1Very low224 Ų224124 Ų12485%0.84567%0.672SS**Hα-helixtrans-61.7-25.1-178.8-163.5175.9-174.2-176.33.4113.2E5E5-R8 PolarHBondContact O-N 3.32Å
9K42.8Very low38.5Very low95 Ų95128.4 Ų128.441%0.41368%0.684SS.*THydrogen-bonded Turntrans-93.82.1-175.5-76.8173.9173.1170.60115.4E5 F7 S33E5-K9 WeakPolarHBondContact OE1-CE 3.31Å; E5-K9 IonicContact OE1-NZ 3.57Å; E5-K9 PolarHBondContact OE1-NZ 3.27Å; F7-K9 PolarHBondContact O-N 3.46Å; F7-K9 VanDerWaalsContact O-N 3.15Å; K9-S33 PolarHBondContact NZ-O 3.22Å
10L34.3Very low38.8Very low135 Ų135131.5 Ų131.571%0.70769%0.685SS**THydrogen-bonded Turntrans-112.4-8.2-175.9-72.8170.4000115.5F7F7-L10 PolarHBondContact O-N 3.38Å
11G37Very low39.4Very low70 Ų70128.9 Ų128.972%0.72267%0.669SS**  trans-92.2-14.9-17300000117.6G13G11-G13 PolarHBondContact O-N 3.15Å; G11-G13 VanDerWaalsContact O-N 3.13Å
12A38.1Very low40.3Very low100 Ų100122.1 Ų122.183%0.82665%0.645SS**SBendtrans-79.298-174.700000111.8A14A12-A14 PolarHBondContact O-N 2.76Å
13G34.7Very low40.9Very low85 Ų85125.1 Ų125.188%0.87666%0.656SS**SBendtrans-7581.7-161.300000118.2G11G11-G13 PolarHBondContact O-N 3.15Å; G11-G13 VanDerWaalsContact O-N 3.13Å
14A34.8Very low41.4Very low92 Ų92122.6 Ų122.676%0.7664%0.638SS**  trans-160.8109.3141.900000110.7A12 F16A12-A14 PolarHBondContact O-N 2.76Å; A14-F16 PolarHBondContact O-N 2.73Å
15K36Very low42.5Very low208 Ų208115.2 Ų115.290%0.90461%0.609SS**  trans-75.8107.9179.1-75-176.3176.8177.20111.1
16F45.4Very low43.1Very low117 Ų117115.2 Ų115.251%0.51362%0.621SS.*  trans-71.9131.8168.5-175.6-99000110.5A14 L18 F21 A25A14-F16 PolarHBondContact O-N 2.73Å; F16-L18 HydrophobicContact CD1-CD2 3.83Å; F16-L18 HydrophobicContact CD1-CG 4.09Å; F16-L18 HydrophobicContact CE1-CD2 4.1Å; F16-L18 PolarHBondContact O-N 3.31Å; F16-F21 HydrophobicContact CE1-CB 3.81Å; F16-F21 HydrophobicContact CE2-CB 4.47Å; F16-F21 HydrophobicContact CE2-CD2 4.41Å; F16-F21 HydrophobicContact CZ-CB 3.51Å; F16-F21 HydrophobicContact CZ-CD2 4.19Å; F16-F21 HydrophobicContact CZ-CG 4.06Å; F16-A25 HydrophobicContact CE1-CB 4.49Å
17D48.1Very low43.4Very low80 Ų80119.4 Ų119.443%0.42863%0.63SS.*  trans-81.385.5-177.6-174-4.8000111.5K19 R20 F21D17-K19 PolarHBondContact O-N 3.18Å; D17-K19 PolarHBondContact OD1-N 3.16Å; D17-K19 VanDerWaalsContact OD1-N 3.12Å; D17-R20 HydrophobicContact CB-CB 4.08Å; D17-R20 VanDerWaalsContact CG-CB 3.47Å; D17-R20 PolarHBondContact O-N 3.42Å; D17-R20 PolarHBondContact OD1-N 3.15Å; D17-R20 VanDerWaalsContact OD2-CB 3.3Å; D17-R20 WeakPolarHBondContact OD2-CB 3.46Å; D17-F21 PolarHBondContact O-N 2.76Å; D17-F21 VanDerWaalsContact O-N 3.1Å
18L46.9Very low44Very low104 Ų104116.4 Ų116.455%0.54562%0.616SS.*THydrogen-bonded Turntrans-62-21.6178.3-71.1166.9000113.9F16 G22 A25F16-L18 HydrophobicContact CD1-CD2 3.83Å; F16-L18 HydrophobicContact CD1-CG 4.09Å; F16-L18 HydrophobicContact CE1-CD2 4.1Å; F16-L18 PolarHBondContact O-N 3.31Å; L18-G22 PolarHBondContact O-N 3.04Å; L18-A25 HydrophobicContact CD2-CB 3.84Å
19K45.6Very low44.3Very low207 Ų207114.6 Ų114.690%0.962%0.615SS**THydrogen-bonded Turntrans-74.8-31.7173.7-76-169.1174.4-173.10111.5D17D17-K19 PolarHBondContact O-N 3.18Å; D17-K19 PolarHBondContact OD1-N 3.16Å; D17-K19 VanDerWaalsContact OD1-N 3.12Å
20R44.6Very low44.4Very low190 Ų190115 Ų11572%0.71763%0.625SS**THydrogen-bonded Turntrans-87-27.9-178.3-173.7172.6-179.8164.23.4114.3D17D17-R20 HydrophobicContact CB-CB 4.08Å; D17-R20 VanDerWaalsContact CG-CB 3.47Å; D17-R20 PolarHBondContact O-N 3.42Å; D17-R20 PolarHBondContact OD1-N 3.15Å; D17-R20 VanDerWaalsContact OD2-CB 3.3Å; D17-R20 WeakPolarHBondContact OD2-CB 3.46Å
21F52.3Low44.8Very low77 Ų77113 Ų11334%0.33863%0.627SS.*SBendtrans-12531.7-174.1-60.5-76.6000113.5F16 D17 Q23 D24 A25F16-F21 HydrophobicContact CE1-CB 3.81Å; F16-F21 HydrophobicContact CE2-CB 4.47Å; F16-F21 HydrophobicContact CE2-CD2 4.41Å; F16-F21 HydrophobicContact CZ-CB 3.51Å; F16-F21 HydrophobicContact CZ-CD2 4.19Å; F16-F21 HydrophobicContact CZ-CG 4.06Å; D17-F21 PolarHBondContact O-N 2.76Å; D17-F21 VanDerWaalsContact O-N 3.1Å; F21-Q23 VanDerWaalsContact C-N 3.32Å; F21-Q23 PolarHBondContact O-N 2.65Å; F21-D24 PolarHBondContact O-N 3.14Å; F21-A25 PolarHBondContact O-N 3.36Å
22G53.8Low44.7Very low39 Ų39121.4 Ų121.440%0.40264%0.638SS.*Hα-helixtrans-59.8-35.1-175.300000114.8L18 A25 A26L18-G22 PolarHBondContact O-N 3.04Å; G22-A25 PolarHBondContact O-N 2.6Å; G22-A26 PolarHBondContact O-N 3.3Å; G22-A26 VanDerWaalsContact O-N 3.09Å
23Q47.5Very low44.3Very low177 Ų177120.9 Ų120.983%0.82763%0.628SS**Hα-helixtrans-67.8-40177.4-67.8-177.8-4.800112F21 R27F21-Q23 VanDerWaalsContact C-N 3.32Å; F21-Q23 PolarHBondContact O-N 2.65Å; Q23-R27 WeakPolarHBondContact O-CB 2.99Å; Q23-R27 PolarHBondContact O-N 3.26Å
24D42.8Very low44.1Very low53 Ų53120.7 Ų120.728%0.28360%0.604SS.*Hα-helixtrans-68.8-41.7174.4-64.1-56000111.6F21 A26 R27 F28F21-D24 PolarHBondContact O-N 3.14Å; D24-A26 VanDerWaalsContact C-N 3.26Å; D24-A26 PolarHBondContact O-N 2.97Å; D24-R27 WeakPolarHBondContact O-CB 3.39Å; D24-R27 PolarHBondContact O-N 2.93Å; D24-R27 VanDerWaalsContact O-N 3.09Å; D24-F28 HydrophobicContact CB-CD2 4.27Å; D24-F28 HydrophobicContact CB-CE2 4.29Å; D24-F28 WeakPolarHBondContact O-CD2 3.44Å; D24-F28 PolarHBondContact O-N 3.23Å
25A54.4Low43.8Very low15 Ų15119.7 Ų119.712%0.12460%0.602CS.*Hα-helixtrans-59.1-37.7177.200000112.5F16 L18 F21 G22 K29 V30F16-A25 HydrophobicContact CE1-CB 4.49Å; L18-A25 HydrophobicContact CD2-CB 3.84Å; F21-A25 PolarHBondContact O-N 3.36Å; G22-A25 PolarHBondContact O-N 2.6Å; A25-K29 PolarHBondContact O-N 3.15Å; A25-V30 PolarHBondContact O-N 3.12Å
26A54.7Low43.3Very low73 Ų73121.6 Ų121.660%0.60360%0.604SS**Hα-helixtrans-68.2-46.1171.600000112G22 D24 F28 K29G22-A26 PolarHBondContact O-N 3.3Å; G22-A26 VanDerWaalsContact O-N 3.09Å; D24-A26 VanDerWaalsContact C-N 3.26Å; D24-A26 PolarHBondContact O-N 2.97Å; A26-F28 VanDerWaalsContact C-N 3.28Å; A26-F28 PolarHBondContact O-N 3.47Å; A26-K29 PolarHBondContact O-N 3.13Å; A26-K29 VanDerWaalsContact O-N 3.14Å
27R44.7Very low42.5Very low193 Ų193125.2 Ų125.273%0.72862%0.622SS**Hα-helixtrans-58.9-35.7178.9-171.4178.7-176.5-1761.2113.1Q23 D24Q23-R27 WeakPolarHBondContact O-CB 2.99Å; Q23-R27 PolarHBondContact O-N 3.26Å; D24-R27 WeakPolarHBondContact O-CB 3.39Å; D24-R27 PolarHBondContact O-N 2.93Å; D24-R27 VanDerWaalsContact O-N 3.09Å
28F46.9Very low41.4Very low110 Ų110126.2 Ų126.248%0.48264%0.642SS.*THydrogen-bonded Turntrans-95.49.2178.9-64.7-64.7000114.5D24 A26 V30 W472D24-F28 HydrophobicContact CB-CD2 4.27Å; D24-F28 HydrophobicContact CB-CE2 4.29Å; D24-F28 WeakPolarHBondContact O-CD2 3.44Å; D24-F28 PolarHBondContact O-N 3.23Å; A26-F28 VanDerWaalsContact C-N 3.28Å; A26-F28 PolarHBondContact O-N 3.47Å; F28-V30 VanDerWaalsContact C-N 3.31Å; F28-V30 HydrophobicContact CB-CG2 4.24Å; F28-V30 PolarHBondContact O-N 3.2Å; F28-W472 HydrophobicContact CE2-CH2 4.19Å; F28-W472 HydrophobicContact CE2-CZ3 4.3Å; F28-W472 HydrophobicContact CZ-CZ3 4.42Å
29K44.3Very low40.3Very low187 Ų187126.6 Ų126.681%0.81365%0.654SS**THydrogen-bonded Turntrans48.645.5178.2-62.9-172.1177.3-175.90114A25 A26 A31A25-K29 PolarHBondContact O-N 3.15Å; A26-K29 PolarHBondContact O-N 3.13Å; A26-K29 VanDerWaalsContact O-N 3.14Å; K29-A31 VanDerWaalsContact C-N 3.35Å; K29-A31 PolarHBondContact O-N 2.82Å
30V45.2Very low39.4Very low103 Ų103125 Ų12562%0.62465%0.654SS**  trans-71.288.6179.6-175.20000110.1A25 F28A25-V30 PolarHBondContact O-N 3.12Å; F28-V30 VanDerWaalsContact C-N 3.31Å; F28-V30 HydrophobicContact CB-CG2 4.24Å; F28-V30 PolarHBondContact O-N 3.2Å
31A42.9Very low38.5Very low92 Ų92122.3 Ų122.376%0.7665%0.654SS**  trans-70.2133.2-172.300000113K29 S33K29-A31 VanDerWaalsContact C-N 3.35Å; K29-A31 PolarHBondContact O-N 2.82Å; A31-S33 PolarHBondContact O-N 2.97Å
32R35.1Very low37.2Very low247 Ų247123.7 Ų123.793%0.93267%0.673SS**  trans-70.9120159.9-88.5-179163.8179.2-6.1108.6
33S30.6Very low35.9Very low89 Ų89130.2 Ų130.262%0.62270%0.698SS**  trans-91.6115.2167.558.80000110.8K9 A31K9-S33 PolarHBondContact NZ-O 3.22Å; A31-S33 PolarHBondContact O-N 2.97Å
34Q29Very low34.8Very low82 Ų82126.9 Ų126.938%0.38369%0.694SS.*  trans-154.6131.7143.1-102.3-171.4-4800105.8M1 E5M1-Q34 HydrophobicContact CE-CB 4.17Å; M1-Q34 HydrophobicContact CE-CG 4.41Å; M1-Q34 VanDerWaalsContact CE-OE1 3.32Å; M1-Q34 PolarHBondContact SD-NE2 3.44Å; E5-Q34 WeakPolarHBondContact OE2-CG 3.43Å; E5-Q34 PolarHBondContact OE2-NE2 3.45Å
35G28.8Very low34Very low70 Ų70128.5 Ų128.572%0.72272%0.715SS**  trans-105.3-179.8-168.500000113.9
36R24.7Very low32.9Very low248 Ų248135.6 Ų135.694%0.93675%0.749SS**  trans-145.8137.4154.8-120.1178.3173.9165.9-3.6107.3
37E29Very low31.8Very low193 Ų193139.9 Ų139.990%0.90276%0.762SS**  trans-80.6152.3174.4-68.2153126.600110.4
38A24.9Very low31.1Very low102 Ų102140.7 Ų140.784%0.84377%0.766SS**  trans-129.7127.7149.700000105.6
39S25.4Very low30.2Very low112 Ų112144.7 Ų144.778%0.78378%0.784SS**  trans-80.7148.9-17150.50000112.7
40L25.3Very low29.3Very low174 Ų174139.5 Ų139.591%0.91178%0.783SS**  -160.6142.3119.7-108.1164.3000110.8
41D25.4Very low28.5Very low132 Ų132141.7 Ų141.771%0.70680%0.797SS**  trans-78.7150-173.1-113.6-57.5000113.1
42S25.6Very low27.6Very low107 Ų107140.8 Ų140.875%0.74880%0.797SS**  trans-166.8142.3157.2-83.10000111.1
43L27.7Very low27.1Very low175 Ų175134.1 Ų134.192%0.91680%0.795SS**  trans76.537.5171-49.1-178.9000118.2A45L43-A45 PolarHBondContact O-N 3.18Å
44S24.4Very low26.9Very low108 Ų108134.4 Ų134.476%0.75580%0.803SS**  trans-90.645.516846.30000113.8
45A26Very low26.7Very low87 Ų87139 Ų13972%0.71983%0.829SS**  trans-150.163.7-171.100000117.3L43L43-A45 PolarHBondContact O-N 3.18Å
46I31Very low26.6Very low164 Ų164139.5 Ų139.584%0.84184%0.835SS**  trans-138.3102.9154.4-56.4-178.2000109.6
47N31.8Very low26.6Very low163 Ų163132.5 Ų132.587%0.87283%0.83SS**  trans-94.1131171.2-80-34000110.4
48Y28.9Very low26.4Very low209 Ų209132.7 Ų132.782%0.8283%0.831SS**SBendtrans-102.92.9-174.9-163.5-103.5000114.7
49F28.4Very low26.3Very low194 Ų194133 Ų13385%0.85183%0.827SS**  trans-134.3126.2172.6-75.9-83.8000109.7
50G25.9Very low26.3Very low78 Ų78133.5 Ų133.580%0.80483%0.825SS**  trans-132.286-169.200000113.9
51T26.9Very low26.3Very low149 Ų149132 Ų13291%0.91482%0.818SS**  trans-154.1123.7164.252.40000108.5
52G24.6Very low26.4Very low73 Ų73134.3 Ų134.375%0.75383%0.825SS**  cis170.7156.7-10.300000112.1
53A24.8Very low26.4Very low107 Ų107137.1 Ų137.188%0.88483%0.831SS**  trans69.6166.3168.800000119.7
54A26.7Very low26.4Very low96 Ų96132.5 Ų132.579%0.79383%0.826SS**  trans67.281169.400000119
55N25.4Very low26.4Very low177 Ų177135.1 Ų135.195%0.94783%0.83SS**  trans-81.7137.6145.5-94.21.5000109.3
56G25.3Very low26.5Very low81 Ų81139 Ų13984%0.83583%0.833SS**  trans-129.9132.7159.900000108.4
57A25.5Very low26.2Very low101 Ų101136.7 Ų136.784%0.83583%0.832SS**  trans-138.3137.7-171.300000112.3
58Q24.1Very low25.9Very low197 Ų197132.4 Ų132.492%0.92183%0.826SS**  trans-154.5146.7164.5-83.6176.3-20.700104.8
59S23.5Very low25.8Very low109 Ų109129.7 Ų129.776%0.76283%0.826SS**  cis-134-177.73.345.30000107.3
60V25.2Very low25.6Very low122 Ų122125.3 Ų125.374%0.73982%0.819SS**  cis-148.1164.838.3179.50000109.8
61D25.2Very low25.6Very low144 Ų144129.8 Ų129.877%0.7782%0.819SS**  trans-53.6160.9173.4-39.9-91000112.5
62E27.5Very low25.6Very low180 Ų180128.7 Ų128.784%0.84181%0.812SS**  -161.7162.955.5-122.3169.9-170.500112.7
63D25.5Very low25.6Very low165 Ų165129 Ų12988%0.88282%0.815SS**  trans13.7131.7163.1-66.4-10.1000123.8
64G26.9Very low25.6Very low78 Ų78127.3 Ų127.380%0.80481%0.807SS**  trans-169.9135.6163.900000112.6
65I25.3Very low25.6Very low163 Ų163132 Ų13284%0.83681%0.81SS**  trans-108.6161.8-167.1-71172.3000112.6
66E27.2Very low25.5Very low169 Ų169134.2 Ų134.279%0.7981%0.805SS**  trans92.697.7157-103.2166.5-153.300122.2
67S25.2Very low25.5Very low116 Ų116139.1 Ų139.181%0.81180%0.804SS**  65.4147.4122.473.30000124
68G26.1Very low25.4Very low73 Ų73144.3 Ų144.375%0.75380%0.802SS**  trans97.582.9166.600000114.4
69D25.5Very low25.4Very low152 Ų152141.7 Ų141.781%0.81379%0.787SS**  cis83135.845.9-160.819.8000115.1
70S25.8Very low25.3Very low101 Ų101143.6 Ų143.671%0.70678%0.784SS**  trans62149173.971.90000118.7
71E25.7Very low25.3Very low173 Ų173148.9 Ų148.981%0.80879%0.79SS**  cis-157.7164.7-10.5-123.1-160.5143.400113.8
72V26Very low25.8Very low126 Ų126148.3 Ų148.376%0.76480%0.795SS**  trans9.3130.3146.7177.40000118
73G26.1Very low25.7Very low79 Ų79143 Ų14381%0.81479%0.789SS**  cis114.6166.348.200000110
74G24.7Very low25.6Very low71 Ų71142.2 Ų142.273%0.73278%0.78SS**  cis170.8-165.1-0.200000110.6
75K25.3Very low25.6Very low195 Ų195143.8 Ų143.885%0.84877%0.774SS**  trans82.8121174-58.1168.2-175.1165.90115.2
76R24.1Very low25.6Very low224 Ų224144.6 Ų144.685%0.84577%0.766SS**  77.5143.470.1-73.5171.3179.9178.10.4112.5
77K25Very low25.5Very low184 Ų184142.3 Ų142.380%0.876%0.755SS**  cis-154147.78.8-105.9167.6178.6-178.70106.8
78R22.9Very low25.5Very low210 Ų210145 Ų14579%0.79275%0.752SS**  82.5126.464.3-167.6-175.5-171.7-162.55.1116.2
79K23.9Very low25.3Very low142 Ų142146.4 Ų146.462%0.61775%0.75SS**  trans74.1157166.8-80.8164.2151.4-107.80116.4
80E22.8Very low25.2Very low148 Ų148147.8 Ų147.869%0.69275%0.749SS**  cis-148.7-177.310.5-152.992.3-116.700112.9
81R24.3Very low25.1Very low233 Ų233149.7 Ų149.788%0.87975%0.749SS**  trans-110.5-174.8167.5-81.6-171.3-178.7-175.11.9109.1
82P36.3Very low24.9Very low132 Ų132146.4 Ų146.486%0.85774%0.741SS**  cis-152.4-157.824.845.9-21.9000118.2
83G24.4Very low24.9Very low70 Ų70147.9 Ų147.972%0.72274%0.739SS**  trans111.8107174.700000112.6
84E25Very low24.7Very low148 Ų148149.5 Ų149.569%0.69274%0.738SS**  cis71127.846.8-126.7-155144.500112.4R86E84-R86 IonicContact OE1-CZ 2.65Å; E84-R86 IonicContact OE1-NE 3.68Å; E84-R86 PolarHBondContact OE1-NE 3.35Å; E84-R86 VanDerWaalsContact OE1-NE 3.1Å; E84-R86 IonicContact OE1-NH2 3.77Å; E84-R86 PolarHBondContact OE1-NH2 2.87Å
85V25.5Very low24.7Very low111 Ų111151.2 Ų151.267%0.67374%0.739SS**  -166.6124.866.3158.50000113.9
86R25.3Very low24.5Very low179 Ų179149.7 Ų149.768%0.67574%0.739SS**  trans54.3159.9134.7-57.1179.9-169.2-160.22121.9E84E84-R86 IonicContact OE1-CZ 2.65Å; E84-R86 IonicContact OE1-NE 3.68Å; E84-R86 PolarHBondContact OE1-NE 3.35Å; E84-R86 VanDerWaalsContact OE1-NE 3.1Å; E84-R86 IonicContact OE1-NH2 3.77Å; E84-R86 PolarHBondContact OE1-NH2 2.87Å
87H25.1Very low24.5Very low121 Ų121145.1 Ų145.156%0.5674%0.736SS**  cis-154.3141.70.3-120.83.9000112.3
88K24.8Very low24.5Very low172 Ų172144.8 Ų144.875%0.74874%0.737SS**  67.1148.7103-87.5-171.7-172174.20117.8
89S23.3Very low24.6Very low103 Ų103143.9 Ų143.972%0.7274%0.742SS**  cis-131.7-159.80.8-54.60000109.7
90K23.1Very low24.5Very low181 Ų181144.5 Ų144.579%0.78775%0.752SS**  cis-158157.2-2.9-142.4-177.3173.7-171.90104.7
91M22.7Very low24.6Very low141 Ų141141.8 Ų141.870%0.69576%0.755SS**  cis57.8130.343.4-60.1-176.678.100113.9
92T23.1Very low24.6Very low105 Ų105134.8 Ų134.864%0.64476%0.755SS**  cis-137.3146.842.641.30000113
93E24.5Very low24.1Very low156 Ų156132.5 Ų132.573%0.72976%0.756SS**  57.3145.583.4-66170.5114.400115.2
94S22.7Very low24Very low113 Ų113138 Ų13879%0.7976%0.763SS**  cis-144.2-161.11.852.50000109
95S23.6Very low24.5Very low107 Ų107135.7 Ų135.775%0.74876%0.761SS**  cis-154.6-160.89.465.50000111.7
96L22.7Very low24.3Very low164 Ų164138.1 Ų138.186%0.85977%0.769SS**  trans-144.3153.2-179.1-70.3163.7000112.7
97V24.3Very low24.3Very low127 Ų127135.7 Ų135.777%0.7777%0.774SS**  trans-158.5121.3149.1-163.60000104.1
98E23.9Very low24.5Very low178 Ų178139.1 Ų139.183%0.83279%0.79SS**  60.313871.5-75.3166.2-169.800112.6
99E24.5Very low24.7Very low190 Ų190137.2 Ų137.289%0.88879%0.793SS**  cis-137.1179.26.4-66178.194.100109.2
100D23Very low24.8Very low155 Ų155141.6 Ų141.683%0.82980%0.802SS**  cis-169.4-146.4-43.4-166.865.4000108.1
101A24.6Very low25.3Very low92 Ų92145.1 Ų145.176%0.7681%0.811SS**  trans7085.3161.500000121.5
102G24.3Very low25.4Very low85 Ų85141.4 Ų141.488%0.87681%0.809SS**  118.8110.5119.900000120.7
103G25.4Very low25.5Very low85 Ų85139.4 Ų139.488%0.87681%0.808SS**  trans119.896.614700000118.4
104E22.4Very low26Very low186 Ų186137.6 Ų137.687%0.86980%0.803SS**  trans-94.6175.3160.9-90-154.8170.100111.3
105P35.1Very low26.5Very low99 Ų99137.2 Ų137.264%0.64380%0.796SS**  cis-137.2146.6-44.736.7-21.3000112.7
106L22.8Very low27.4Very low161 Ų161138.5 Ų138.584%0.84378%0.784SS**  trans-142.9108.9169.5-82.2-179000115.8
107T23.9Very low28.4Very low128 Ų128132.7 Ų132.779%0.78576%0.756SS**  trans54130.3141.756.60000121.4T109T107-T109 PolarHBondContact O-N 3.33Å
108E30.7Very low29.6Very low193 Ų193128.1 Ų128.190%0.90273%0.73SS**  trans-62.3125.7170.3-59.6179.699.700113.2
109T28.6Very low30.7Very low133 Ų133122.6 Ų122.682%0.81671%0.711SS**  trans-170.1100.4134.510.10000112.7T107T107-T109 PolarHBondContact O-N 3.33Å
110Q25.6Very low31.7Very low194 Ų194116.5 Ų116.591%0.90768%0.684SS**  trans-160.6105.5152-120.316590.200113.6G112Q110-G112 PolarHBondContact O-N 3.28Å
111R32.7Very low32.7Very low256 Ų256113 Ų11397%0.96667%0.665SS**  trans-8170.6167.7-171.7179.5-92.4-147.1-2.9109.3G113R111-G113 VanDerWaalsContact C-N 3.27Å; R111-G113 PolarHBondContact O-N 2.92Å
112G24.9Very low33.7Very low63 Ų63117.7 Ų117.765%0.64966%0.663SS**  trans-68.364.1-171.700000115.8Q110 I114Q110-G112 PolarHBondContact O-N 3.28Å; G112-I114 PolarHBondContact O-N 3.1Å
113G25.5Very low34.4Very low62 Ų62120.9 Ų120.964%0.63965%0.653SS**  trans-73.6100.3172.200000111.6R111 T115R111-G113 VanDerWaalsContact C-N 3.27Å; R111-G113 PolarHBondContact O-N 2.92Å; G113-T115 PolarHBondContact O-N 3.32Å; G113-T115 VanDerWaalsContact O-N 3.16Å
114I34.8Very low35.4Very low118 Ų118119.4 Ų119.461%0.60562%0.624SS**  trans-62.9115.8178.7-58172.5000110.3G112 W116G112-I114 PolarHBondContact O-N 3.1Å; I114-W116 HydrophobicContact CB-CZ2 4.28Å; I114-W116 HydrophobicContact CD1-CZ2 4.04Å; I114-W116 HydrophobicContact CG2-CD2 4.03Å; I114-W116 HydrophobicContact CG2-CG 4.32Å; I114-W116 HydrophobicContact CG2-CH2 4.48Å; I114-W116 HydrophobicContact CG2-CZ2 3.82Å; I114-W116 PolarHBondContact O-N 2.88Å; I114-W116 PolarHBondContact O-NE1 3.29Å
115T33.9Very low36.5Very low106 Ų106117.6 Ų117.665%0.6562%0.616SS**  trans-78.497.4172-52.20000109.7G113 T117G113-T115 PolarHBondContact O-N 3.32Å; G113-T115 VanDerWaalsContact O-N 3.16Å; T115-T117 HydrophobicContact CG2-CG2 4.39Å; T115-T117 PolarHBondContact O-N 3.48Å
116W42.4Very low36.9Very low133 Ų133119.8 Ų119.850%0.50462%0.622SS.*  trans-75.9109.3179.2-63.386.7000110.8I114 L120I114-W116 HydrophobicContact CB-CZ2 4.28Å; I114-W116 HydrophobicContact CD1-CZ2 4.04Å; I114-W116 HydrophobicContact CG2-CD2 4.03Å; I114-W116 HydrophobicContact CG2-CG 4.32Å; I114-W116 HydrophobicContact CG2-CH2 4.48Å; I114-W116 HydrophobicContact CG2-CZ2 3.82Å; I114-W116 PolarHBondContact O-N 2.88Å; I114-W116 PolarHBondContact O-NE1 3.29Å; W116-L120 HydrophobicContact CE3-CD1 3.72Å; W116-L120 HydrophobicContact CE3-CD2 4.27Å; W116-L120 HydrophobicContact CZ3-CD1 3.55Å; W116-L120 HydrophobicContact CZ3-CD2 3.88Å; W116-L120 HydrophobicContact CZ3-CG 4.35Å
117T44.3Very low38Very low42 Ų42115.8 Ų115.826%0.25860%0.604SS.*  trans-105.1156.6179.150.90000111.9T115 S119 L120 E177T115-T117 HydrophobicContact CG2-CG2 4.39Å; T115-T117 PolarHBondContact O-N 3.48Å; T117-S119 PolarHBondContact O-N 3.07Å; T117-L120 WeakPolarHBondContact O-CB 3.44Å; T117-L120 PolarHBondContact O-N 3.28Å; T117-E177 WeakPolarHBondContact CA-OE1 3.46Å; T117-E177 WeakPolarHBondContact CB-OE1 3.44Å; T117-E177 HydrophobicContact CG2-CG 4.37Å; T117-E177 WeakPolarHBondContact CG2-OE1 3.45Å
118S49.5Very low39.1Very low32 Ų32117.9 Ų117.922%0.22461%0.605CS.*THydrogen-bonded Turntrans-58.7-20.5176.868.70000113.5L120 D121 E177S118-L120 PolarHBondContact O-N 3.29Å; S118-L120 VanDerWaalsContact O-N 3.12Å; S118-D121 PolarHBondContact O-N 3.33Å; S118-E177 WeakPolarHBondContact CB-OE2 3.23Å; S118-E177 PolarHBondContact N-OE1 2.89Å; S118-E177 PolarHBondContact OG-OE1 2.86Å; S118-E177 PolarHBondContact OG-OE2 2.25Å
119S45.5Very low39.8Very low62 Ų62117 Ų11743%0.43460%0.598SS.*Hα-helixtrans-57.3-22.5171.9-67.30000113.6T117 R122T117-S119 PolarHBondContact O-N 3.07Å; S119-R122 WeakPolarHBondContact O-CB 3.1Å; S119-R122 PolarHBondContact O-N 3.22Å
120L45.5Very low40.5Very low62 Ų62116.4 Ų116.433%0.32559%0.59SS.*Hα-helixtrans-78.2-24.9-179.4-150.5141.3000112.8W116 T117 S118 R122 K123 I124W116-L120 HydrophobicContact CE3-CD1 3.72Å; W116-L120 HydrophobicContact CE3-CD2 4.27Å; W116-L120 HydrophobicContact CZ3-CD1 3.55Å; W116-L120 HydrophobicContact CZ3-CD2 3.88Å; W116-L120 HydrophobicContact CZ3-CG 4.35Å; T117-L120 WeakPolarHBondContact O-CB 3.44Å; T117-L120 PolarHBondContact O-N 3.28Å; S118-L120 PolarHBondContact O-N 3.29Å; S118-L120 VanDerWaalsContact O-N 3.12Å; L120-R122 PolarHBondContact O-N 3.24Å; L120-K123 WeakPolarHBondContact O-CB 3.3Å; L120-K123 PolarHBondContact O-N 2.87Å; L120-K123 VanDerWaalsContact O-N 3.11Å; L120-I124 HydrophobicContact CD2-CD1 3.95Å; L120-I124 HydrophobicContact CD2-CG1 4.24Å; L120-I124 WeakPolarHBondContact O-CG1 3.26Å; L120-I124 PolarHBondContact O-N 2.88Å
121D44.3Very low41.7Very low82 Ų82109.7 Ų109.744%0.43957%0.573SS.*Hα-helixtrans-65.9-23171.2-112.1-28.7000112.3S118 I124 K141S118-D121 PolarHBondContact O-N 3.33Å; D121-I124 PolarHBondContact O-N 3.47Å; D121-K141 IonicContact OD1-NZ 3.26Å
122R45.2Very low42.6Very low190 Ų190103.2 Ų103.272%0.71756%0.562SS**Hα-helixtrans-70.2-43.2170.2-57.5-172.371.3-175.60.9111.3S119 L120 I124 Q125S119-R122 WeakPolarHBondContact O-CB 3.1Å; S119-R122 PolarHBondContact O-N 3.22Å; L120-R122 PolarHBondContact O-N 3.24Å; R122-I124 PolarHBondContact O-N 3.2Å; R122-Q125 WeakPolarHBondContact O-CB 3.43Å; R122-Q125 PolarHBondContact O-N 3.04Å; R122-Q125 VanDerWaalsContact O-N 3.08Å
123K39.8Very low43.9Very low151 Ų151104.7 Ų104.766%0.65755%0.552SS**Hα-helixtrans-62.3-28.6172-73.4-167.6169.9-171.20112.9L120 Q125 D126L120-K123 WeakPolarHBondContact O-CB 3.3Å; L120-K123 PolarHBondContact O-N 2.87Å; L120-K123 VanDerWaalsContact O-N 3.11Å; K123-Q125 PolarHBondContact O-N 2.96Å; K123-D126 PolarHBondContact O-N 2.97Å
124I46.8Very low45.3Very low54 Ų54108.3 Ų108.328%0.27755%0.55SS..THydrogen-bonded Turntrans-71.3-14.3176.4-70.7167.9000112.5L120 D121 R122L120-I124 HydrophobicContact CD2-CD1 3.95Å; L120-I124 HydrophobicContact CD2-CG1 4.24Å; L120-I124 WeakPolarHBondContact O-CG1 3.26Å; L120-I124 PolarHBondContact O-N 2.88Å; D121-I124 PolarHBondContact O-N 3.47Å; R122-I124 PolarHBondContact O-N 3.2Å
125Q44.3Very low46.3Very low149 Ų149110.3 Ų110.370%0.69656%0.555SS**THydrogen-bonded Turntrans-82.9-28.7174.4-67.1-179.1-2.700113.2R122 K123R122-Q125 WeakPolarHBondContact O-CB 3.43Å; R122-Q125 PolarHBondContact O-N 3.04Å; R122-Q125 VanDerWaalsContact O-N 3.08Å; K123-Q125 PolarHBondContact O-N 2.96Å
126D43.7Very low48.2Very low144 Ų144108 Ų10877%0.7754%0.542SS*.SBendtrans-81.7-12.2-176-64.4-37.8000113.8K123 Q128K123-D126 PolarHBondContact O-N 2.97Å; D126-Q128 PolarHBondContact O-N 2.76Å
127V45.8Very low49.9Very low77 Ų77103.9 Ų103.947%0.46753%0.53SS..  trans-97.194.7-178.6-174.20000111
128Q47Very low51.6Low173 Ų173109 Ų10981%0.80855%0.549SS*.  trans-124.595.1166.6-70.4-164.142.900112.1D126D126-Q128 PolarHBondContact O-N 2.76Å
129K45.6Very low53.4Low174 Ų174116.1 Ų116.176%0.75757%0.571SS**  trans-157.3160.3147.6-106.8150.7-173.5-179.90110.8
130D42.8Very low55.3Low120 Ų120118 Ų11864%0.64258%0.576SS**  trans58.8149.5173-59.6-8.2000120.9
131G51.3Low57.3Low53 Ų53120.1 Ų120.155%0.54658%0.582SS.*THydrogen-bonded Turntrans-82.7-27.5-169.500000114.5K134G131-K134 PolarHBondContact O-N 3.4Å
132T51.7Low59.4Low120 Ų120121.8 Ų121.874%0.73659%0.587SS**THydrogen-bonded Turntrans-66.5-42.5175.223.30000111.5K134 F135 S136T132-K134 VanDerWaalsContact C-N 3.28Å; T132-K134 PolarHBondContact O-N 2.78Å; T132-F135 WeakPolarHBondContact O-CB 3.38Å; T132-F135 PolarHBondContact O-N 3.21Å; T132-S136 PolarHBondContact O-N 3Å
133E51.8Low61.5Low94 Ų94117.2 Ų117.244%0.43958%0.576SS.*Hα-helixtrans-65-30.1176.1-64.5-140.8137.700112.8F135 S136 L137E133-F135 PolarHBondContact O-N 3.41Å; E133-F135 VanDerWaalsContact O-N 3.12Å; E133-S136 WeakPolarHBondContact CA-OG 3.41Å; E133-S136 PolarHBondContact O-N 3.18Å; E133-S136 PolarHBondContact O-OG 3.11Å; E133-L137 VanDerWaalsContact O-CB 3.3Å; E133-L137 WeakPolarHBondContact O-CB 3.48Å; E133-L137 VanDerWaalsContact O-CG 3.32Å; E133-L137 WeakPolarHBondContact O-CG 3.06Å; E133-L137 PolarHBondContact O-N 3.12Å
134K55.9Low63.8Low138 Ų138113 Ų11360%0.656%0.559SS**Hα-helixtrans-61.5-21.6172.8-70.5177.3-179.7173.20112.9G131 T132 K138G131-K134 PolarHBondContact O-N 3.4Å; T132-K134 VanDerWaalsContact C-N 3.28Å; T132-K134 PolarHBondContact O-N 2.78Å; K134-K138 WeakPolarHBondContact O-CB 3.13Å; K134-K138 WeakPolarHBondContact O-CD 3.49Å; K134-K138 WeakPolarHBondContact O-CG 3.49Å; K134-K138 PolarHBondContact O-N 3.08Å
135F55.3Low65.8Low161 Ų161114.5 Ų114.571%0.70657%0.565SS**Hα-helixtrans-84-40.8173.3-125-81.9000112.3T132 E133 K138 R139T132-F135 WeakPolarHBondContact O-CB 3.38Å; T132-F135 PolarHBondContact O-N 3.21Å; E133-F135 PolarHBondContact O-N 3.41Å; E133-F135 VanDerWaalsContact O-N 3.12Å; F135-K138 PolarHBondContact O-N 3.49Å; F135-R139 PolarHBondContact O-N 3.06Å
136S73.7Confident68.1Low56 Ų56112 Ų11239%0.39255%0.553SS.*Hα-helixtrans-67.1-42.8175.163.30000111.7T132 E133 K138 R139 L140T132-S136 PolarHBondContact O-N 3Å; E133-S136 WeakPolarHBondContact CA-OG 3.41Å; E133-S136 PolarHBondContact O-N 3.18Å; E133-S136 PolarHBondContact O-OG 3.11Å; S136-K138 PolarHBondContact O-N 3.29Å; S136-R139 CarbonylContact O-C 3.54Å; S136-R139 WeakPolarHBondContact O-CB 3.32Å; S136-R139 PolarHBondContact O-N 3.05Å; S136-R139 VanDerWaalsContact O-N 3.15Å; S136-L140 WeakPolarHBondContact O-CB 3.32Å; S136-L140 WeakPolarHBondContact O-CG 3.36Å; S136-L140 PolarHBondContact O-N 3.3Å
137L77.6Confident70.4Confident47 Ų47109.1 Ų109.125%0.24653%0.534CS..Hα-helixtrans-61.7-40.5175.1-72168.4000112.4E133 L140 K141E133-L137 VanDerWaalsContact O-CB 3.3Å; E133-L137 WeakPolarHBondContact O-CB 3.48Å; E133-L137 VanDerWaalsContact O-CG 3.32Å; E133-L137 WeakPolarHBondContact O-CG 3.06Å; E133-L137 PolarHBondContact O-N 3.12Å; L137-L140 PolarHBondContact O-N 3.42Å; L137-K141 WeakPolarHBondContact O-CG 3.45Å; L137-K141 PolarHBondContact O-N 3.38Å
138K81.3Confident72.7Confident149 Ų149105.7 Ų105.765%0.64851%0.513SS*.Hα-helixtrans-61.4-44.3171.9-81.1174.7-178.7-178.70111.6K134 F135 S136 K141 H142K134-K138 WeakPolarHBondContact O-CB 3.13Å; K134-K138 WeakPolarHBondContact O-CD 3.49Å; K134-K138 WeakPolarHBondContact O-CG 3.49Å; K134-K138 PolarHBondContact O-N 3.08Å; F135-K138 PolarHBondContact O-N 3.49Å; S136-K138 PolarHBondContact O-N 3.29Å; K138-K141 PolarHBondContact O-N 2.6Å; K138-H142 PolarHBondContact O-N 2.87Å
139R85.6Confident74.9Confident182 Ų182101.3 Ų101.369%0.68750%0.495SS*.Hα-helixtrans-64.7-41177.6-171.6177.5-178.9-179.20.2112.1F135 S136 H142 L143F135-R139 PolarHBondContact O-N 3.06Å; S136-R139 CarbonylContact O-C 3.54Å; S136-R139 WeakPolarHBondContact O-CB 3.32Å; S136-R139 PolarHBondContact O-N 3.05Å; S136-R139 VanDerWaalsContact O-N 3.15Å; R139-H142 WeakPolarHBondContact O-CB 3.49Å; R139-H142 PolarHBondContact O-N 3.28Å; R139-L143 HydrophobicContact CG-CD1 4.18Å; R139-L143 VanDerWaalsContact O-CG 3.32Å; R139-L143 WeakPolarHBondContact O-CG 3.28Å; R139-L143 PolarHBondContact O-N 2.6Å
140L85.6Confident77.3Confident102 Ų102101.1 Ų101.153%0.53449%0.49SS..Hα-helixtrans-62.9-45.7175.2-74.2166.2000111.5S136 L137 H142 L143 H144S136-L140 WeakPolarHBondContact O-CB 3.32Å; S136-L140 WeakPolarHBondContact O-CG 3.36Å; S136-L140 PolarHBondContact O-N 3.3Å; L137-L140 PolarHBondContact O-N 3.42Å; L140-H142 VanDerWaalsContact C-N 3.32Å; L140-H142 PolarHBondContact O-N 3.43Å; L140-L143 PolarHBondContact O-N 2.71Å; L140-H144 VanDerWaalsContact O-CB 3.28Å; L140-H144 WeakPolarHBondContact O-CB 3.26Å; L140-H144 PolarHBondContact O-N 3.45Å
141K87.4Confident79.8Confident107 Ų10796.7 Ų96.747%0.46547%0.466SS..Hα-helixtrans-63.4-35.4175-71.6-170176.6-156.20112.6D121 L137 K138 Q145D121-K141 IonicContact OD1-NZ 3.26Å; L137-K141 WeakPolarHBondContact O-CG 3.45Å; L137-K141 PolarHBondContact O-N 3.38Å; K138-K141 PolarHBondContact O-N 2.6Å; K141-Q145 VanDerWaalsContact O-CB 3.31Å; K141-Q145 WeakPolarHBondContact O-CB 3.38Å; K141-Q145 PolarHBondContact O-N 3.39Å
142H88.4Confident81.9Confident116 Ų11695.6 Ų95.654%0.53745%0.445SS..Hα-helixtrans-63.7-53.7172.8-166.8-79.7000112K138 R139 L140 H144 Q145 E146K138-H142 PolarHBondContact O-N 2.87Å; R139-H142 WeakPolarHBondContact O-CB 3.49Å; R139-H142 PolarHBondContact O-N 3.28Å; L140-H142 VanDerWaalsContact C-N 3.32Å; L140-H142 PolarHBondContact O-N 3.43Å; H142-H144 VanDerWaalsContact C-N 3.26Å; H142-H144 PolarHBondContact O-N 2.78Å; H142-Q145 WeakPolarHBondContact O-CB 3.18Å; H142-Q145 PolarHBondContact O-N 3.49Å; H142-E146 IonicContact CE1-OE1 3.57Å; H142-E146 PolarHBondContact CE1-OE1 3.3Å; H142-E146 IonicContact CE1-OE2 2.94Å; H142-E146 PolarHBondContact CE1-OE2 2.97Å; H142-E146 IonicContact CG-OE2 2.72Å; H142-E146 IonicContact ND1-OE1 2.8Å; H142-E146 IonicContact ND1-OE2 3.13Å; H142-E146 PolarHBondContact ND1-OE2 3.29Å; H142-E146 WeakPolarHBondContact O-CG 3.26Å; H142-E146 PolarHBondContact O-N 2.76Å
143L89.2Confident83.9Confident94 Ų9493.3 Ų93.349%0.49244%0.438SS..Hα-helixtrans-59.1-37.6179.1-70.8167000112.4R139 L140 E146 K147R139-L143 HydrophobicContact CG-CD1 4.18Å; R139-L143 VanDerWaalsContact O-CG 3.32Å; R139-L143 WeakPolarHBondContact O-CG 3.28Å; R139-L143 PolarHBondContact O-N 2.6Å; L140-L143 PolarHBondContact O-N 2.71Å; L143-E146 WeakPolarHBondContact CA-OE2 3.13Å; L143-K147 WeakPolarHBondContact O-CB 3.41Å; L143-K147 PolarHBondContact O-N 3.44Å
144H88.3Confident85.9Confident63 Ų6395.4 Ų95.429%0.29245%0.448SS..Hα-helixtrans-64.9-48.8172.7174.384000111.6L140 H142 E146 K147 V148 D166L140-H144 VanDerWaalsContact O-CB 3.28Å; L140-H144 WeakPolarHBondContact O-CB 3.26Å; L140-H144 PolarHBondContact O-N 3.45Å; H142-H144 VanDerWaalsContact C-N 3.26Å; H142-H144 PolarHBondContact O-N 2.78Å; H144-E146 VanDerWaalsContact C-N 3.28Å; H144-E146 PolarHBondContact O-N 3.08Å; H144-K147 WeakPolarHBondContact O-CB 3.43Å; H144-K147 PolarHBondContact O-N 3.21Å; H144-K147 VanDerWaalsContact O-N 3.14Å; H144-V148 WeakPolarHBondContact O-CG2 3.24Å; H144-V148 PolarHBondContact O-N 3.28Å; H144-D166 IonicContact CE1-OD2 3.3Å; H144-D166 PolarHBondContact CE1-OD2 3.19Å; H144-D166 IonicContact NE2-OD1 3.24Å; H144-D166 IonicContact NE2-OD2 2.74Å; H144-D166 PolarHBondContact NE2-OD2 3.1Å
145Q90Very high87.5Confident86 Ų8691.8 Ų91.840%0.40243%0.433SS..Hα-helixtrans-60.4-37.1176.9-172.362.480.100112.3K141 H142 N149K141-Q145 VanDerWaalsContact O-CB 3.31Å; K141-Q145 WeakPolarHBondContact O-CB 3.38Å; K141-Q145 PolarHBondContact O-N 3.39Å; H142-Q145 WeakPolarHBondContact O-CB 3.18Å; H142-Q145 PolarHBondContact O-N 3.49Å; Q145-N149 PolarHBondContact NE2-OD1 3.47Å; Q145-N149 WeakPolarHBondContact O-CB 3.34Å; Q145-N149 PolarHBondContact O-N 3.43Å; Q145-N149 PolarHBondContact O-ND2 3.39Å; Q145-N149 PolarHBondContact O-OD1 2.93Å
146E92.4Very high89.3Confident96 Ų9689.9 Ų89.945%0.44942%0.421SS..Hα-helixtrans-64.6-45.5173-72.4174117.600112.1H142 L143 H144 V148 N149 R150H142-E146 IonicContact CE1-OE1 3.57Å; H142-E146 PolarHBondContact CE1-OE1 3.3Å; H142-E146 IonicContact CE1-OE2 2.94Å; H142-E146 PolarHBondContact CE1-OE2 2.97Å; H142-E146 IonicContact CG-OE2 2.72Å; H142-E146 IonicContact ND1-OE1 2.8Å; H142-E146 IonicContact ND1-OE2 3.13Å; H142-E146 PolarHBondContact ND1-OE2 3.29Å; H142-E146 WeakPolarHBondContact O-CG 3.26Å; H142-E146 PolarHBondContact O-N 2.76Å; L143-E146 WeakPolarHBondContact CA-OE2 3.13Å; H144-E146 VanDerWaalsContact C-N 3.28Å; H144-E146 PolarHBondContact O-N 3.08Å; E146-V148 PolarHBondContact O-N 3.03Å; E146-N149 PolarHBondContact O-N 3.28Å; E146-R150 WeakPolarHBondContact O-CB 3.5Å; E146-R150 PolarHBondContact O-N 3Å
147K92.1Very high90.3Very high84 Ų8487.6 Ų87.637%0.36540%0.404SS..Hα-helixtrans-58.4-46.3174.6-177.8-168.1174.1-167.20111.3L143 H144 R150 I151L143-K147 WeakPolarHBondContact O-CB 3.41Å; L143-K147 PolarHBondContact O-N 3.44Å; H144-K147 WeakPolarHBondContact O-CB 3.43Å; H144-K147 PolarHBondContact O-N 3.21Å; H144-K147 VanDerWaalsContact O-N 3.14Å; K147-R150 WeakPolarHBondContact O-CB 3.28Å; K147-R150 PolarHBondContact O-N 2.98Å; K147-I151 HydrophobicContact CG-CD1 4.42Å; K147-I151 WeakPolarHBondContact O-CG1 3.15Å; K147-I151 PolarHBondContact O-N 3.22Å
148V93.8Very high91.1Very high5 Ų589 Ų893%0.0341%0.412CS..Hα-helixtrans-66.2-42.4178.6170.10000111.2H144 E146 R150 I151 R152 D166 P167H144-V148 WeakPolarHBondContact O-CG2 3.24Å; H144-V148 PolarHBondContact O-N 3.28Å; E146-V148 PolarHBondContact O-N 3.03Å; V148-R150 VanDerWaalsContact C-N 3.31Å; V148-R150 PolarHBondContact O-N 2.95Å; V148-I151 PolarHBondContact O-N 2.98Å; V148-R152 VanDerWaalsContact CG1-CZ 3.43Å; V148-R152 VanDerWaalsContact CG1-NH1 3.3Å; V148-R152 WeakPolarHBondContact O-CG 3.39Å; V148-R152 PolarHBondContact O-N 3.35Å; V148-D166 VanDerWaalsContact CG2-OD1 3.28Å; V148-D166 WeakPolarHBondContact CG2-OD1 3.27Å; V148-P167 HydrophobicContact CG1-CG 4.43Å
149N93.6Very high91.8Very high80 Ų8083.4 Ų83.443%0.42839%0.39SS..Hα-helixtrans-64.4-35.7175.1-72-10000111.8Q145 E146 R152 A153Q145-N149 PolarHBondContact NE2-OD1 3.47Å; Q145-N149 WeakPolarHBondContact O-CB 3.34Å; Q145-N149 PolarHBondContact O-N 3.43Å; Q145-N149 PolarHBondContact O-ND2 3.39Å; Q145-N149 PolarHBondContact O-OD1 2.93Å; E146-N149 PolarHBondContact O-N 3.28Å; N149-R152 PolarHBondContact O-N 3.04Å; N149-A153 VanDerWaalsContact O-CB 3.31Å; N149-A153 WeakPolarHBondContact O-CB 3.28Å; N149-A153 PolarHBondContact O-N 3.13Å
150R95.3Very high92.2Very high171 Ų17179.2 Ų79.265%0.64538%0.379SS*.Hα-helixtrans-64-43.6173.6-168.1-179.175-1714.6111.9E146 K147 V148 A153 Q154E146-R150 WeakPolarHBondContact O-CB 3.5Å; E146-R150 PolarHBondContact O-N 3Å; K147-R150 WeakPolarHBondContact O-CB 3.28Å; K147-R150 PolarHBondContact O-N 2.98Å; V148-R150 VanDerWaalsContact C-N 3.31Å; V148-R150 PolarHBondContact O-N 2.95Å; R150-A153 PolarHBondContact O-N 3.06Å; R150-Q154 VanDerWaalsContact O-CB 3.29Å; R150-Q154 WeakPolarHBondContact O-CB 3.45Å; R150-Q154 PolarHBondContact O-N 3.46Å
151I94.9Very high92.5Very high27 Ų2776.5 Ų76.514%0.13838%0.375CS..Hα-helixtrans-62.1-48.2174.6-65.3161.4000110K147 V148 A153 Q154 H155 P167 M201K147-I151 HydrophobicContact CG-CD1 4.42Å; K147-I151 WeakPolarHBondContact O-CG1 3.15Å; K147-I151 PolarHBondContact O-N 3.22Å; V148-I151 PolarHBondContact O-N 2.98Å; I151-A153 VanDerWaalsContact C-N 3.34Å; I151-A153 PolarHBondContact O-N 2.99Å; I151-Q154 PolarHBondContact O-N 3.09Å; I151-H155 PolarHBondContact O-CD2 2.79Å; I151-H155 PolarHBondContact O-N 3.13Å; I151-P167 HydrophobicContact CB-CG 4.38Å; I151-P167 HydrophobicContact CG2-CB 4.44Å; I151-P167 HydrophobicContact CG2-CG 3.82Å; I151-M201 HydrophobicContact CG2-CE 3.75Å
152R95.4Very high92.7Very high29 Ų2975.1 Ų75.111%0.10938%0.378CS..Hα-helixtrans-58.6-42.9176.5-72.6176.1177.5142.55.7111.8V148 N149 R156 I157 P165 P167V148-R152 VanDerWaalsContact CG1-CZ 3.43Å; V148-R152 VanDerWaalsContact CG1-NH1 3.3Å; V148-R152 WeakPolarHBondContact O-CG 3.39Å; V148-R152 PolarHBondContact O-N 3.35Å; N149-R152 PolarHBondContact O-N 3.04Å; R152-R156 CarbonylContact O-C 3.59Å; R152-R156 WeakPolarHBondContact O-CA 3.49Å; R152-R156 PolarHBondContact O-N 2.8Å; R152-I157 HydrophobicContact CB-CB 4.24Å; R152-I157 HydrophobicContact CG-CB 4.31Å; R152-I157 PolarHBondContact O-N 3.16Å; R152-P165 PolarHBondContact NH2-O 2.86Å; R152-P167 HydrophobicContact CG-CG 4.31Å
153A93.4Very high92.7Very high72 Ų7275.3 Ų75.360%0.59538%0.383SS*.Hα-helixtrans-65.2-48.9176.600000112.7N149 R150 I151 H155 R156N149-A153 VanDerWaalsContact O-CB 3.31Å; N149-A153 WeakPolarHBondContact O-CB 3.28Å; N149-A153 PolarHBondContact O-N 3.13Å; R150-A153 PolarHBondContact O-N 3.06Å; I151-A153 VanDerWaalsContact C-N 3.34Å; I151-A153 PolarHBondContact O-N 2.99Å; A153-H155 VanDerWaalsContact C-N 3.3Å; A153-H155 PolarHBondContact O-N 2.75Å; A153-R156 PolarHBondContact O-N 2.88Å
154Q93.6Very high93Very high138 Ų13872.5 Ų72.565%0.64537%0.369SS*.Hα-helixtrans-56.4-42.6178.9178.1176.7-8.400112.2R150 I151 R156R150-Q154 VanDerWaalsContact O-CB 3.29Å; R150-Q154 WeakPolarHBondContact O-CB 3.45Å; R150-Q154 PolarHBondContact O-N 3.46Å; I151-Q154 PolarHBondContact O-N 3.09Å; Q154-R156 VanDerWaalsContact C-N 3.34Å
155H91.3Very high93.3Very high62 Ų6270.1 Ų70.129%0.28736%0.36SS..THydrogen-bonded Turntrans-91.78.2178.9-67.9-90.5000113.6I151 A153 I157 P198 M201I151-H155 PolarHBondContact O-CD2 2.79Å; I151-H155 PolarHBondContact O-N 3.13Å; A153-H155 VanDerWaalsContact C-N 3.3Å; A153-H155 PolarHBondContact O-N 2.75Å; H155-I157 VanDerWaalsContact C-N 3.26Å; H155-I157 HydrophobicContact CB-CD1 3.82Å; H155-I157 HydrophobicContact CB-CG1 3.73Å; H155-I157 PolarHBondContact O-N 3.05Å; H155-P198 HydrophobicContact CB-CB 4.11Å; H155-P198 HydrophobicContact CB-CG 4.06Å; H155-M201 HydrophobicContact CB-SD 4.2Å
156R92.3Very high93.5Very high122 Ų12268.5 Ų68.546%0.4635%0.354SS..THydrogen-bonded Turntrans51.439.4-179.1-52.4-179.3-172.9172.2-1.2114R152 A153 Q154 N158 G385 E392R152-R156 CarbonylContact O-C 3.59Å; R152-R156 WeakPolarHBondContact O-CA 3.49Å; R152-R156 PolarHBondContact O-N 2.8Å; A153-R156 PolarHBondContact O-N 2.88Å; Q154-R156 VanDerWaalsContact C-N 3.34Å; R156-N158 PolarHBondContact O-N 2.82Å; R156-G385 PolarHBondContact O-N 2.85Å; R156-E392 IonicContact CZ-OE1 3.94Å; R156-E392 IonicContact CZ-OE2 3.3Å; R156-E392 IonicContact NH1-OE1 2.97Å; R156-E392 PolarHBondContact NH1-OE1 3.49Å; R156-E392 IonicContact NH1-OE2 2.81Å; R156-E392 PolarHBondContact NH1-OE2 3.46Å; R156-E392 IonicContact NH2-OE1 2.68Å; R156-E392 PolarHBondContact NH2-OE1 2.98Å; R156-E392 IonicContact NH2-OE2 2.79Å
157I95.2Very high93.6Very high7 Ų764.3 Ų64.34%0.03634%0.335CS..EExtended strand (participates in β ladder)trans-87.9100-179.4-48.8179.7000109.4R152 H155 V159 P198 M201 Q202 V382 I384R152-I157 HydrophobicContact CB-CB 4.24Å; R152-I157 HydrophobicContact CG-CB 4.31Å; R152-I157 PolarHBondContact O-N 3.16Å; H155-I157 VanDerWaalsContact C-N 3.26Å; H155-I157 HydrophobicContact CB-CD1 3.82Å; H155-I157 HydrophobicContact CB-CG1 3.73Å; H155-I157 PolarHBondContact O-N 3.05Å; I157-V159 HydrophobicContact CG2-CG2 3.79Å; I157-P198 HydrophobicContact CD1-CB 4.47Å; I157-P198 WeakPolarHBondContact CD1-O 3.47Å; I157-P198 HydrophobicContact CG1-CB 4.18Å; I157-M201 HydrophobicContact CD1-CB 4.18Å; I157-M201 HydrophobicContact CD1-SD 4.27Å; I157-Q202 HydrophobicContact CD1-CB 4.44Å; I157-Q202 HydrophobicContact CG2-CB 3.75Å; I157-Q202 HydrophobicContact CG2-CG 3.94Å; I157-V382 HydrophobicContact CG2-CG1 4.15Å; I157-I384 HydrophobicContact CB-CD1 4.15Å; I157-I384 HydrophobicContact CG1-CD1 3.94Å; I157-I384 HydrophobicContact CG2-CD1 3.93Å
158N94.5Very high93.7Very high76 Ų7660.5 Ų60.541%0.40632%0.319SS..EExtended strand (participates in β ladder)trans-91.5115.1175.6-63-70.3000110.1R156 N383 G385R156-N158 PolarHBondContact O-N 2.82Å; N158-N383 HydrophobicContact CB-CB 4.3Å; N158-N383 WeakPolarHBondContact CB-O 3.42Å; N158-N383 PolarHBondContact N-O 2.92Å; N158-N383 PolarHBondContact O-N 2.9Å; N158-G385 PolarHBondContact ND2-O 2.91Å; N158-G385 VanDerWaalsContact ND2-O 3.14Å
159V94.8Very high93.6Very high32 Ų3263.2 Ų63.219%0.19434%0.337CS..EExtended strand (participates in β ladder)trans-116.5140.8-178.9-161.60000111.4I157 V164 Q202 V380 S381 V382I157-V159 HydrophobicContact CG2-CG2 3.79Å; V159-V164 HydrophobicContact CB-CG1 4.47Å; V159-V164 HydrophobicContact CG1-CG1 3.74Å; V159-V164 HydrophobicContact CG1-CG2 3.98Å; V159-Q202 HydrophobicContact CG2-CG 3.78Å; V159-V380 HydrophobicContact CG1-CG1 3.46Å; V159-V380 VanDerWaalsContact CG1-CG1 3.46Å; V159-S381 CarbonylContact C-O 3.56Å; V159-S381 WeakPolarHBondContact CA-O 3.42Å; V159-V382 HydrophobicContact CG1-CG2 4.14Å
160H94.1Very high93.6Very high95 Ų9560.8 Ų60.844%0.4433%0.327SS..EExtended strand (participates in β ladder)trans-134.8126.4173.3-48.1-57.2000110.2V380 S381H160-V380 CarbonylContact O-C 3.51Å; H160-V380 WeakPolarHBondContact O-CA 3.47Å; H160-S381 PolarHBondContact N-O 3.31Å; H160-S381 PolarHBondContact O-N 3.4Å
161G92.4Very high93.5Very high45 Ų4552.9 Ų52.946%0.46430%0.297SS..SBendtrans147.7168.2-178.300000110.9V164G161-V164 WeakPolarHBondContact O-CG2 3.22Å
162C90.7Very high93.2Very high77 Ų7755.3 Ų55.352%0.5231%0.308SS..SBendtrans-85.4164.4173.3-60.30000111.4V164 R211C162-V164 VanDerWaalsContact C-N 3.29Å; C162-V164 PolarHBondContact O-N 2.81Å; C162-V164 VanDerWaalsContact O-N 3.17Å; C162-R211 VanDerWaalsContact O-CZ 3.31Å; C162-R211 PolarHBondContact O-NH1 2.78Å; C162-R211 PolarHBondContact O-NH2 2.96Å
163D89.9Confident93Very high121 Ų12155.4 Ų55.465%0.64731%0.309SS*.SBendtrans53.440.4166.3-25.9-60.2000113.9P165 R211 N378D163-P165 WeakPolarHBondContact O-CD 3.39Å; D163-R211 VanDerWaalsContact C-NH1 3.33Å; D163-R211 PolarHBondContact O-NH1 2.92Å; D163-N378 PolarHBondContact OD2-ND2 2.93Å; D163-N378 VanDerWaalsContact OD2-ND2 3.16Å
164V94.4Very high92.7Very high34 Ų3452 Ų5221%0.20628%0.281CS..  trans-80.5113.3-173.6-178.20000110V159 G161 C162 V380V159-V164 HydrophobicContact CB-CG1 4.47Å; V159-V164 HydrophobicContact CG1-CG1 3.74Å; V159-V164 HydrophobicContact CG1-CG2 3.98Å; G161-V164 WeakPolarHBondContact O-CG2 3.22Å; C162-V164 VanDerWaalsContact C-N 3.29Å; C162-V164 PolarHBondContact O-N 2.81Å; C162-V164 VanDerWaalsContact O-N 3.17Å; V164-V380 HydrophobicContact CG2-CG1 4.04Å; V164-V380 HydrophobicContact CG2-CG2 4.44Å
165P94.2Very high92.3Very high14 Ų1449.4 Ų49.49%0.09127%0.269CS..PPolyproline II helixtrans-67.1161.3177.931.1-36000111.4R152 D163 Q202 P205 L206 H209R152-P165 PolarHBondContact NH2-O 2.86Å; D163-P165 WeakPolarHBondContact O-CD 3.39Å; P165-Q202 PolarHBondContact O-NE2 3.09Å; P165-P205 HydrophobicContact CB-CB 4.28Å; P165-P205 HydrophobicContact CG-CB 4.06Å; P165-L206 HydrophobicContact CG-CD2 4.16Å; P165-L206 HydrophobicContact CG-CG 4.23Å; P165-H209 HydrophobicContact CG-CB 4.41Å
166D94.7Very high92.1Very high52 Ų5250.2 Ų50.228%0.27828%0.282SS..PPolyproline II helixtrans-63.3151.8-177.4-72.4-21.9000113.6H144 V148 V168 P205H144-D166 IonicContact CE1-OD2 3.3Å; H144-D166 PolarHBondContact CE1-OD2 3.19Å; H144-D166 IonicContact NE2-OD1 3.24Å; H144-D166 IonicContact NE2-OD2 2.74Å; H144-D166 PolarHBondContact NE2-OD2 3.1Å; V148-D166 VanDerWaalsContact CG2-OD1 3.28Å; V148-D166 WeakPolarHBondContact CG2-OD1 3.27Å; D166-V168 PolarHBondContact O-N 3.39Å; D166-P205 WeakPolarHBondContact O-CG 3.43Å
167P95.5Very high91.7Very high7 Ų746.1 Ų46.15%0.04527%0.268CS..PPolyproline II helixtrans-73.9121.6173.330.8-33000110.6V148 I151 R152 M201V148-P167 HydrophobicContact CG1-CG 4.43Å; I151-P167 HydrophobicContact CB-CG 4.38Å; I151-P167 HydrophobicContact CG2-CB 4.44Å; I151-P167 HydrophobicContact CG2-CG 3.82Å; R152-P167 HydrophobicContact CG-CG 4.31Å; P167-M201 CarbonylContact C-O 3.57Å; P167-M201 VanDerWaalsContact CA-O 3.23Å; P167-M201 WeakPolarHBondContact CA-O 3.48Å; P167-M201 HydrophobicContact CB-CB 4.14Å
168V94.4Very high91.2Very high5 Ų547.8 Ų47.83%0.0327%0.274CS..PPolyproline II helixtrans-66.1138174-60.90000110.4D166 E173 L174 Y178 M201 P205D166-V168 PolarHBondContact O-N 3.39Å; V168-E173 VanDerWaalsContact CA-OE2 3.26Å; V168-E173 WeakPolarHBondContact CA-OE2 3.36Å; V168-L174 HydrophobicContact CB-CD2 4.42Å; V168-L174 HydrophobicContact CG1-CD2 3.97Å; V168-L174 HydrophobicContact CG2-CD2 4.17Å; V168-Y178 HydrophobicContact CG1-CE2 4.33Å; V168-M201 PolarHBondContact N-O 2.98Å; V168-M201 WeakPolarHBondContact O-CA 3.45Å; V168-M201 WeakPolarHBondContact O-CB 3.35Å; V168-M201 VanDerWaalsContact O-CG 3.26Å; V168-M201 WeakPolarHBondContact O-CG 3.28Å; V168-P205 HydrophobicContact CG1-CB 4.26Å; V168-P205 HydrophobicContact CG1-CG 4.14Å
169C91.6Very high90.8Very high62 Ų6254.1 Ų54.142%0.41929%0.292SS..  trans-104.6-25.5-174.1-67.30000113E173 P196C169-E173 PolarHBondContact N-OE2 3.44Å; C169-P196 WeakPolarHBondContact O-CD 3.42Å; C169-P196 WeakPolarHBondContact O-CG 3.42Å
170S93.3Very high90.5Very high29 Ų2952.7 Ų52.720%0.20328%0.283CS..SBendtrans-127.1169.9174.666.50000111.6E173S170-E173 WeakPolarHBondContact CB-OE1 3.3Å; S170-E173 PolarHBondContact N-OE1 2.92Å; S170-E173 VanDerWaalsContact OG-CG 3.32Å; S170-E173 WeakPolarHBondContact OG-CG 3.49Å; S170-E173 PolarHBondContact OG-N 3.35Å; S170-E173 PolarHBondContact OG-OE1 3.38Å
171F92.2Very high90.4Very high4 Ų450.8 Ų50.82%0.01828%0.277CS..SBendtrans-86.2-20.8170.7-69.9-59000112E173 L174 L185 L188 L193 P196 L229F171-E173 VanDerWaalsContact C-N 3.34Å; F171-E173 PolarHBondContact O-N 3.41Å; F171-L174 HydrophobicContact CD1-CD1 3.93Å; F171-L174 VanDerWaalsContact O-CB 3.28Å; F171-L174 WeakPolarHBondContact O-CB 3.42Å; F171-L174 PolarHBondContact O-N 3.17Å; F171-L174 VanDerWaalsContact O-N 3.08Å; F171-L185 HydrophobicContact CB-CD1 3.56Å; F171-L188 HydrophobicContact CB-CD1 4.25Å; F171-L188 HydrophobicContact CD1-CD1 3.93Å; F171-L188 HydrophobicContact CD2-CD1 4.31Å; F171-L188 HydrophobicContact CE1-CD1 4.32Å; F171-L188 HydrophobicContact CG-CD1 3.93Å; F171-L193 VanDerWaalsContact CD2-O 3.26Å; F171-L193 WeakPolarHBondContact CD2-O 3.3Å; F171-L193 HydrophobicContact CE2-CB 4.33Å; F171-L193 WeakPolarHBondContact CE2-O 3.42Å; F171-P196 HydrophobicContact CE1-CB 3.95Å; F171-P196 HydrophobicContact CZ-CB 4.07Å; F171-L229 HydrophobicContact CD1-CD1 4.28Å; F171-L229 HydrophobicContact CE1-CD1 3.88Å
172E90.4Very high90.4Very high78 Ų7852.4 Ų52.436%0.36428%0.279SS..Hα-helixtrans-60-40173.7-73.161.7-149.600111.9L174 Q175 S176 K189E172-L174 PolarHBondContact O-N 3.41Å; E172-L174 VanDerWaalsContact O-N 3.15Å; E172-Q175 WeakPolarHBondContact O-CB 3.33Å; E172-Q175 PolarHBondContact O-N 3.46Å; E172-S176 PolarHBondContact O-N 3.02Å; E172-K189 WeakPolarHBondContact OE1-CE 3.32Å; E172-K189 IonicContact OE1-NZ 3.81Å; E172-K189 PolarHBondContact OE1-NZ 3.02Å
173E89.2Confident90.6Very high31 Ų3153 Ų5315%0.14527%0.27CS..Hα-helixtrans-53.5-31.4171.8-77152-123.500112.8V168 C169 S170 F171 Q175 S176 E177V168-E173 VanDerWaalsContact CA-OE2 3.26Å; V168-E173 WeakPolarHBondContact CA-OE2 3.36Å; C169-E173 PolarHBondContact N-OE2 3.44Å; S170-E173 WeakPolarHBondContact CB-OE1 3.3Å; S170-E173 PolarHBondContact N-OE1 2.92Å; S170-E173 VanDerWaalsContact OG-CG 3.32Å; S170-E173 WeakPolarHBondContact OG-CG 3.49Å; S170-E173 PolarHBondContact OG-N 3.35Å; S170-E173 PolarHBondContact OG-OE1 3.38Å; F171-E173 VanDerWaalsContact C-N 3.34Å; F171-E173 PolarHBondContact O-N 3.41Å; E173-Q175 VanDerWaalsContact C-N 3.32Å; E173-Q175 PolarHBondContact O-N 3.15Å; E173-S176 PolarHBondContact O-OG 3.46Å; E173-E177 WeakPolarHBondContact O-CB 3.41Å; E173-E177 PolarHBondContact O-N 3.43Å
174L87.5Confident90.8Very high0 Ų047.2 Ų47.20%024%0.239CC..Hα-helixtrans-71.1-28.1178.1-55.1-178.3000112.8V168 F171 E172 Y178 R179 L180 I204 M208 L229V168-L174 HydrophobicContact CB-CD2 4.42Å; V168-L174 HydrophobicContact CG1-CD2 3.97Å; V168-L174 HydrophobicContact CG2-CD2 4.17Å; F171-L174 HydrophobicContact CD1-CD1 3.93Å; F171-L174 VanDerWaalsContact O-CB 3.28Å; F171-L174 WeakPolarHBondContact O-CB 3.42Å; F171-L174 PolarHBondContact O-N 3.17Å; F171-L174 VanDerWaalsContact O-N 3.08Å; E172-L174 PolarHBondContact O-N 3.41Å; E172-L174 VanDerWaalsContact O-N 3.15Å; L174-Y178 HydrophobicContact CD2-CD2 3.87Å; L174-Y178 HydrophobicContact CD2-CE2 4.36Å; L174-Y178 CarbonylContact O-C 3.5Å; L174-Y178 PolarHBondContact O-N 2.81Å; L174-R179 PolarHBondContact O-N 2.96Å; L174-L180 HydrophobicContact CB-CB 4.02Å; L174-L180 HydrophobicContact CB-CD2 3.79Å; L174-L180 HydrophobicContact CD1-CD2 4.19Å; L174-L180 VanDerWaalsContact O-CB 3.24Å; L174-L180 WeakPolarHBondContact O-CB 3.26Å; L174-L180 PolarHBondContact O-N 2.82Å; L174-I204 HydrophobicContact CD1-CD1 4.25Å; L174-I204 HydrophobicContact CD1-CG2 4.03Å; L174-I204 HydrophobicContact CD2-CG2 3.62Å; L174-M208 HydrophobicContact CD2-CE 4.19Å; L174-L229 HydrophobicContact CD1-CD1 4.44Å
175Q86.4Confident90.7Very high84 Ų8445.9 Ų45.939%0.39323%0.231SC..Hα-helixtrans-76.7-43.8175.5-173.4-179.6-1.700110.9E172 E173 R179 L185E172-Q175 WeakPolarHBondContact O-CB 3.33Å; E172-Q175 PolarHBondContact O-N 3.46Å; E173-Q175 VanDerWaalsContact C-N 3.32Å; E173-Q175 PolarHBondContact O-N 3.15Å; Q175-R179 WeakPolarHBondContact O-CA 3.43Å; Q175-R179 PolarHBondContact O-N 3.03Å; Q175-L185 HydrophobicContact CB-CD2 4.26Å
176S86.6Confident90.7Very high79 Ų7949.4 Ų49.455%0.55225%0.246SC*.Hα-helixtrans-74.2-43.9-177.457.10000113.6E172 E173E172-S176 PolarHBondContact O-N 3.02Å; E173-S176 PolarHBondContact O-OG 3.46Å
177E84.4Confident90.6Very high36 Ų3647.4 Ų47.417%0.16824%0.235CC..THydrogen-bonded Turntrans-85.4-49-177.8-61.4-168.8176.900112.4T117 S118 E173T117-E177 WeakPolarHBondContact CA-OE1 3.46Å; T117-E177 WeakPolarHBondContact CB-OE1 3.44Å; T117-E177 HydrophobicContact CG2-CG 4.37Å; T117-E177 WeakPolarHBondContact CG2-OE1 3.45Å; S118-E177 WeakPolarHBondContact CB-OE2 3.23Å; S118-E177 PolarHBondContact N-OE1 2.89Å; S118-E177 PolarHBondContact OG-OE1 2.86Å; S118-E177 PolarHBondContact OG-OE2 2.25Å; E173-E177 WeakPolarHBondContact O-CB 3.41Å; E173-E177 PolarHBondContact O-N 3.43Å
178Y83.8Confident90.5Very high42 Ų4247 Ų4717%0.16523%0.233CC..THydrogen-bonded Turntrans-1068.8-167.6-54.8-68.1000113.9V168 L174 L180 M208 H209V168-Y178 HydrophobicContact CG1-CE2 4.33Å; L174-Y178 HydrophobicContact CD2-CD2 3.87Å; L174-Y178 HydrophobicContact CD2-CE2 4.36Å; L174-Y178 CarbonylContact O-C 3.5Å; L174-Y178 PolarHBondContact O-N 2.81Å; Y178-L180 PolarHBondContact O-N 3.2Å; Y178-M208 HydrophobicContact CD1-CB 3.37Å; Y178-M208 HydrophobicContact CD1-CG 3.74Å; Y178-M208 HydrophobicContact CD1-SD 4.45Å; Y178-M208 HydrophobicContact CD2-CB 4.35Å; Y178-M208 HydrophobicContact CD2-CE 4.44Å; Y178-M208 HydrophobicContact CD2-CG 3.9Å; Y178-M208 HydrophobicContact CE1-CB 3.57Å; Y178-M208 HydrophobicContact CE1-CG 4.19Å; Y178-M208 HydrophobicContact CE2-CG 4.39Å; Y178-M208 HydrophobicContact CG-CB 3.8Å; Y178-M208 HydrophobicContact CG-CE 4.23Å; Y178-M208 HydrophobicContact CG-CG 3.58Å; Y178-M208 HydrophobicContact CG-SD 4.06Å; Y178-H209 AromaticContact CE1-CD2 3.69Å; Y178-H209 AromaticContact CE1-NE2 3.14Å; Y178-H209 WeakPolarHBondContact CE1-NE2 3.47Å; Y178-H209 AromaticContact CZ-NE2 3.08Å; Y178-H209 PolarHBondContact OH-NE2 3.41Å
179R86.4Confident90.4Very high209 Ų20951.1 Ų51.179%0.78925%0.251SS*.  trans53.735.5178.4-56.4-178.6177.9-172-2.8113.4L174 Q175 N181L174-R179 PolarHBondContact O-N 2.96Å; Q175-R179 WeakPolarHBondContact O-CA 3.43Å; Q175-R179 PolarHBondContact O-N 3.03Å; R179-N181 PolarHBondContact O-N 3.23Å
180L89.6Confident90.4Very high2 Ų253 Ų531%0.0126%0.256CS..  trans-53.3128.9173.7-178.467.3000109.7L174 Y178 V184 L185 A233L174-L180 HydrophobicContact CB-CB 4.02Å; L174-L180 HydrophobicContact CB-CD2 3.79Å; L174-L180 HydrophobicContact CD1-CD2 4.19Å; L174-L180 VanDerWaalsContact O-CB 3.24Å; L174-L180 WeakPolarHBondContact O-CB 3.26Å; L174-L180 PolarHBondContact O-N 2.82Å; Y178-L180 PolarHBondContact O-N 3.2Å; L180-V184 HydrophobicContact CD1-CB 4.09Å; L180-V184 HydrophobicContact CD1-CG1 3.94Å; L180-V184 HydrophobicContact CG-CB 4.34Å; L180-V184 HydrophobicContact CG-CG1 4.48Å; L180-L185 HydrophobicContact CD2-CB 4.47Å; L180-A233 HydrophobicContact CD1-CB 3.97Å
181N91.4Very high90.1Very high56 Ų5652.5 Ų52.530%0.29925%0.254SS..  trans-56.5127.6-177.9-179-44.3000110.2R179 R183 V184 L185R179-N181 PolarHBondContact O-N 3.23Å; N181-R183 PolarHBondContact O-N 3.4Å; N181-R183 VanDerWaalsContact O-N 3.07Å; N181-R183 WeakPolarHBondContact OD1-CB 3.14Å; N181-R183 PolarHBondContact OD1-N 3.21Å; N181-V184 HydrophobicContact CB-CG2 4.07Å; N181-V184 WeakPolarHBondContact O-CB 3.3Å; N181-V184 PolarHBondContact O-N 2.97Å; N181-L185 PolarHBondContact O-N 3.07Å
182P92.8Very high90Very high79 Ų7955 Ų5551%0.51328%0.281SS..Hα-helixtrans-54.4-32.1-175.9-27.133.9000114.1V184 L185 Q186P182-V184 VanDerWaalsContact C-N 3.35Å; P182-V184 PolarHBondContact O-N 3.21Å; P182-L185 PolarHBondContact O-N 3.49Å; P182-Q186 PolarHBondContact O-N 3.42Å
183R94.4Very high89.8Confident88 Ų8853.4 Ų53.433%0.33228%0.275SS..Hα-helixtrans-66.1-35.3176.2179.359.8-177.1160.42.3112.1N181 Q186 N187 D190 D267 V269N181-R183 PolarHBondContact O-N 3.4Å; N181-R183 VanDerWaalsContact O-N 3.07Å; N181-R183 WeakPolarHBondContact OD1-CB 3.14Å; N181-R183 PolarHBondContact OD1-N 3.21Å; R183-Q186 PolarHBondContact O-N 3.06Å; R183-N187 PolarHBondContact NE-OD1 3.01Å; R183-N187 VanDerWaalsContact NE-OD1 3.15Å; R183-N187 PolarHBondContact NH1-OD1 3.1Å; R183-N187 PolarHBondContact NH2-OD1 3.25Å; R183-N187 WeakPolarHBondContact O-CB 3.49Å; R183-N187 PolarHBondContact O-N 2.89Å; R183-N187 PolarHBondContact O-ND2 3.05Å; R183-N187 PolarHBondContact O-OD1 3.02Å; R183-D190 IonicContact NH1-OD2 2.72Å; R183-D267 WeakPolarHBondContact CG-O 3.4Å; R183-D267 IonicContact CZ-OD2 3.75Å; R183-D267 PolarHBondContact NE-O 3.23Å; R183-D267 IonicContact NE-OD2 4Å; R183-D267 IonicContact NH2-OD2 2.73Å; R183-D267 PolarHBondContact NH2-OD2 3.12Å; R183-V269 HydrophobicContact CB-CG2 3.98Å; R183-V269 HydrophobicContact CG-CG2 3.89Å
184V93.6Very high89.7Confident1 Ų157.6 Ų57.61%0.00630%0.298CS..Hα-helixtrans-68.1-38.2175-176.80000110.8L180 N181 P182 N187 L188 L229 L232 V269L180-V184 HydrophobicContact CD1-CB 4.09Å; L180-V184 HydrophobicContact CD1-CG1 3.94Å; L180-V184 HydrophobicContact CG-CB 4.34Å; L180-V184 HydrophobicContact CG-CG1 4.48Å; N181-V184 HydrophobicContact CB-CG2 4.07Å; N181-V184 WeakPolarHBondContact O-CB 3.3Å; N181-V184 PolarHBondContact O-N 2.97Å; P182-V184 VanDerWaalsContact C-N 3.35Å; P182-V184 PolarHBondContact O-N 3.21Å; V184-N187 PolarHBondContact O-N 3.09Å; V184-L188 PolarHBondContact O-N 3.4Å; V184-L188 VanDerWaalsContact O-N 3.1Å; V184-L229 HydrophobicContact CG1-CD2 3.75Å; V184-L232 HydrophobicContact CG1-CD1 4.29Å; V184-V269 HydrophobicContact CG2-CG2 3.84Å
185L92.5Very high89.9Confident6 Ų662.6 Ų62.63%0.03133%0.329CS..Hα-helixtrans-66-39.3173.5-176.563000111.6F171 Q175 L180 N181 P182 L188 K189F171-L185 HydrophobicContact CB-CD1 3.56Å; Q175-L185 HydrophobicContact CB-CD2 4.26Å; L180-L185 HydrophobicContact CD2-CB 4.47Å; N181-L185 PolarHBondContact O-N 3.07Å; P182-L185 PolarHBondContact O-N 3.49Å; L185-L188 HydrophobicContact CD1-CD1 4.33Å; L185-L188 WeakPolarHBondContact O-CB 3.33Å; L185-L188 PolarHBondContact O-N 3.29Å; L185-K189 PolarHBondContact O-N 2.94Å
186Q93.6Very high90.2Very high88 Ų8859.1 Ų59.141%0.41131%0.314SS..Hα-helixtrans-63.1-44.2172.7-169.559.94100111.4P182 R183 L188 K189 D190P182-Q186 PolarHBondContact O-N 3.42Å; R183-Q186 PolarHBondContact O-N 3.06Å; Q186-L188 PolarHBondContact O-N 3.42Å; Q186-K189 PolarHBondContact O-N 2.85Å; Q186-D190 PolarHBondContact NE2-OD1 3.32Å; Q186-D190 WeakPolarHBondContact O-CB 3.18Å; Q186-D190 VanDerWaalsContact O-CG 3.23Å; Q186-D190 PolarHBondContact O-N 2.88Å
187N94.2Very high90.5Very high9 Ų957.5 Ų57.55%0.04830%0.3CS..Hα-helixtrans-60.6-26.8176.9-65.4-18.7000113R183 V184 A191 L265 D267R183-N187 PolarHBondContact NE-OD1 3.01Å; R183-N187 VanDerWaalsContact NE-OD1 3.15Å; R183-N187 PolarHBondContact NH1-OD1 3.1Å; R183-N187 PolarHBondContact NH2-OD1 3.25Å; R183-N187 WeakPolarHBondContact O-CB 3.49Å; R183-N187 PolarHBondContact O-N 2.89Å; R183-N187 PolarHBondContact O-ND2 3.05Å; R183-N187 PolarHBondContact O-OD1 3.02Å; V184-N187 PolarHBondContact O-N 3.09Å; N187-A191 WeakPolarHBondContact O-CB 3.29Å; N187-A191 PolarHBondContact O-N 3.04Å; N187-L265 PolarHBondContact ND2-O 3.38Å; N187-D267 PolarHBondContact ND2-N 3.12Å; N187-D267 PolarHBondContact ND2-O 3.49Å
188L92.4Very high91Very high0 Ų057.6 Ų57.60%030%0.304CS..Hα-helixtrans-71.1-43.5169.9-73.1172.2000112.2F171 V184 L185 Q186 A191 G192 L193 L225 L229 L265F171-L188 HydrophobicContact CB-CD1 4.25Å; F171-L188 HydrophobicContact CD1-CD1 3.93Å; F171-L188 HydrophobicContact CD2-CD1 4.31Å; F171-L188 HydrophobicContact CE1-CD1 4.32Å; F171-L188 HydrophobicContact CG-CD1 3.93Å; V184-L188 PolarHBondContact O-N 3.4Å; V184-L188 VanDerWaalsContact O-N 3.1Å; L185-L188 HydrophobicContact CD1-CD1 4.33Å; L185-L188 WeakPolarHBondContact O-CB 3.33Å; L185-L188 PolarHBondContact O-N 3.29Å; Q186-L188 PolarHBondContact O-N 3.42Å; L188-A191 CarbonylContact O-C 3.56Å; L188-A191 WeakPolarHBondContact O-CA 3.35Å; L188-A191 WeakPolarHBondContact O-CB 3.5Å; L188-A191 PolarHBondContact O-N 3.49Å; L188-A191 VanDerWaalsContact O-N 3.12Å; L188-G192 PolarHBondContact O-N 3.39Å; L188-L193 HydrophobicContact CB-CB 4.39Å; L188-L193 HydrophobicContact CD2-CB 4.13Å; L188-L193 HydrophobicContact CD2-CD1 3.69Å; L188-L193 WeakPolarHBondContact O-CB 3.21Å; L188-L193 PolarHBondContact O-N 2.65Å; L188-L225 HydrophobicContact CD2-CD2 3.73Å; L188-L229 HydrophobicContact CD1-CD1 3.92Å; L188-L229 HydrophobicContact CD1-CD2 3.86Å; L188-L229 HydrophobicContact CD2-CD1 4.21Å; L188-L229 HydrophobicContact CD2-CD2 4.15Å; L188-L229 HydrophobicContact CG-CD2 4.2Å; L188-L265 HydrophobicContact CD2-CD2 3.57Å; L188-L265 HydrophobicContact CG-CD2 4.2Å
189K91.5Very high91.6Very high91 Ų9155.7 Ų55.740%0.39630%0.297SS..Hα-helixtrans-67.7-45.8179-66.7178.4-179.7-173.90111.4E172 L185 Q186 A191 G192E172-K189 WeakPolarHBondContact OE1-CE 3.32Å; E172-K189 IonicContact OE1-NZ 3.81Å; E172-K189 PolarHBondContact OE1-NZ 3.02Å; L185-K189 PolarHBondContact O-N 2.94Å; Q186-K189 PolarHBondContact O-N 2.85Å; K189-A191 PolarHBondContact O-N 3.32Å; K189-A191 VanDerWaalsContact O-N 3.14Å; K189-G192 PolarHBondContact O-N 2.99Å
190D92Very high92Very high100 Ų10045.9 Ų45.954%0.53526%0.26SS..THydrogen-bonded Turntrans-58.8-23.8170.6-62-10.4000111.8R183 Q186R183-D190 IonicContact NH1-OD2 2.72Å; Q186-D190 PolarHBondContact NE2-OD1 3.32Å; Q186-D190 WeakPolarHBondContact O-CB 3.18Å; Q186-D190 VanDerWaalsContact O-CG 3.23Å; Q186-D190 PolarHBondContact O-N 2.88Å
191A87.6Confident92.4Very high19 Ų1946.1 Ų46.116%0.15726%0.261CS..THydrogen-bonded Turntrans-85.9-5.6175.200000115.2N187 L188 K189 L193N187-A191 WeakPolarHBondContact O-CB 3.29Å; N187-A191 PolarHBondContact O-N 3.04Å; L188-A191 CarbonylContact O-C 3.56Å; L188-A191 WeakPolarHBondContact O-CA 3.35Å; L188-A191 WeakPolarHBondContact O-CB 3.5Å; L188-A191 PolarHBondContact O-N 3.49Å; L188-A191 VanDerWaalsContact O-N 3.12Å; K189-A191 PolarHBondContact O-N 3.32Å; K189-A191 VanDerWaalsContact O-N 3.14Å; A191-L193 VanDerWaalsContact C-N 3.34Å; A191-L193 HydrophobicContact CB-CD1 3.89Å; A191-L193 HydrophobicContact CB-CG 4.04Å
192G88.8Confident92.6Very high56 Ų5643.4 Ų43.458%0.57725%0.247SC*.THydrogen-bonded Turntrans75.618.2-173.600000114.2L188 K189 N194L188-G192 PolarHBondContact O-N 3.39Å; K189-G192 PolarHBondContact O-N 2.99Å; G192-N194 PolarHBondContact O-N 2.79Å
193L88Confident92.9Very high46 Ų4639.7 Ų39.724%0.24122%0.222CC..  trans-96.679.6-176.3-62.3170.8000109.9F171 L188 A191 L225F171-L193 VanDerWaalsContact CD2-O 3.26Å; F171-L193 WeakPolarHBondContact CD2-O 3.3Å; F171-L193 HydrophobicContact CE2-CB 4.33Å; F171-L193 WeakPolarHBondContact CE2-O 3.42Å; L188-L193 HydrophobicContact CB-CB 4.39Å; L188-L193 HydrophobicContact CD2-CB 4.13Å; L188-L193 HydrophobicContact CD2-CD1 3.69Å; L188-L193 WeakPolarHBondContact O-CB 3.21Å; L188-L193 PolarHBondContact O-N 2.65Å; A191-L193 VanDerWaalsContact C-N 3.34Å; A191-L193 HydrophobicContact CB-CD1 3.89Å; A191-L193 HydrophobicContact CB-CG 4.04Å; L193-L225 HydrophobicContact CD1-CD1 3.7Å; L193-L225 HydrophobicContact CD1-CD2 3.73Å; L193-L225 HydrophobicContact CD1-CG 4.37Å; L193-L225 HydrophobicContact CD2-CD1 4.2Å
194N86.4Confident93Very high118 Ų11835.5 Ų35.563%0.63121%0.206SC*.  trans-81.4-27.7-171.6-61.4-9.3000114.2G192G192-N194 PolarHBondContact O-N 2.79Å
195T90.7Very high93.1Very high106 Ų10635.4 Ų35.465%0.6521%0.206SC*.SBendtrans-139.6143.1-174.254.40000111.9
196P94.2Very high93.3Very high11 Ų1135.1 Ų35.17%0.07120%0.204CC..  trans-67.3136.8177.127.2-34000112.3C169 F171 Q200 M201C169-P196 WeakPolarHBondContact O-CD 3.42Å; C169-P196 WeakPolarHBondContact O-CG 3.42Å; F171-P196 HydrophobicContact CE1-CB 3.95Å; F171-P196 HydrophobicContact CZ-CB 4.07Å; P196-Q200 HydrophobicContact CB-CB 4.01Å; P196-M201 HydrophobicContact CB-CG 3.9Å; P196-M201 HydrophobicContact CG-CG 3.92Å
197T93.1Very high93.5Very high44 Ų4431 Ų3127%0.2719%0.185SC..  trans-73.6159.3170.672.70000111.1I199 Q200 M201 S221T197-I199 PolarHBondContact O-N 3.21Å; T197-Q200 WeakPolarHBondContact O-CA 3.43Å; T197-Q200 WeakPolarHBondContact O-CB 3.46Å; T197-Q200 PolarHBondContact O-N 3.46Å; T197-Q200 WeakPolarHBondContact OG1-CG 3.48Å; T197-Q200 PolarHBondContact OG1-NE2 3.22Å; T197-M201 WeakPolarHBondContact O-CG 3.24Å; T197-M201 PolarHBondContact O-N 2.97Å; T197-S221 WeakPolarHBondContact CB-O 3.42Å; T197-S221 PolarHBondContact OG1-O 3.33Å
198P94.3Very high93.5Very high39 Ų3932 Ų3225%0.25319%0.19SC..Hα-helixtrans-52.2-31-177.3-32.137.4000116.3H155 I157 I384H155-P198 HydrophobicContact CB-CB 4.11Å; H155-P198 HydrophobicContact CB-CG 4.06Å; I157-P198 HydrophobicContact CD1-CB 4.47Å; I157-P198 WeakPolarHBondContact CD1-O 3.47Å; I157-P198 HydrophobicContact CG1-CB 4.18Å; P198-I384 HydrophobicContact CB-CD1 4.05Å; P198-I384 HydrophobicContact CB-CG1 4.44Å; P198-I384 HydrophobicContact CB-CG2 3.88Å; P198-I384 WeakPolarHBondContact O-CD1 3.45Å
199I95.3Very high93.6Very high1 Ų137.1 Ų37.11%0.00521%0.214CC..Hα-helixtrans-76.6-35.8173.5-168.657.1000112.3T197 A203 A215 A217 S221 K223 A226 V382 I384T197-I199 PolarHBondContact O-N 3.21Å; I199-A203 HydrophobicContact CD1-CB 4.22Å; I199-A203 HydrophobicContact CG1-CB 4.38Å; I199-A203 WeakPolarHBondContact O-CB 3.42Å; I199-A203 PolarHBondContact O-N 3.48Å; I199-A215 HydrophobicContact CD1-CB 4Å; I199-A217 HydrophobicContact CB-CB 3.83Å; I199-A217 HydrophobicContact CD1-CB 4.15Å; I199-A217 HydrophobicContact CG1-CB 3.88Å; I199-A217 HydrophobicContact CG2-CB 4.28Å; I199-S221 VanDerWaalsContact CG2-O 3.24Å; I199-S221 WeakPolarHBondContact CG2-O 3.42Å; I199-K223 HydrophobicContact CG1-CG 4.4Å; I199-K223 HydrophobicContact CG2-CG 4.31Å; I199-A226 HydrophobicContact CG2-CB 4.38Å; I199-V382 HydrophobicContact CD1-CB 4.41Å; I199-V382 HydrophobicContact CD1-CG1 3.82Å; I199-I384 HydrophobicContact CB-CD1 4.45Å; I199-I384 HydrophobicContact CB-CG1 3.86Å; I199-I384 HydrophobicContact CD1-CD1 4.32Å; I199-I384 HydrophobicContact CD1-CG1 3.94Å; I199-I384 HydrophobicContact CG1-CG1 4.43Å
200Q96.4Very high93.7Very high4 Ų434.5 Ų34.52%0.01921%0.209CC..Hα-helixtrans-65.9-46.7175.9-66.7162.26.200110.5P196 T197 Q202 A203 I204 G222 L225 A226P196-Q200 HydrophobicContact CB-CB 4.01Å; T197-Q200 WeakPolarHBondContact O-CA 3.43Å; T197-Q200 WeakPolarHBondContact O-CB 3.46Å; T197-Q200 PolarHBondContact O-N 3.46Å; T197-Q200 WeakPolarHBondContact OG1-CG 3.48Å; T197-Q200 PolarHBondContact OG1-NE2 3.22Å; Q200-Q202 PolarHBondContact O-N 3.41Å; Q200-Q202 VanDerWaalsContact O-N 3.14Å; Q200-A203 PolarHBondContact O-N 3.06Å; Q200-I204 HydrophobicContact CB-CD1 3.76Å; Q200-I204 HydrophobicContact CB-CG1 4.36Å; Q200-I204 HydrophobicContact CG-CD1 4.34Å; Q200-I204 VanDerWaalsContact O-CB 3.3Å; Q200-I204 WeakPolarHBondContact O-CB 3.3Å; Q200-I204 VanDerWaalsContact O-CG1 3.23Å; Q200-I204 WeakPolarHBondContact O-CG1 3.28Å; Q200-I204 PolarHBondContact O-N 3.39Å; Q200-I204 VanDerWaalsContact O-N 3.08Å; Q200-G222 PolarHBondContact NE2-O 2.99Å; Q200-L225 HydrophobicContact CG-CB 4.42Å; Q200-A226 HydrophobicContact CB-CB 4.37Å; Q200-A226 HydrophobicContact CG-CB 3.73Å
201M96.6Very high93.9Very high6 Ų631 Ų313%0.0319%0.188CC..Hα-helixtrans-46.4-47.1178.7-64.9177.181.300112.1I151 H155 I157 P167 V168 P196 T197 P205I151-M201 HydrophobicContact CG2-CE 3.75Å; H155-M201 HydrophobicContact CB-SD 4.2Å; I157-M201 HydrophobicContact CD1-CB 4.18Å; I157-M201 HydrophobicContact CD1-SD 4.27Å; P167-M201 CarbonylContact C-O 3.57Å; P167-M201 VanDerWaalsContact CA-O 3.23Å; P167-M201 WeakPolarHBondContact CA-O 3.48Å; P167-M201 HydrophobicContact CB-CB 4.14Å; V168-M201 PolarHBondContact N-O 2.98Å; V168-M201 WeakPolarHBondContact O-CA 3.45Å; V168-M201 WeakPolarHBondContact O-CB 3.35Å; V168-M201 VanDerWaalsContact O-CG 3.26Å; V168-M201 WeakPolarHBondContact O-CG 3.28Å; P196-M201 HydrophobicContact CB-CG 3.9Å; P196-M201 HydrophobicContact CG-CG 3.92Å; T197-M201 WeakPolarHBondContact O-CG 3.24Å; T197-M201 PolarHBondContact O-N 2.97Å; M201-P205 WeakPolarHBondContact O-CD 3.45Å; M201-P205 WeakPolarHBondContact O-CG 3.48Å
202Q97.2Very high94.3Very high0 Ų030.4 Ų30.40%018%0.182CC..Hα-helixtrans-99.6-32.1-175.4-171.861.690.700114.8I157 V159 P165 Q200 L206 V382I157-Q202 HydrophobicContact CD1-CB 4.44Å; I157-Q202 HydrophobicContact CG2-CB 3.75Å; I157-Q202 HydrophobicContact CG2-CG 3.94Å; V159-Q202 HydrophobicContact CG2-CG 3.78Å; P165-Q202 PolarHBondContact O-NE2 3.09Å; Q200-Q202 PolarHBondContact O-N 3.41Å; Q200-Q202 VanDerWaalsContact O-N 3.14Å; Q202-L206 HydrophobicContact CG-CD1 4.25Å; Q202-L206 WeakPolarHBondContact O-CD1 3.32Å; Q202-L206 WeakPolarHBondContact O-CG 3.28Å; Q202-V382 HydrophobicContact CB-CG1 4.29Å; Q202-V382 HydrophobicContact CG-CG1 4.21Å; Q202-V382 HydrophobicContact CG-CG2 3.98Å
203A97.7Very high94.7Very high0 Ų027.7 Ų27.70%015%0.154CC..Hα-helixtrans-78.8-31.5-177.300000113.2I199 Q200 M207 L213 A226 F360I199-A203 HydrophobicContact CD1-CB 4.22Å; I199-A203 HydrophobicContact CG1-CB 4.38Å; I199-A203 WeakPolarHBondContact O-CB 3.42Å; I199-A203 PolarHBondContact O-N 3.48Å; Q200-A203 PolarHBondContact O-N 3.06Å; A203-M207 PolarHBondContact O-N 3.12Å; A203-M207 VanDerWaalsContact O-N 3.12Å; A203-L213 HydrophobicContact CB-CD1 3.82Å; A203-A226 HydrophobicContact CB-CB 4.32Å; A203-F360 HydrophobicContact CB-CE1 4.23Å; A203-F360 HydrophobicContact CB-CZ 4.24Å
204I97.1Very high95.2Very high0 Ų025.7 Ų25.70%014%0.144CC..Hα-helixtrans-60.7-58.3176.4-64.2174.2000111L174 Q200 L206 M207 M208 L229 P230L174-I204 HydrophobicContact CD1-CD1 4.25Å; L174-I204 HydrophobicContact CD1-CG2 4.03Å; L174-I204 HydrophobicContact CD2-CG2 3.62Å; Q200-I204 HydrophobicContact CB-CD1 3.76Å; Q200-I204 HydrophobicContact CB-CG1 4.36Å; Q200-I204 HydrophobicContact CG-CD1 4.34Å; Q200-I204 VanDerWaalsContact O-CB 3.3Å; Q200-I204 WeakPolarHBondContact O-CB 3.3Å; Q200-I204 VanDerWaalsContact O-CG1 3.23Å; Q200-I204 WeakPolarHBondContact O-CG1 3.28Å; Q200-I204 PolarHBondContact O-N 3.39Å; Q200-I204 VanDerWaalsContact O-N 3.08Å; I204-L206 VanDerWaalsContact C-N 3.28Å; I204-L206 PolarHBondContact O-N 3.06Å; I204-M207 PolarHBondContact O-N 2.78Å; I204-M208 HydrophobicContact CG2-CE 3.8Å; I204-M208 HydrophobicContact CG2-CG 4.16Å; I204-M208 WeakPolarHBondContact O-CG 3.41Å; I204-M208 PolarHBondContact O-N 3.29Å; I204-L229 HydrophobicContact CD1-CB 4.32Å; I204-L229 HydrophobicContact CD1-CD1 3.86Å; I204-P230 HydrophobicContact CG2-CB 4.43Å; I204-P230 HydrophobicContact CG2-CG 4.46Å
205P96.3Very high95.7Very high0 Ų020 Ų200%011%0.114CC..Hα-helixtrans-61.9-33.6-179.322.4-33.1000112.8P165 D166 V168 M201 M207 M208 H209P165-P205 HydrophobicContact CB-CB 4.28Å; P165-P205 HydrophobicContact CG-CB 4.06Å; D166-P205 WeakPolarHBondContact O-CG 3.43Å; V168-P205 HydrophobicContact CG1-CB 4.26Å; V168-P205 HydrophobicContact CG1-CG 4.14Å; M201-P205 WeakPolarHBondContact O-CD 3.45Å; M201-P205 WeakPolarHBondContact O-CG 3.48Å; P205-M207 VanDerWaalsContact C-N 3.34Å; P205-M207 PolarHBondContact O-N 3.01Å; P205-M208 PolarHBondContact O-N 2.96Å; P205-H209 WeakPolarHBondContact O-CB 3.32Å; P205-H209 PolarHBondContact O-CD2 3.42Å; P205-H209 PolarHBondContact O-N 2.85Å
206L96.9Very high95.9Very high0 Ų015.3 Ų15.30%09%0.085CC..Hα-helixtrans-57.6-44.5171.8-83167.2000112.7P165 Q202 I204 A210 R211 L213 V380 V382P165-L206 HydrophobicContact CG-CD2 4.16Å; P165-L206 HydrophobicContact CG-CG 4.23Å; Q202-L206 HydrophobicContact CG-CD1 4.25Å; Q202-L206 WeakPolarHBondContact O-CD1 3.32Å; Q202-L206 WeakPolarHBondContact O-CG 3.28Å; I204-L206 VanDerWaalsContact C-N 3.28Å; I204-L206 PolarHBondContact O-N 3.06Å; L206-A210 PolarHBondContact O-N 3.28Å; L206-R211 HydrophobicContact CD2-CB 4.02Å; L206-R211 HydrophobicContact CD2-CG 4.2Å; L206-R211 WeakPolarHBondContact O-CB 3.48Å; L206-R211 PolarHBondContact O-N 2.89Å; L206-L213 HydrophobicContact CB-CD1 4.25Å; L206-L213 HydrophobicContact CD1-CD1 4.21Å; L206-V380 HydrophobicContact CD1-CB 4.17Å; L206-V380 HydrophobicContact CD1-CG1 3.7Å; L206-V380 HydrophobicContact CD2-CB 3.87Å; L206-V380 HydrophobicContact CD2-CG1 3.86Å; L206-V380 HydrophobicContact CD2-CG2 3.68Å; L206-V380 HydrophobicContact CG-CG1 4.47Å; L206-V382 HydrophobicContact CD1-CG2 3.44Å; L206-V382 VanDerWaalsContact CD1-CG2 3.44Å
207M96.6Very high95.6Very high1 Ų114.9 Ų14.91%0.0058%0.082CC..Hα-helixtrans-72.8-34.9176.1-69.5-178.165.300112.4A203 I204 P205 H209 A210 L213 F227 P230 L231 W322 V324 A358 F360A203-M207 PolarHBondContact O-N 3.12Å; A203-M207 VanDerWaalsContact O-N 3.12Å; I204-M207 PolarHBondContact O-N 2.78Å; P205-M207 VanDerWaalsContact C-N 3.34Å; P205-M207 PolarHBondContact O-N 3.01Å; M207-H209 VanDerWaalsContact C-N 3.29Å; M207-H209 PolarHBondContact O-N 2.96Å; M207-A210 PolarHBondContact O-N 3.07Å; M207-L213 HydrophobicContact CG-CD2 3.47Å; M207-L213 VanDerWaalsContact CG-CD2 3.47Å; M207-L213 HydrophobicContact SD-CD2 4.19Å; M207-F227 HydrophobicContact CE-CB 4.06Å; M207-F227 HydrophobicContact SD-CB 3.96Å; M207-P230 HydrophobicContact CB-CB 3.51Å; M207-P230 HydrophobicContact CB-CG 3.6Å; M207-P230 HydrophobicContact CE-CG 3.94Å; M207-P230 HydrophobicContact CG-CG 4.22Å; M207-P230 HydrophobicContact SD-CG 3.74Å; M207-L231 HydrophobicContact CE-CG 4.38Å; M207-W322 HydrophobicContact CB-CH2 3.92Å; M207-W322 HydrophobicContact CB-CZ2 4.2Å; M207-W322 HydrophobicContact CE-CD2 4.25Å; M207-W322 HydrophobicContact CE-CE3 3.81Å; M207-W322 HydrophobicContact CE-CH2 4.22Å; M207-W322 HydrophobicContact CE-CZ3 3.8Å; M207-W322 HydrophobicContact CG-CH2 3.91Å; M207-W322 HydrophobicContact CG-CZ3 4.13Å; M207-W322 WeakPolarHBondContact O-CZ2 3.49Å; M207-V324 HydrophobicContact CE-CG2 4.25Å; M207-A358 HydrophobicContact CE-CB 4.15Å; M207-A358 HydrophobicContact SD-CB 4.04Å; M207-F360 HydrophobicContact SD-CE2 4Å; M207-F360 HydrophobicContact SD-CZ 3.98Å
208M94.4Very high95.1Very high31 Ų3114.1 Ų14.115%0.1538%0.078CC..Hα-helixtrans-61-39.5173.3-61.9-62.8-164.100111.8L174 Y178 I204 P205 A210 P230 A233L174-M208 HydrophobicContact CD2-CE 4.19Å; Y178-M208 HydrophobicContact CD1-CB 3.37Å; Y178-M208 HydrophobicContact CD1-CG 3.74Å; Y178-M208 HydrophobicContact CD1-SD 4.45Å; Y178-M208 HydrophobicContact CD2-CB 4.35Å; Y178-M208 HydrophobicContact CD2-CE 4.44Å; Y178-M208 HydrophobicContact CD2-CG 3.9Å; Y178-M208 HydrophobicContact CE1-CB 3.57Å; Y178-M208 HydrophobicContact CE1-CG 4.19Å; Y178-M208 HydrophobicContact CE2-CG 4.39Å; Y178-M208 HydrophobicContact CG-CB 3.8Å; Y178-M208 HydrophobicContact CG-CE 4.23Å; Y178-M208 HydrophobicContact CG-CG 3.58Å; Y178-M208 HydrophobicContact CG-SD 4.06Å; I204-M208 HydrophobicContact CG2-CE 3.8Å; I204-M208 HydrophobicContact CG2-CG 4.16Å; I204-M208 WeakPolarHBondContact O-CG 3.41Å; I204-M208 PolarHBondContact O-N 3.29Å; P205-M208 PolarHBondContact O-N 2.96Å; M208-A210 PolarHBondContact O-N 3.31Å; M208-P230 HydrophobicContact CE-CB 4.2Å; M208-P230 HydrophobicContact CG-CB 4.29Å; M208-P230 HydrophobicContact SD-CB 3.83Å; M208-A233 HydrophobicContact CE-CB 3.57Å; M208-A233 HydrophobicContact SD-CB 3.72Å
209H93.8Very high94.5Very high107 Ų10712.9 Ų12.950%0.4957%0.069SC..THydrogen-bonded Turntrans-78.814.8173.6-75.7-109.8000113.7P165 Y178 P205 M207 R211P165-H209 HydrophobicContact CG-CB 4.41Å; Y178-H209 AromaticContact CE1-CD2 3.69Å; Y178-H209 AromaticContact CE1-NE2 3.14Å; Y178-H209 WeakPolarHBondContact CE1-NE2 3.47Å; Y178-H209 AromaticContact CZ-NE2 3.08Å; Y178-H209 PolarHBondContact OH-NE2 3.41Å; P205-H209 WeakPolarHBondContact O-CB 3.32Å; P205-H209 PolarHBondContact O-CD2 3.42Å; P205-H209 PolarHBondContact O-N 2.85Å; M207-H209 VanDerWaalsContact C-N 3.29Å; M207-H209 PolarHBondContact O-N 2.96Å; H209-R211 HydrophobicContact CB-CG 4.36Å; H209-R211 PolarHBondContact O-N 3.34Å; H209-R211 VanDerWaalsContact O-N 3.17Å
210A94.6Very high93.6Very high35 Ų3515 Ų1529%0.2899%0.092SC..THydrogen-bonded Turntrans54.333.3176.500000115L206 M207 M208 R356L206-A210 PolarHBondContact O-N 3.28Å; M207-A210 PolarHBondContact O-N 3.07Å; M208-A210 PolarHBondContact O-N 3.31Å; A210-R356 HydrophobicContact CB-CG 4.3Å; A210-R356 WeakPolarHBondContact O-CD 3.42Å; A210-R356 PolarHBondContact O-NE 3.38Å
211R96.1Very high93Very high28 Ų2816 Ų1611%0.10610%0.099CC..  trans-88.7141.2176.5-61.5-64.7-60.9-741.3111.6C162 D163 L206 H209 N378C162-R211 VanDerWaalsContact O-CZ 3.31Å; C162-R211 PolarHBondContact O-NH1 2.78Å; C162-R211 PolarHBondContact O-NH2 2.96Å; D163-R211 VanDerWaalsContact C-NH1 3.33Å; D163-R211 PolarHBondContact O-NH1 2.92Å; L206-R211 HydrophobicContact CD2-CB 4.02Å; L206-R211 HydrophobicContact CD2-CG 4.2Å; L206-R211 WeakPolarHBondContact O-CB 3.48Å; L206-R211 PolarHBondContact O-N 2.89Å; H209-R211 HydrophobicContact CB-CG 4.36Å; H209-R211 PolarHBondContact O-N 3.34Å; H209-R211 VanDerWaalsContact O-N 3.17Å; R211-N378 PolarHBondContact NH2-ND2 3.35Å; R211-N378 PolarHBondContact NH2-O 2.84Å; R211-N378 PolarHBondContact NH2-OD1 3.45Å
212E96.6Very high92.6Very high5 Ų516.7 Ų16.72%0.02311%0.108CC..  trans-80.1136.2170.6-50.3-149.8127.200110.1R356 R357 L376 D377 V380E212-R356 WeakPolarHBondContact OE1-CA 3.45Å; E212-R357 VanDerWaalsContact CA-O 3.28Å; E212-R357 WeakPolarHBondContact CA-O 3.48Å; E212-R357 WeakPolarHBondContact CB-O 3.47Å; E212-R357 VanDerWaalsContact OE1-CB 3.23Å; E212-R357 WeakPolarHBondContact OE1-CB 3.38Å; E212-R357 WeakPolarHBondContact OE1-CD 3.45Å; E212-R357 WeakPolarHBondContact OE1-CG 3.19Å; E212-R357 PolarHBondContact OE1-N 2.86Å; E212-R357 IonicContact OE1-NE 3.21Å; E212-L376 HydrophobicContact CB-CB 4.27Å; E212-L376 WeakPolarHBondContact OE2-CA 3.35Å; E212-L376 WeakPolarHBondContact OE2-CB 3.26Å; E212-L376 WeakPolarHBondContact OE2-CD2 3.41Å; E212-D377 PolarHBondContact OE2-N 2.92Å; E212-V380 PolarHBondContact O-N 3.23Å
213L97.4Very high92.4Very high0 Ų017.4 Ų17.40%011%0.111CC..EExtended strand (participates in β ladder)trans-141.4153.6-171.474.3159.5000115.2A203 L206 M207 A215 R357 A358 F359 V380A203-L213 HydrophobicContact CB-CD1 3.82Å; L206-L213 HydrophobicContact CB-CD1 4.25Å; L206-L213 HydrophobicContact CD1-CD1 4.21Å; M207-L213 HydrophobicContact CG-CD2 3.47Å; M207-L213 VanDerWaalsContact CG-CD2 3.47Å; M207-L213 HydrophobicContact SD-CD2 4.19Å; L213-A215 HydrophobicContact CD1-CB 4.09Å; L213-R357 PolarHBondContact N-O 3.46Å; L213-A358 HydrophobicContact CD2-CB 3.48Å; L213-A358 VanDerWaalsContact CD2-CB 3.48Å; L213-A358 HydrophobicContact CG-CB 4.25Å; L213-F359 PolarHBondContact O-N 2.91Å; L213-V380 CarbonylContact C-O 3.57Å; L213-V380 WeakPolarHBondContact CA-O 3.41Å; L213-V380 WeakPolarHBondContact CB-O 3.44Å
214L97.4Very high92.2Very high3 Ų318.8 Ų18.82%0.01612%0.119CC..EExtended strand (participates in β ladder)trans-112.8106.7164.3174.458.2000108.9F359 V368 E369 C372 L379 V380 S381 V382L214-F359 CarbonylContact C-O 3.37Å; L214-F359 WeakPolarHBondContact CA-O 3.41Å; L214-F359 HydrophobicContact CD1-CB 3.81Å; L214-V368 HydrophobicContact CD1-CG1 3.87Å; L214-V368 HydrophobicContact CD2-CG1 4.45Å; L214-E369 HydrophobicContact CD2-CB 4.17Å; L214-E369 HydrophobicContact CD2-CG 4.18Å; L214-C372 HydrophobicContact CD2-CB 4.28Å; L214-L379 HydrophobicContact CB-CD1 4.23Å; L214-V380 PolarHBondContact N-O 3.19Å; L214-S381 WeakPolarHBondContact O-CA 3.24Å; L214-V382 PolarHBondContact O-N 2.83Å
215A96.8Very high92.1Very high0 Ų019.4 Ų19.40%012%0.123CC..EExtended strand (participates in β ladder)trans-102.397.1-175.500000111.4I199 L213 F359 F360 S361I199-A215 HydrophobicContact CD1-CB 4Å; L213-A215 HydrophobicContact CD1-CB 4.09Å; A215-F359 PolarHBondContact N-O 3.35Å; A215-F360 HydrophobicContact CB-CD1 3.4Å; A215-F360 HydrophobicContact CB-CD2 4.36Å; A215-F360 HydrophobicContact CB-CE1 3.35Å; A215-F360 HydrophobicContact CB-CE2 4.31Å; A215-F360 HydrophobicContact CB-CG 3.94Å; A215-F360 HydrophobicContact CB-CZ 3.84Å; A215-F360 WeakPolarHBondContact O-CA 3.42Å; A215-S361 PolarHBondContact O-N 2.86Å
216C94.6Very high92.1Very high7 Ų719.4 Ų19.45%0.04712%0.123CC..EExtended strand (participates in β ladder)trans-100.7112179.7-69.70000111.1C364 V382 N383 I384C216-C364 HydrophobicContact CB-CB 4Å; C216-V382 PolarHBondContact N-O 2.89Å; C216-N383 WeakPolarHBondContact CB-OD1 3.29Å; C216-N383 WeakPolarHBondContact O-CA 2.99Å; C216-I384 PolarHBondContact O-N 2.9Å
217A89.6Confident92.1Very high2 Ų219.4 Ų19.42%0.01712%0.123CC..  trans-151.2145.5175.200000110.1I199 S221 K223 S361 A362 I384I199-A217 HydrophobicContact CB-CB 3.83Å; I199-A217 HydrophobicContact CD1-CB 4.15Å; I199-A217 HydrophobicContact CG1-CB 3.88Å; I199-A217 HydrophobicContact CG2-CB 4.28Å; A217-S221 WeakPolarHBondContact CB-OG 3.22Å; A217-K223 HydrophobicContact CB-CD 4.33Å; A217-K223 HydrophobicContact CB-CG 4.27Å; A217-K223 PolarHBondContact O-NZ 3.14Å; A217-S361 PolarHBondContact N-O 3.32Å; A217-S361 VanDerWaalsContact N-O 3.09Å; A217-A362 WeakPolarHBondContact O-CA 3.39Å; A217-I384 HydrophobicContact CB-CB 3.94Å; A217-I384 HydrophobicContact CB-CG1 3.77Å
218P82.4Confident92.1Very high27 Ų2719.3 Ų19.318%0.17512%0.122CC..  trans-61.7164.5-172.525.4-35.3000113.3G220 S221 K223 V391P218-G220 PolarHBondContact O-N 2.84Å; P218-S221 VanDerWaalsContact O-CB 3.27Å; P218-S221 WeakPolarHBondContact O-CB 3.38Å; P218-S221 PolarHBondContact O-N 3.4Å; P218-S221 PolarHBondContact O-OG 2.93Å; P218-K223 PolarHBondContact O-NZ 3.33Å; P218-V391 HydrophobicContact CB-CG2 4.01Å; P218-V391 HydrophobicContact CG-CG2 4.48Å
219T80.3Confident92.2Very high13 Ų1317.9 Ų17.98%0.0812%0.115CC..THydrogen-bonded Turntrans-63136.2178.3-56.60000110.6V391 G509T219-V391 WeakPolarHBondContact O-CG2 3.46Å; T219-G509 WeakPolarHBondContact CG2-O 3.4Å
220G76.8Confident92.2Very high47 Ų4712.8 Ų12.849%0.4859%0.092SC..THydrogen-bonded Turntrans92.9-13.3-17400000115.3P218 G222P218-G220 PolarHBondContact O-N 2.84Å; G220-G222 PolarHBondContact O-N 3.35Å
221S83Confident92.3Very high24 Ų2411.1 Ų11.117%0.1688%0.078CC..SBendtrans-66.91.5179.557.50000116.4T197 I199 A217 P218T197-S221 WeakPolarHBondContact CB-O 3.42Å; T197-S221 PolarHBondContact OG1-O 3.33Å; I199-S221 VanDerWaalsContact CG2-O 3.24Å; I199-S221 WeakPolarHBondContact CG2-O 3.42Å; A217-S221 WeakPolarHBondContact CB-OG 3.22Å; P218-S221 VanDerWaalsContact O-CB 3.27Å; P218-S221 WeakPolarHBondContact O-CB 3.38Å; P218-S221 PolarHBondContact O-N 3.4Å; P218-S221 PolarHBondContact O-OG 2.93Å
222G88.8Confident92.2Very high20 Ų2010 Ų1021%0.2067%0.074CC..  trans82.821.3178.800000115.9Q200 G220 T224 L225 A226Q200-G222 PolarHBondContact NE2-O 2.99Å; G220-G222 PolarHBondContact O-N 3.35Å; G222-T224 VanDerWaalsContact C-N 3.26Å; G222-T224 PolarHBondContact O-N 3.19Å; G222-L225 PolarHBondContact O-N 2.99Å; G222-A226 PolarHBondContact O-N 3.18Å
223K93.3Very high92Very high16 Ų1610.1 Ų10.17%0.078%0.076CC..Hα-helixtrans-49.5-38.7178.1-69.2-164.6-63.1-77.10114.6I199 A217 P218 L225 A226 F227 F360 S361I199-K223 HydrophobicContact CG1-CG 4.4Å; I199-K223 HydrophobicContact CG2-CG 4.31Å; A217-K223 HydrophobicContact CB-CD 4.33Å; A217-K223 HydrophobicContact CB-CG 4.27Å; A217-K223 PolarHBondContact O-NZ 3.14Å; P218-K223 PolarHBondContact O-NZ 3.33Å; K223-L225 PolarHBondContact O-N 2.81Å; K223-A226 VanDerWaalsContact O-CB 3.31Å; K223-A226 WeakPolarHBondContact O-CB 3.31Å; K223-A226 PolarHBondContact O-N 3.25Å; K223-F227 WeakPolarHBondContact O-CD1 3.37Å; K223-F227 PolarHBondContact O-N 3.03Å; K223-F360 HydrophobicContact CB-CD1 3.93Å; K223-F360 HydrophobicContact CD-CB 4.26Å; K223-F360 HydrophobicContact CD-CD1 4.09Å; K223-F360 HydrophobicContact CG-CD1 4.14Å; K223-S361 VanDerWaalsContact CD-O 3.3Å; K223-S361 WeakPolarHBondContact CD-O 3.28Å; K223-S361 VanDerWaalsContact CE-O 3.28Å; K223-S361 WeakPolarHBondContact CE-O 3.34Å; K223-S361 PolarHBondContact NZ-O 2.81Å
224T94.2Very high91.8Very high28 Ų2813.7 Ų13.717%0.1729%0.093CC..Hα-helixtrans-59.5-44.5-178.6-45.80000112.2G222 A226 F227 S228 T258 E261G222-T224 VanDerWaalsContact C-N 3.26Å; G222-T224 PolarHBondContact O-N 3.19Å; T224-A226 VanDerWaalsContact C-N 3.34Å; T224-F227 HydrophobicContact CG2-CE2 4.2Å; T224-F227 HydrophobicContact CG2-CZ 3.95Å; T224-F227 WeakPolarHBondContact O-CD2 3.38Å; T224-S228 WeakPolarHBondContact O-CB 3.21Å; T224-S228 PolarHBondContact O-N 3.37Å; T224-S228 PolarHBondContact O-OG 3.34Å; T224-T258 HydrophobicContact CG2-CG2 4.09Å; T224-E261 HydrophobicContact CG2-CB 4.06Å; T224-E261 HydrophobicContact CG2-CG 4.17Å
225L94.5Very high91.6Very high13 Ų1313.8 Ų13.87%0.0689%0.093CC..Hα-helixtrans-64.4-38.9173.6-74.2151.5000111.7L188 L193 Q200 G222 K223 F227 S228 L229 L265L188-L225 HydrophobicContact CD2-CD2 3.73Å; L193-L225 HydrophobicContact CD1-CD1 3.7Å; L193-L225 HydrophobicContact CD1-CD2 3.73Å; L193-L225 HydrophobicContact CD1-CG 4.37Å; L193-L225 HydrophobicContact CD2-CD1 4.2Å; Q200-L225 HydrophobicContact CG-CB 4.42Å; G222-L225 PolarHBondContact O-N 2.99Å; K223-L225 PolarHBondContact O-N 2.81Å; L225-F227 PolarHBondContact O-N 2.9Å; L225-S228 PolarHBondContact O-N 3.14Å; L225-L229 WeakPolarHBondContact O-CG 3.23Å; L225-L229 PolarHBondContact O-N 2.84Å; L225-L265 HydrophobicContact CD2-CD1 3.76Å; L225-L265 HydrophobicContact CD2-CD2 3.72Å; L225-L265 HydrophobicContact CD2-CG 4.3Å
226A96.5Very high91.3Very high0 Ų019.6 Ų19.60%012%0.12CC..Hα-helixtrans-61.8-25.7-177.900000113.7I199 Q200 A203 G222 K223 T224 P230 F360I199-A226 HydrophobicContact CG2-CB 4.38Å; Q200-A226 HydrophobicContact CB-CB 4.37Å; Q200-A226 HydrophobicContact CG-CB 3.73Å; A203-A226 HydrophobicContact CB-CB 4.32Å; G222-A226 PolarHBondContact O-N 3.18Å; K223-A226 VanDerWaalsContact O-CB 3.31Å; K223-A226 WeakPolarHBondContact O-CB 3.31Å; K223-A226 PolarHBondContact O-N 3.25Å; T224-A226 VanDerWaalsContact C-N 3.34Å; A226-P230 WeakPolarHBondContact O-CD 3.15Å; A226-P230 VanDerWaalsContact O-CG 3.32Å; A226-P230 WeakPolarHBondContact O-CG 3.36Å; A226-F360 HydrophobicContact CB-CE1 3.96Å; A226-F360 HydrophobicContact CB-CZ 4.48Å
227F97.1Very high91.1Very high0 Ų025.6 Ų25.60%015%0.148CC..Hα-helixtrans-99.5-33.9166.760.2-109.4000114.1M207 K223 T224 L225 L229 P230 L231 V247 T258 V324 D326 F360M207-F227 HydrophobicContact CE-CB 4.06Å; M207-F227 HydrophobicContact SD-CB 3.96Å; K223-F227 WeakPolarHBondContact O-CD1 3.37Å; K223-F227 PolarHBondContact O-N 3.03Å; T224-F227 HydrophobicContact CG2-CE2 4.2Å; T224-F227 HydrophobicContact CG2-CZ 3.95Å; T224-F227 WeakPolarHBondContact O-CD2 3.38Å; L225-F227 PolarHBondContact O-N 2.9Å; F227-L229 PolarHBondContact O-N 3.34Å; F227-P230 WeakPolarHBondContact O-CD 3.36Å; F227-P230 WeakPolarHBondContact O-CG 3.41Å; F227-L231 HydrophobicContact CD2-CD1 4.21Å; F227-L231 WeakPolarHBondContact O-CB 3.47Å; F227-L231 WeakPolarHBondContact O-CG 3.17Å; F227-L231 PolarHBondContact O-N 3.47Å; F227-L231 VanDerWaalsContact O-N 3.09Å; F227-V247 HydrophobicContact CE2-CG1 3.96Å; F227-V247 HydrophobicContact CE2-CG2 4.37Å; F227-V247 HydrophobicContact CZ-CG1 4.14Å; F227-T258 HydrophobicContact CE2-CG2 3.64Å; F227-T258 HydrophobicContact CZ-CG2 3.84Å; F227-V324 HydrophobicContact CB-CG1 4.05Å; F227-V324 HydrophobicContact CB-CG2 4.27Å; F227-V324 HydrophobicContact CD1-CG1 3.85Å; F227-V324 HydrophobicContact CD2-CG1 4.04Å; F227-V324 HydrophobicContact CE1-CG1 4.19Å; F227-V324 HydrophobicContact CE2-CG1 4.4Å; F227-V324 HydrophobicContact CG-CG1 3.76Å; F227-V324 HydrophobicContact CZ-CG1 4.45Å; F227-D326 HydrophobicContact CE1-CB 4.14Å; F227-D326 HydrophobicContact CZ-CB 4.26Å; F227-F360 HydrophobicContact CB-CD2 4.22Å; F227-F360 HydrophobicContact CB-CE2 3.59Å; F227-F360 HydrophobicContact CB-CZ 3.81Å; F227-F360 HydrophobicContact CD1-CB 4.45Å; F227-F360 HydrophobicContact CD1-CD1 4.11Å; F227-F360 AromaticContact CD1-CD2 3.67Å; F227-F360 HydrophobicContact CD1-CD2 3.67Å; F227-F360 HydrophobicContact CD1-CE1 4.3Å; F227-F360 AromaticContact CD1-CE2 3.88Å; F227-F360 HydrophobicContact CD1-CE2 3.88Å; F227-F360 AromaticContact CD1-CG 3.8Å; F227-F360 HydrophobicContact CD1-CG 3.8Å; F227-F360 HydrophobicContact CD1-CZ 4.19Å; F227-F360 HydrophobicContact CE1-CD2 4.48Å; F227-F360 HydrophobicContact CE1-CG 4.36Å; F227-F360 HydrophobicContact CG-CD2 4.36Å; F227-F360 HydrophobicContact CG-CE2 4.21Å
228S96.4Very high91.2Very high0 Ų027.7 Ų27.70%016%0.161CC..Hα-helixtrans-65.9-36.8-175.7-61.80000112.9T224 L225 L232T224-S228 WeakPolarHBondContact O-CB 3.21Å; T224-S228 PolarHBondContact O-N 3.37Å; T224-S228 PolarHBondContact O-OG 3.34Å; L225-S228 PolarHBondContact O-N 3.14Å; S228-L232 VanDerWaalsContact O-CG 3.28Å; S228-L232 WeakPolarHBondContact O-CG 3.37Å; S228-L232 PolarHBondContact O-N 3.14Å
229L95.2Very high91.6Very high0 Ų027.6 Ų27.60%016%0.162CC..Hα-helixtrans-66.5-53.2178.3-68.5173.6000113.5F171 L174 V184 L188 I204 L225 F227 L231 L232 A233 L265F171-L229 HydrophobicContact CD1-CD1 4.28Å; F171-L229 HydrophobicContact CE1-CD1 3.88Å; L174-L229 HydrophobicContact CD1-CD1 4.44Å; V184-L229 HydrophobicContact CG1-CD2 3.75Å; L188-L229 HydrophobicContact CD1-CD1 3.92Å; L188-L229 HydrophobicContact CD1-CD2 3.86Å; L188-L229 HydrophobicContact CD2-CD1 4.21Å; L188-L229 HydrophobicContact CD2-CD2 4.15Å; L188-L229 HydrophobicContact CG-CD2 4.2Å; I204-L229 HydrophobicContact CD1-CB 4.32Å; I204-L229 HydrophobicContact CD1-CD1 3.86Å; L225-L229 WeakPolarHBondContact O-CG 3.23Å; L225-L229 PolarHBondContact O-N 2.84Å; F227-L229 PolarHBondContact O-N 3.34Å; L229-L231 VanDerWaalsContact C-N 3.3Å; L229-L231 PolarHBondContact O-N 3.25Å; L229-L232 PolarHBondContact O-N 3.02Å; L229-A233 PolarHBondContact O-N 2.68Å; L229-L265 HydrophobicContact CD2-CD2 4.26Å
230P95.4Very high92.2Very high1 Ų131.6 Ų31.61%0.00618%0.183CC..Hα-helixtrans-67-28.7176.926-34.8000112.9I204 M207 M208 A226 F227 H234I204-P230 HydrophobicContact CG2-CB 4.43Å; I204-P230 HydrophobicContact CG2-CG 4.46Å; M207-P230 HydrophobicContact CB-CB 3.51Å; M207-P230 HydrophobicContact CB-CG 3.6Å; M207-P230 HydrophobicContact CE-CG 3.94Å; M207-P230 HydrophobicContact CG-CG 4.22Å; M207-P230 HydrophobicContact SD-CG 3.74Å; M208-P230 HydrophobicContact CE-CB 4.2Å; M208-P230 HydrophobicContact CG-CB 4.29Å; M208-P230 HydrophobicContact SD-CB 3.83Å; A226-P230 WeakPolarHBondContact O-CD 3.15Å; A226-P230 VanDerWaalsContact O-CG 3.32Å; A226-P230 WeakPolarHBondContact O-CG 3.36Å; F227-P230 WeakPolarHBondContact O-CD 3.36Å; F227-P230 WeakPolarHBondContact O-CG 3.41Å; P230-H234 WeakPolarHBondContact O-CB 3.46Å; P230-H234 PolarHBondContact O-N 3.08Å
231L95.3Very high92.9Very high0 Ų033.9 Ų33.90%018%0.184CC..Hα-helixtrans-58.9-52.3168.8-77.8178.5000111.6M207 F227 L229 A233 H234 L235 A245 V247 W322 V324M207-L231 HydrophobicContact CE-CG 4.38Å; F227-L231 HydrophobicContact CD2-CD1 4.21Å; F227-L231 WeakPolarHBondContact O-CB 3.47Å; F227-L231 WeakPolarHBondContact O-CG 3.17Å; F227-L231 PolarHBondContact O-N 3.47Å; F227-L231 VanDerWaalsContact O-N 3.09Å; L229-L231 VanDerWaalsContact C-N 3.3Å; L229-L231 PolarHBondContact O-N 3.25Å; L231-A233 VanDerWaalsContact C-N 3.34Å; L231-A233 PolarHBondContact O-N 3.02Å; L231-H234 PolarHBondContact O-N 3.49Å; L231-L235 WeakPolarHBondContact O-CB 3.24Å; L231-L235 VanDerWaalsContact O-CG 3.29Å; L231-L235 WeakPolarHBondContact O-CG 3.38Å; L231-L235 PolarHBondContact O-N 2.93Å; L231-A245 HydrophobicContact CD2-CB 3.8Å; L231-V247 HydrophobicContact CD1-CG2 3.93Å; L231-W322 HydrophobicContact CD2-CB 3.31Å; L231-W322 HydrophobicContact CD2-CD2 4.34Å; L231-W322 HydrophobicContact CD2-CG 3.65Å; L231-V324 HydrophobicContact CD1-CG2 4Å; L231-V324 HydrophobicContact CD2-CG2 4.26Å; L231-V324 HydrophobicContact CG-CG2 4.37Å
232L94.3Very high93.3Very high4 Ų432.9 Ų32.92%0.02118%0.178CC..Hα-helixtrans-65-38-178.9-69.2170.8000112V184 S228 L229 Q236 L265 F271 I296V184-L232 HydrophobicContact CG1-CD1 4.29Å; S228-L232 VanDerWaalsContact O-CG 3.28Å; S228-L232 WeakPolarHBondContact O-CG 3.37Å; S228-L232 PolarHBondContact O-N 3.14Å; L229-L232 PolarHBondContact O-N 3.02Å; L232-Q236 PolarHBondContact O-N 2.9Å; L232-L265 HydrophobicContact CD1-CB 3.65Å; L232-F271 HydrophobicContact CD2-CD2 3.55Å; L232-F271 HydrophobicContact CD2-CE2 3.71Å; L232-F271 HydrophobicContact CD2-CG 4Å; L232-F271 HydrophobicContact CD2-CZ 4.3Å; L232-I296 HydrophobicContact CD2-CD1 3.86Å
233A92.9Very high93.6Very high8 Ų832 Ų327%0.06617%0.168CC..Hα-helixtrans-67.4-44175.800000112.9L180 M208 L229 L231 L235 Q236L180-A233 HydrophobicContact CD1-CB 3.97Å; M208-A233 HydrophobicContact CE-CB 3.57Å; M208-A233 HydrophobicContact SD-CB 3.72Å; L229-A233 PolarHBondContact O-N 2.68Å; L231-A233 VanDerWaalsContact C-N 3.34Å; L231-A233 PolarHBondContact O-N 3.02Å; A233-L235 VanDerWaalsContact C-N 3.35Å; A233-L235 PolarHBondContact O-N 3.29Å; A233-Q236 WeakPolarHBondContact O-CG 3.05Å; A233-Q236 PolarHBondContact O-N 3.05Å
234H92.5Very high93.7Very high75 Ų7532 Ų3235%0.34717%0.167SC..Hα-helixtrans-63.3-41178-170.391.7000111.8P230 L231 Q236 E321 W322P230-H234 WeakPolarHBondContact O-CB 3.46Å; P230-H234 PolarHBondContact O-N 3.08Å; L231-H234 PolarHBondContact O-N 3.49Å; H234-Q236 VanDerWaalsContact C-N 3.34Å; H234-E321 IonicContact CD2-OE2 2.79Å; H234-W322 AromaticContact CD2-CD1 3.53Å; H234-W322 AromaticContact CD2-NE1 3.51Å; H234-W322 AromaticContact CE1-NE1 3.67Å; H234-W322 AromaticContact CG-CD1 3.8Å; H234-W322 AromaticContact CG-NE1 3.4Å; H234-W322 AromaticContact ND1-NE1 3.51Å; H234-W322 AromaticContact NE2-CD1 3.89Å; H234-W322 AromaticContact NE2-NE1 3.67Å
235L92.8Very high93.9Very high4 Ų430.6 Ų30.62%0.02116%0.159CC..Hα-helixtrans-76.5-19.4178.7-62.3-174.2000114L231 A233 Q237 R244 A245 F271 I296 E321L231-L235 WeakPolarHBondContact O-CB 3.24Å; L231-L235 VanDerWaalsContact O-CG 3.29Å; L231-L235 WeakPolarHBondContact O-CG 3.38Å; L231-L235 PolarHBondContact O-N 2.93Å; A233-L235 VanDerWaalsContact C-N 3.35Å; A233-L235 PolarHBondContact O-N 3.29Å; L235-Q237 PolarHBondContact O-N 3.12Å; L235-Q237 VanDerWaalsContact O-O 3.07Å; L235-R244 HydrophobicContact CD1-CB 4.38Å; L235-R244 HydrophobicContact CD2-CB 3.4Å; L235-R244 HydrophobicContact CD2-CG 4.37Å; L235-R244 PolarHBondContact O-NH1 2.99Å; L235-A245 HydrophobicContact CD1-CB 3.96Å; L235-F271 HydrophobicContact CB-CE1 3.63Å; L235-F271 HydrophobicContact CB-CZ 3.82Å; L235-F271 HydrophobicContact CD1-CE1 4.23Å; L235-I296 HydrophobicContact CD1-CD1 4Å; L235-I296 HydrophobicContact CD1-CG1 3.67Å; L235-E321 VanDerWaalsContact CD2-OE2 3.24Å; L235-E321 WeakPolarHBondContact CD2-OE2 3.36Å
236Q90.9Very high94Very high123 Ų12330 Ų3058%0.57516%0.156SC*.  trans57.8-58.6179.6-61.4-178.9-0.400116.7L232 A233 H234L232-Q236 PolarHBondContact O-N 2.9Å; A233-Q236 WeakPolarHBondContact O-CG 3.05Å; A233-Q236 PolarHBondContact O-N 3.05Å; H234-Q236 VanDerWaalsContact C-N 3.34Å
237Q90.9Very high94.1Very high133 Ų13330 Ų3062%0.62116%0.156SC*.SBendtrans-147.4165.5-175.165.8179.30.100111.1L235 R244L235-Q237 PolarHBondContact O-N 3.12Å; L235-Q237 VanDerWaalsContact O-O 3.07Å; Q237-R244 PolarHBondContact O-NH2 2.91Å
238P91.9Very high94Very high46 Ų4630 Ų3030%0.29916%0.156SC..  trans-65.2139.6177.1-19.133.1000112.4V269 G270 D295P238-V269 WeakPolarHBondContact CG-O 3.42Å; P238-G270 VanDerWaalsContact CG-C 3.4Å; P238-G270 VanDerWaalsContact CG-O 3.26Å; P238-G270 WeakPolarHBondContact CG-O 3.4Å; P238-D295 WeakPolarHBondContact CA-OD1 3.38Å
239A91.5Very high93.8Very high25 Ų2530 Ų3021%0.20716%0.156CC..  trans-138.3143.5-179.700000112.1L241 R272 D295A239-L241 HydrophobicContact CB-CD1 4.21Å; A239-L241 HydrophobicContact CB-CG 4.16Å; A239-L241 PolarHBondContact O-N 3.25Å; A239-R272 VanDerWaalsContact C-NH2 3.29Å; A239-R272 PolarHBondContact O-NH2 3.13Å; A239-D295 PolarHBondContact N-OD1 3.02Å
240N91.6Very high93.4Very high97 Ų9731.7 Ų31.752%0.51917%0.167SC..THydrogen-bonded Turntrans-8236.8-178.3-61.9-32.3000113R272 K292N240-R272 PolarHBondContact OD1-NH1 3.42Å; N240-K292 CarbonylContact C-O 3.42Å; N240-K292 WeakPolarHBondContact CA-O 3.34Å; N240-K292 VanDerWaalsContact O-CB 3.22Å; N240-K292 WeakPolarHBondContact O-CB 3.41Å
241L91Very high92.9Very high94 Ų9432.7 Ų32.749%0.49217%0.173SC..THydrogen-bonded Turntrans-92.8-17.3-178.2-61.7176.6000112.4A239 S319A239-L241 HydrophobicContact CB-CD1 4.21Å; A239-L241 HydrophobicContact CB-CG 4.16Å; A239-L241 PolarHBondContact O-N 3.25Å; L241-S319 PolarHBondContact O-OG 3.45Å
242G91.7Very high92.4Very high4 Ų438.8 Ų38.84%0.04120%0.196CC..  trans95.8-162.9-171.700000111.4R244 K292 Y294G242-R244 PolarHBondContact O-N 3.09Å; G242-K292 PolarHBondContact N-O 3.27Å; G242-Y294 CarbonylContact C-O 3.51Å; G242-Y294 VanDerWaalsContact CA-CE2 3.42Å; G242-Y294 WeakPolarHBondContact CA-O 3.44Å
243F95.2Very high91.9Very high2 Ų240.1 Ų40.11%0.00920%0.202CC..  trans-64.3112.4-175.2-65-58.2000111.1H274 Y286 Y294 D295 L297 I315 L317 S319 V320F243-H274 HydrophobicContact CE1-CB 4.31Å; F243-Y286 HydrophobicContact CE2-CD1 4.14Å; F243-Y286 HydrophobicContact CE2-CG 4.02Å; F243-Y286 AromaticContact CZ-CD1 3.79Å; F243-Y286 HydrophobicContact CZ-CD1 3.79Å; F243-Y286 HydrophobicContact CZ-CD2 4.45Å; F243-Y286 HydrophobicContact CZ-CE1 4.06Å; F243-Y286 HydrophobicContact CZ-CG 4.01Å; F243-Y294 HydrophobicContact CB-CD2 4.41Å; F243-Y294 AromaticContact CD1-CD2 3.57Å; F243-Y294 HydrophobicContact CD1-CD2 3.57Å; F243-Y294 HydrophobicContact CD1-CE2 4.37Å; F243-Y294 HydrophobicContact CD1-CG 4.37Å; F243-Y294 AromaticContact CD2-CD2 3.52Å; F243-Y294 HydrophobicContact CD2-CD2 3.52Å; F243-Y294 AromaticContact CD2-CE2 3.48Å; F243-Y294 HydrophobicContact CD2-CE2 3.48Å; F243-Y294 VanDerWaalsContact CD2-CE2 3.48Å; F243-Y294 AromaticContact CE1-CD2 3.54Å; F243-Y294 HydrophobicContact CE1-CD2 3.54Å; F243-Y294 HydrophobicContact CE1-CE2 4.44Å; F243-Y294 AromaticContact CE1-CG 3.99Å; F243-Y294 HydrophobicContact CE1-CG 3.99Å; F243-Y294 AromaticContact CE2-CD2 3.48Å; F243-Y294 HydrophobicContact CE2-CD2 3.48Å; F243-Y294 VanDerWaalsContact CE2-CD2 3.48Å; F243-Y294 AromaticContact CE2-CE2 3.55Å; F243-Y294 HydrophobicContact CE2-CE2 3.55Å; F243-Y294 HydrophobicContact CE2-CG 4.3Å; F243-Y294 AromaticContact CG-CD2 3.56Å; F243-Y294 HydrophobicContact CG-CD2 3.56Å; F243-Y294 AromaticContact CG-CE2 3.91Å; F243-Y294 HydrophobicContact CG-CE2 3.91Å; F243-Y294 AromaticContact CZ-CD2 3.49Å; F243-Y294 HydrophobicContact CZ-CD2 3.49Å; F243-Y294 VanDerWaalsContact CZ-CD2 3.49Å; F243-Y294 HydrophobicContact CZ-CE2 4.05Å; F243-Y294 AromaticContact CZ-CG 3.94Å; F243-Y294 HydrophobicContact CZ-CG 3.94Å; F243-D295 WeakPolarHBondContact CA-O 3.3Å; F243-L297 HydrophobicContact CD1-CB 3.59Å; F243-L297 HydrophobicContact CD2-CB 4.41Å; F243-L297 HydrophobicContact CD2-CD2 4.09Å; F243-L297 HydrophobicContact CE1-CB 3.74Å; F243-L297 HydrophobicContact CE1-CD1 4.05Å; F243-L297 HydrophobicContact CE1-CG 4.36Å; F243-L297 HydrophobicContact CE2-CD1 4.39Å; F243-L297 HydrophobicContact CE2-CD2 4.06Å; F243-L297 HydrophobicContact CG-CB 3.95Å; F243-L297 HydrophobicContact CG-CD2 4.4Å; F243-L297 HydrophobicContact CZ-CB 4.24Å; F243-L297 HydrophobicContact CZ-CD1 3.88Å; F243-L297 HydrophobicContact CZ-CD2 4.34Å; F243-L297 HydrophobicContact CZ-CG 4.4Å; F243-I315 HydrophobicContact CD2-CD1 4.26Å; F243-I315 HydrophobicContact CD2-CG1 4.19Å; F243-I315 HydrophobicContact CE2-CD1 3.79Å; F243-I315 HydrophobicContact CE2-CG1 3.93Å; F243-L317 HydrophobicContact CD2-CD2 4.43Å; F243-S319 CarbonylContact O-C 3.53Å; F243-S319 VanDerWaalsContact O-C 3.26Å; F243-V320 HydrophobicContact CB-CG2 4.35Å; F243-V320 WeakPolarHBondContact O-CA 3.45Å; F243-V320 VanDerWaalsContact O-CG2 3.29Å; F243-V320 WeakPolarHBondContact O-CG2 3.32Å; F243-V320 PolarHBondContact O-N 2.85Å
244R96.1Very high91.6Very high14 Ų1440.1 Ų40.15%0.05320%0.201CC..  trans-99.1-22173.6-68.4179.8-71150-1.2112.5L235 Q237 G242 D295 S319 V320 E321 W322L235-R244 HydrophobicContact CD1-CB 4.38Å; L235-R244 HydrophobicContact CD2-CB 3.4Å; L235-R244 HydrophobicContact CD2-CG 4.37Å; L235-R244 PolarHBondContact O-NH1 2.99Å; Q237-R244 PolarHBondContact O-NH2 2.91Å; G242-R244 PolarHBondContact O-N 3.09Å; R244-D295 IonicContact CZ-OD1 3.54Å; R244-D295 PolarHBondContact N-O 3.38Å; R244-D295 IonicContact NE-OD1 2.82Å; R244-D295 IonicContact NH2-OD1 2.67Å; R244-D295 PolarHBondContact NH2-OD1 3.33Å; R244-S319 WeakPolarHBondContact CA-O 3.46Å; R244-V320 CarbonylContact O-C 3.6Å; R244-E321 PolarHBondContact O-N 3.46Å; R244-W322 PolarHBondContact O-N 3.31Å; R244-W322 VanDerWaalsContact O-N 3.1Å
245A97.3Very high91.5Very high0 Ų036.6 Ų36.60%019%0.185CC..EExtended strand (participates in β ladder)trans-127.5141.2169.200000112L231 L235 D295 I296 L297 W322L231-A245 HydrophobicContact CD2-CB 3.8Å; L235-A245 HydrophobicContact CD1-CB 3.96Å; A245-D295 PolarHBondContact N-O 3.35Å; A245-I296 HydrophobicContact CB-CG1 4.25Å; A245-I296 HydrophobicContact CB-CG2 4.15Å; A245-I296 WeakPolarHBondContact O-CA 3.29Å; A245-L297 PolarHBondContact O-N 3.03Å; A245-W322 WeakPolarHBondContact CA-O 3.28Å; A245-W322 HydrophobicContact CB-CB 4.43Å
246L97.6Very high91.3Very high0 Ų038.3 Ų38.30%020%0.197CC..EExtended strand (participates in β ladder)trans-127.2123175167.256.8000109.5I248 L297 L304 L317 V320 W322 L323 V324 I346L246-I248 HydrophobicContact CD1-CG1 4.19Å; L246-I248 HydrophobicContact CD2-CG1 4.5Å; L246-I248 HydrophobicContact CG-CG1 4.16Å; L246-L297 CarbonylContact C-O 3.54Å; L246-L297 WeakPolarHBondContact CA-O 3.48Å; L246-L297 HydrophobicContact CD1-CB 4.14Å; L246-L297 HydrophobicContact CD1-CD2 4.03Å; L246-L297 HydrophobicContact CD1-CG 4.03Å; L246-L304 HydrophobicContact CD1-CD2 4Å; L246-L304 HydrophobicContact CD2-CD2 3.53Å; L246-L304 HydrophobicContact CG-CD2 4.41Å; L246-L317 HydrophobicContact CD2-CD1 4.01Å; L246-L317 HydrophobicContact CD2-CD2 4.41Å; L246-V320 HydrophobicContact CB-CG1 4.2Å; L246-V320 HydrophobicContact CB-CG2 4.35Å; L246-W322 PolarHBondContact N-O 2.81Å; L246-L323 HydrophobicContact CB-CD1 4.18Å; L246-L323 HydrophobicContact CD2-CD1 3.77Å; L246-L323 HydrophobicContact CG-CD1 3.72Å; L246-L323 WeakPolarHBondContact O-CA 3.28Å; L246-V324 PolarHBondContact O-N 3.27Å; L246-I346 HydrophobicContact CD2-CG2 3.88Å
247V97.6Very high91.2Very high0 Ų034.5 Ų34.50%018%0.179CC..EExtended strand (participates in β ladder)trans-110.3125.7170.3-169.50000109.8F227 L231 T258 L262 L297 V298 S299 V324F227-V247 HydrophobicContact CE2-CG1 3.96Å; F227-V247 HydrophobicContact CE2-CG2 4.37Å; F227-V247 HydrophobicContact CZ-CG1 4.14Å; L231-V247 HydrophobicContact CD1-CG2 3.93Å; V247-T258 HydrophobicContact CG1-CG2 4.03Å; V247-L262 HydrophobicContact CG2-CD1 4.43Å; V247-L297 PolarHBondContact N-O 2.9Å; V247-V298 HydrophobicContact CB-CG1 4.29Å; V247-V298 HydrophobicContact CB-CG2 4.48Å; V247-V298 WeakPolarHBondContact O-CA 3.33Å; V247-S299 PolarHBondContact O-N 3.27Å; V247-V324 WeakPolarHBondContact CA-O 3.3Å; V247-V324 HydrophobicContact CB-CB 4.45Å; V247-V324 HydrophobicContact CG1-CB 4.14Å; V247-V324 HydrophobicContact CG1-CG1 4.18Å; V247-V324 HydrophobicContact CG2-CB 4.19Å
248I95.5Very high91.3Very high1 Ų128.1 Ų28.11%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-104.7131.1177.6-59.1178000109.1L246 S299 P301 L323 V324 D326 L331 F339 L343 I346L246-I248 HydrophobicContact CD1-CG1 4.19Å; L246-I248 HydrophobicContact CD2-CG1 4.5Å; L246-I248 HydrophobicContact CG-CG1 4.16Å; I248-S299 WeakPolarHBondContact CA-O 3.47Å; I248-P301 HydrophobicContact CG2-CG 3.74Å; I248-L323 HydrophobicContact CD1-CD1 3.77Å; I248-L323 HydrophobicContact CG1-CD1 4.12Å; I248-V324 PolarHBondContact N-O 3.2Å; I248-D326 PolarHBondContact O-N 2.98Å; I248-L331 HydrophobicContact CG2-CD1 4.25Å; I248-F339 HydrophobicContact CG2-CE2 4.25Å; I248-F339 HydrophobicContact CG2-CZ 4.38Å; I248-L343 HydrophobicContact CD1-CD1 4.42Å; I248-I346 HydrophobicContact CD1-CD1 3.98Å; I248-I346 HydrophobicContact CD1-CG2 4.06Å
249S92.3Very high91.5Very high0 Ų028.8 Ų28.80%015%0.147CC..  trans-127.1148172.9-54.30000111.5T251 S299 T300 P301S249-T251 PolarHBondContact O-N 3.07Å; S249-S299 PolarHBondContact N-O 3.09Å; S249-T300 WeakPolarHBondContact O-CA 3.4Å; S249-T300 WeakPolarHBondContact O-CG2 3.33Å; S249-P301 WeakPolarHBondContact O-CD 3.39Å
250P87.6Confident91.6Very high35 Ų3533.8 Ų33.823%0.22716%0.16CC..SBendtrans-61.3-35.3177.721.5-35.2000114.8L254 D326 E327 K330 L331P250-L254 HydrophobicContact CG-CD2 4.12Å; P250-D326 VanDerWaalsContact CD-O 3.22Å; P250-D326 WeakPolarHBondContact CD-O 3.41Å; P250-E327 HydrophobicContact CG-CB 3.68Å; P250-K330 HydrophobicContact CB-CB 4.01Å; P250-K330 HydrophobicContact CG-CB 3.97Å; P250-K330 HydrophobicContact CG-CG 4.36Å; P250-L331 HydrophobicContact CB-CD2 3.86Å; P250-L331 HydrophobicContact CB-CG 3.98Å; P250-L331 HydrophobicContact CG-CG 4.41Å
251T85Confident91.6Very high21 Ų2131.1 Ų31.113%0.12915%0.145CC..SBendtrans-120154.4-175.963.80000111.5S249 E253 L254 A255 R482S249-T251 PolarHBondContact O-N 3.07Å; T251-E253 PolarHBondContact O-N 3.31Å; T251-L254 PolarHBondContact O-N 3.19Å; T251-L254 VanDerWaalsContact OG1-CB 3.31Å; T251-L254 WeakPolarHBondContact OG1-CB 3.16Å; T251-L254 PolarHBondContact OG1-N 3.28Å; T251-L254 VanDerWaalsContact OG1-N 3.14Å; T251-A255 PolarHBondContact O-N 3.02Å; T251-R482 HydrophobicContact CG2-CB 4.02Å; T251-R482 PolarHBondContact OG1-O 2.82Å
252R84.4Confident91.8Very high129 Ų12926.7 Ų26.749%0.48712%0.121SC..Hα-helixtrans-67.8-34.5174.8-66.7-171.8-171.81687.4110.4L254 A255 S256 T300R252-L254 VanDerWaalsContact C-N 3.34Å; R252-L254 PolarHBondContact O-N 3.01Å; R252-A255 PolarHBondContact O-N 3.45Å; R252-S256 WeakPolarHBondContact O-CB 3.31Å; R252-S256 PolarHBondContact O-N 3.42Å; R252-S256 PolarHBondContact O-OG 2.95Å; R252-S256 VanDerWaalsContact O-OG 3.07Å; R252-T300 HydrophobicContact CG-CG2 4.07Å
253E83.3Confident92Very high31 Ų3129.5 Ų29.515%0.14514%0.135CC..Hα-helixtrans-58.9-44.1177.1-64.981.9170.800110.9T251 S256 Q257 R459 G483 I484T251-E253 PolarHBondContact O-N 3.31Å; E253-S256 PolarHBondContact O-N 3.42Å; E253-Q257 PolarHBondContact O-N 3.3Å; E253-Q257 VanDerWaalsContact O-N 3.09Å; E253-R459 IonicContact OE1-NH1 2.61Å; E253-R459 PolarHBondContact OE1-NH1 3.21Å; E253-G483 CarbonylContact C-O 3.53Å; E253-I484 HydrophobicContact CB-CG1 4.11Å; E253-I484 HydrophobicContact CG-CG1 4Å
254L86.3Confident91.9Very high8 Ų835 Ų354%0.04216%0.156CC..Hα-helixtrans-71.6-42.8174.4-175.354.3000112.1P250 T251 R252 S256 Q257 T258 E327P250-L254 HydrophobicContact CG-CD2 4.12Å; T251-L254 PolarHBondContact O-N 3.19Å; T251-L254 VanDerWaalsContact OG1-CB 3.31Å; T251-L254 WeakPolarHBondContact OG1-CB 3.16Å; T251-L254 PolarHBondContact OG1-N 3.28Å; T251-L254 VanDerWaalsContact OG1-N 3.14Å; R252-L254 VanDerWaalsContact C-N 3.34Å; R252-L254 PolarHBondContact O-N 3.01Å; L254-S256 PolarHBondContact O-N 3.17Å; L254-Q257 HydrophobicContact CD1-CB 4.47Å; L254-Q257 WeakPolarHBondContact O-CA 3.32Å; L254-Q257 WeakPolarHBondContact O-CB 3.41Å; L254-Q257 PolarHBondContact O-N 3.22Å; L254-T258 PolarHBondContact O-N 3.42Å; L254-E327 HydrophobicContact CD2-CB 3.9Å; L254-E327 HydrophobicContact CD2-CG 3.72Å
255A90.8Very high91.8Very high1 Ų134.4 Ų34.41%0.00815%0.154CC..Hα-helixtrans-55.4-42.7173.700000111.3T251 R252 Q257 T258 Y259 I275 V298 T300T251-A255 PolarHBondContact O-N 3.02Å; R252-A255 PolarHBondContact O-N 3.45Å; A255-Q257 VanDerWaalsContact C-N 3.31Å; A255-Q257 PolarHBondContact O-N 3.35Å; A255-T258 PolarHBondContact O-N 3.24Å; A255-Y259 WeakPolarHBondContact O-CB 3.21Å; A255-Y259 PolarHBondContact O-N 3.44Å; A255-I275 HydrophobicContact CB-CD1 3.85Å; A255-V298 HydrophobicContact CB-CG1 3.86Å; A255-V298 WeakPolarHBondContact O-CG1 3.2Å; A255-T300 HydrophobicContact CB-CG2 4.33Å
256S89.8Confident91.7Very high41 Ų4134.6 Ų34.629%0.28716%0.155SC..Hα-helixtrans-70.5-19.9174.8-66.40000114R252 E253 L254 R260 I275R252-S256 WeakPolarHBondContact O-CB 3.31Å; R252-S256 PolarHBondContact O-N 3.42Å; R252-S256 PolarHBondContact O-OG 2.95Å; R252-S256 VanDerWaalsContact O-OG 3.07Å; E253-S256 PolarHBondContact O-N 3.42Å; L254-S256 PolarHBondContact O-N 3.17Å; S256-R260 WeakPolarHBondContact O-CG 3.15Å; S256-R260 PolarHBondContact O-NE 2.8Å; S256-I275 WeakPolarHBondContact OG-CD1 3.2Å
257Q88.5Confident91.6Very high42 Ų4238.7 Ų38.720%0.19618%0.177CC..Hα-helixtrans-75.8-53.7168.5179.2168.3200110.4E253 L254 A255 Y259 R260 E261E253-Q257 PolarHBondContact O-N 3.3Å; E253-Q257 VanDerWaalsContact O-N 3.09Å; L254-Q257 HydrophobicContact CD1-CB 4.47Å; L254-Q257 WeakPolarHBondContact O-CA 3.32Å; L254-Q257 WeakPolarHBondContact O-CB 3.41Å; L254-Q257 PolarHBondContact O-N 3.22Å; A255-Q257 VanDerWaalsContact C-N 3.31Å; A255-Q257 PolarHBondContact O-N 3.35Å; Q257-Y259 VanDerWaalsContact C-N 3.31Å; Q257-Y259 PolarHBondContact O-N 3.07Å; Q257-R260 PolarHBondContact O-N 2.82Å; Q257-R260 VanDerWaalsContact O-N 3.12Å; Q257-E261 PolarHBondContact O-N 2.7Å
258T93.3Very high91.3Very high0 Ų041.8 Ų41.80%021%0.208CC..Hα-helixtrans-61.8-37.2179.8-63.50000112.5T224 F227 V247 L254 A255 R260 E261 L262 V298T224-T258 HydrophobicContact CG2-CG2 4.09Å; F227-T258 HydrophobicContact CE2-CG2 3.64Å; F227-T258 HydrophobicContact CZ-CG2 3.84Å; V247-T258 HydrophobicContact CG1-CG2 4.03Å; L254-T258 PolarHBondContact O-N 3.42Å; A255-T258 PolarHBondContact O-N 3.24Å; T258-R260 PolarHBondContact O-N 3.41Å; T258-E261 PolarHBondContact O-N 2.89Å; T258-L262 HydrophobicContact CG2-CD1 4.02Å; T258-L262 WeakPolarHBondContact O-CB 2.94Å; T258-L262 WeakPolarHBondContact O-CG 3.26Å; T258-L262 PolarHBondContact O-N 3.35Å; T258-V298 HydrophobicContact CG2-CG1 4.27Å
259Y94.9Very high91.2Very high60 Ų6042.6 Ų42.624%0.23521%0.214CC..Hα-helixtrans-56.4-47.2171.3172.1-111.4000113A255 Q257 L263 V273 I275A255-Y259 WeakPolarHBondContact O-CB 3.21Å; A255-Y259 PolarHBondContact O-N 3.44Å; Q257-Y259 VanDerWaalsContact C-N 3.31Å; Q257-Y259 PolarHBondContact O-N 3.07Å; Y259-L263 HydrophobicContact CD1-CD1 4.34Å; Y259-L263 HydrophobicContact CE1-CD1 3.73Å; Y259-L263 HydrophobicContact CE2-CD1 4.07Å; Y259-L263 HydrophobicContact CE2-CG 4.23Å; Y259-L263 WeakPolarHBondContact O-CG 3.37Å; Y259-L263 PolarHBondContact O-N 2.71Å; Y259-V273 HydrophobicContact CD2-CB 4.41Å; Y259-V273 HydrophobicContact CD2-CG1 3.79Å; Y259-V273 HydrophobicContact CE2-CB 4.24Å; Y259-V273 HydrophobicContact CE2-CG1 4.11Å; Y259-V273 WeakPolarHBondContact CE2-O 3.44Å; Y259-I275 HydrophobicContact CD1-CG2 4.12Å; Y259-I275 HydrophobicContact CD2-CB 4.15Å; Y259-I275 HydrophobicContact CD2-CG2 4.28Å; Y259-I275 HydrophobicContact CE1-CG2 4.16Å; Y259-I275 HydrophobicContact CE2-CG2 4.33Å; Y259-I275 HydrophobicContact CG-CB 4.18Å; Y259-I275 HydrophobicContact CG-CG2 4.18Å
260R92.9Very high91.1Very high129 Ų12945 Ų4549%0.48724%0.238SC..Hα-helixtrans-70.1-35.3179.7-75178.3-67.11384.8112.5S256 Q257 T258 R264S256-R260 WeakPolarHBondContact O-CG 3.15Å; S256-R260 PolarHBondContact O-NE 2.8Å; Q257-R260 PolarHBondContact O-N 2.82Å; Q257-R260 VanDerWaalsContact O-N 3.12Å; T258-R260 PolarHBondContact O-N 3.41Å; R260-R264 WeakPolarHBondContact O-CB 3.45Å; R260-R264 PolarHBondContact O-N 3.03Å
261E93.2Very high91.4Very high42 Ų4243.8 Ų43.820%0.19623%0.229CC..Hα-helixtrans-68.9-42.8176.3-159.765.2-166.300111.2T224 Q257 T258 L263 R264 L265T224-E261 HydrophobicContact CG2-CB 4.06Å; T224-E261 HydrophobicContact CG2-CG 4.17Å; Q257-E261 PolarHBondContact O-N 2.7Å; T258-E261 PolarHBondContact O-N 2.89Å; E261-L263 PolarHBondContact O-N 3.15Å; E261-R264 PolarHBondContact O-N 2.98Å; E261-R264 IonicContact OE1-NH1 2.6Å; E261-L265 HydrophobicContact CG-CD1 4.18Å; E261-L265 WeakPolarHBondContact O-CB 3.18Å; E261-L265 VanDerWaalsContact O-CG 3.27Å; E261-L265 WeakPolarHBondContact O-CG 3.42Å; E261-L265 PolarHBondContact O-N 3.32Å
262L95.4Very high91.8Very high0 Ų045.5 Ų45.50%023%0.233CC..Hα-helixtrans-59.2-46172.8-79163.9000111.9V247 T258 L265 S266 V273 I296 V298V247-L262 HydrophobicContact CG2-CD1 4.43Å; T258-L262 HydrophobicContact CG2-CD1 4.02Å; T258-L262 WeakPolarHBondContact O-CB 2.94Å; T258-L262 WeakPolarHBondContact O-CG 3.26Å; T258-L262 PolarHBondContact O-N 3.35Å; L262-L265 PolarHBondContact O-N 2.94Å; L262-S266 VanDerWaalsContact O-CB 3.28Å; L262-S266 WeakPolarHBondContact O-CB 3.47Å; L262-S266 PolarHBondContact O-N 2.93Å; L262-S266 PolarHBondContact O-OG 2.94Å; L262-V273 HydrophobicContact CB-CG1 3.94Å; L262-V273 HydrophobicContact CB-CG2 4.26Å; L262-V273 HydrophobicContact CD1-CG1 4.15Å; L262-I296 HydrophobicContact CD1-CG2 4.08Å; L262-V298 HydrophobicContact CD1-CG2 3.69Å
263L94.8Very high92.3Very high64 Ų6439.6 Ų39.634%0.33521%0.211SC..Hα-helixtrans-56.6-52173.8-76.5179.6000111.5Y259 E261 L265 S266 D267 V273Y259-L263 HydrophobicContact CD1-CD1 4.34Å; Y259-L263 HydrophobicContact CE1-CD1 3.73Å; Y259-L263 HydrophobicContact CE2-CD1 4.07Å; Y259-L263 HydrophobicContact CE2-CG 4.23Å; Y259-L263 WeakPolarHBondContact O-CG 3.37Å; Y259-L263 PolarHBondContact O-N 2.71Å; E261-L263 PolarHBondContact O-N 3.15Å; L263-L265 VanDerWaalsContact C-N 3.33Å; L263-L265 PolarHBondContact O-N 2.8Å; L263-S266 CarbonylContact O-C 3.57Å; L263-S266 PolarHBondContact O-N 3.43Å; L263-S266 VanDerWaalsContact O-N 3.13Å; L263-S266 PolarHBondContact O-OG 3.43Å; L263-S266 VanDerWaalsContact O-OG 3.13Å; L263-D267 PolarHBondContact O-N 3.09Å; L263-V273 HydrophobicContact CD2-CB 4Å; L263-V273 HydrophobicContact CD2-CG2 4.13Å; L263-V273 HydrophobicContact CG-CB 4.47Å
264R94.3Very high92.8Very high118 Ų11839.5 Ų39.545%0.44521%0.211SC..Hα-helixtrans-56.4-43.3-179.9-174.2-171.8-172.4-154.33.5112.9R260 E261R260-R264 WeakPolarHBondContact O-CB 3.45Å; R260-R264 PolarHBondContact O-N 3.03Å; E261-R264 PolarHBondContact O-N 2.98Å; E261-R264 IonicContact OE1-NH1 2.6Å
265L93.8Very high93Very high0 Ų040.3 Ų40.30%022%0.215CC..Hα-helixtrans-71.2-32.6179.1-67.9167.6000112.4N187 L188 L225 L229 L232 E261 L262 L263N187-L265 PolarHBondContact ND2-O 3.38Å; L188-L265 HydrophobicContact CD2-CD2 3.57Å; L188-L265 HydrophobicContact CG-CD2 4.2Å; L225-L265 HydrophobicContact CD2-CD1 3.76Å; L225-L265 HydrophobicContact CD2-CD2 3.72Å; L225-L265 HydrophobicContact CD2-CG 4.3Å; L229-L265 HydrophobicContact CD2-CD2 4.26Å; L232-L265 HydrophobicContact CD1-CB 3.65Å; E261-L265 HydrophobicContact CG-CD1 4.18Å; E261-L265 WeakPolarHBondContact O-CB 3.18Å; E261-L265 VanDerWaalsContact O-CG 3.27Å; E261-L265 WeakPolarHBondContact O-CG 3.42Å; E261-L265 PolarHBondContact O-N 3.32Å; L262-L265 PolarHBondContact O-N 2.94Å; L263-L265 VanDerWaalsContact C-N 3.33Å; L263-L265 PolarHBondContact O-N 2.8Å
266S94.8Very high92.7Very high4 Ų440.8 Ų40.83%0.02822%0.217CC..THydrogen-bonded Turntrans-90.95.2-179.5710000115.2L262 L263 G268 V269L262-S266 VanDerWaalsContact O-CB 3.28Å; L262-S266 WeakPolarHBondContact O-CB 3.47Å; L262-S266 PolarHBondContact O-N 2.93Å; L262-S266 PolarHBondContact O-OG 2.94Å; L263-S266 CarbonylContact O-C 3.57Å; L263-S266 PolarHBondContact O-N 3.43Å; L263-S266 VanDerWaalsContact O-N 3.13Å; L263-S266 PolarHBondContact O-OG 3.43Å; L263-S266 VanDerWaalsContact O-OG 3.13Å; S266-G268 PolarHBondContact O-N 2.8Å; S266-V269 VanDerWaalsContact O-CB 3.3Å; S266-V269 WeakPolarHBondContact O-CB 3.3Å; S266-V269 PolarHBondContact O-N 3.37Å
267D94.6Very high91.9Very high87 Ų8744 Ų4447%0.46523%0.232SC..THydrogen-bonded Turntrans-59.5135.3-177.1-17967000112.1R183 N187 L263 V269R183-D267 WeakPolarHBondContact CG-O 3.4Å; R183-D267 IonicContact CZ-OD2 3.75Å; R183-D267 PolarHBondContact NE-O 3.23Å; R183-D267 IonicContact NE-OD2 4Å; R183-D267 IonicContact NH2-OD2 2.73Å; R183-D267 PolarHBondContact NH2-OD2 3.12Å; N187-D267 PolarHBondContact ND2-N 3.12Å; N187-D267 PolarHBondContact ND2-O 3.49Å; L263-D267 PolarHBondContact O-N 3.09Å; D267-V269 PolarHBondContact O-N 2.84Å
268G91.8Very high91Very high64 Ų6448.6 Ų48.666%0.6625%0.251SS*.THydrogen-bonded Turntrans72.2-7.9-171.800000115.8S266S266-G268 PolarHBondContact O-N 2.8Å
269V92.9Very high89.6Confident19 Ų1949 Ų4912%0.11526%0.255CS..THydrogen-bonded Turntrans-91.7-18.9175.4-168.50000112.2R183 V184 P238 S266 D267 F271R183-V269 HydrophobicContact CB-CG2 3.98Å; R183-V269 HydrophobicContact CG-CG2 3.89Å; V184-V269 HydrophobicContact CG2-CG2 3.84Å; P238-V269 WeakPolarHBondContact CG-O 3.42Å; S266-V269 VanDerWaalsContact O-CB 3.3Å; S266-V269 WeakPolarHBondContact O-CB 3.3Å; S266-V269 PolarHBondContact O-N 3.37Å; D267-V269 PolarHBondContact O-N 2.84Å; V269-F271 HydrophobicContact CB-CD2 4.07Å; V269-F271 HydrophobicContact CB-CE2 4.46Å; V269-F271 HydrophobicContact CG1-CD2 3.66Å; V269-F271 HydrophobicContact CG1-CE2 3.63Å
270G90.6Very high88Confident49 Ų4950.4 Ų50.451%0.50527%0.273SS..THydrogen-bonded Turntrans81.412.6173.300000115.8P238 R272P238-G270 VanDerWaalsContact CG-C 3.4Å; P238-G270 VanDerWaalsContact CG-O 3.26Å; P238-G270 WeakPolarHBondContact CG-O 3.4Å; G270-R272 PolarHBondContact O-N 2.88Å
271F94.4Very high86.8Confident11 Ų1149.5 Ų49.55%0.04828%0.277CS..  trans-60.8130.2177.9-84.6-73.8000112.2L232 L235 V269 V273 D295 I296L232-F271 HydrophobicContact CD2-CD2 3.55Å; L232-F271 HydrophobicContact CD2-CE2 3.71Å; L232-F271 HydrophobicContact CD2-CG 4Å; L232-F271 HydrophobicContact CD2-CZ 4.3Å; L235-F271 HydrophobicContact CB-CE1 3.63Å; L235-F271 HydrophobicContact CB-CZ 3.82Å; L235-F271 HydrophobicContact CD1-CE1 4.23Å; V269-F271 HydrophobicContact CB-CD2 4.07Å; V269-F271 HydrophobicContact CB-CE2 4.46Å; V269-F271 HydrophobicContact CG1-CD2 3.66Å; V269-F271 HydrophobicContact CG1-CE2 3.63Å; F271-V273 HydrophobicContact CB-CG2 4.34Å; F271-V273 PolarHBondContact O-N 3.08Å; F271-V273 VanDerWaalsContact O-N 3.09Å; F271-D295 HydrophobicContact CD1-CB 4.01Å; F271-I296 HydrophobicContact CD1-CD1 4.3Å
272R93.8Very high85.6Confident57 Ų5747.7 Ų47.722%0.21527%0.269CS..  trans-91.278.8-178.8-64.8150.7-56.2169.316.6109.6A239 N240 G270 K293 D295 I296A239-R272 VanDerWaalsContact C-NH2 3.29Å; A239-R272 PolarHBondContact O-NH2 3.13Å; N240-R272 PolarHBondContact OD1-NH1 3.42Å; G270-R272 PolarHBondContact O-N 2.88Å; R272-K293 WeakPolarHBondContact CD-O 3.43Å; R272-D295 WeakPolarHBondContact CB-OD2 3.29Å; R272-D295 IonicContact CZ-OD2 2.71Å; R272-D295 VanDerWaalsContact CZ-OD2 3.24Å; R272-D295 PolarHBondContact N-OD2 3.1Å; R272-D295 IonicContact NE-OD2 2.69Å; R272-D295 PolarHBondContact NE-OD2 3.4Å; R272-D295 VanDerWaalsContact NH2-CG 3.26Å; R272-D295 IonicContact NH2-OD1 3.71Å; R272-D295 PolarHBondContact NH2-OD1 2.83Å; R272-D295 VanDerWaalsContact NH2-OD1 3.16Å; R272-D295 IonicContact NH2-OD2 3.19Å; R272-D295 PolarHBondContact NH2-OD2 3.41Å; R272-D295 PolarHBondContact O-N 2.75Å; R272-I296 PolarHBondContact O-N 3Å
273V94.8Very high84.2Confident4 Ų449.4 Ų49.42%0.02428%0.283CS..EExtended strand (participates in β ladder)trans-76.1137.9173-163.50000109.6Y259 L262 L263 F271 I296 V298Y259-V273 HydrophobicContact CD2-CB 4.41Å; Y259-V273 HydrophobicContact CD2-CG1 3.79Å; Y259-V273 HydrophobicContact CE2-CB 4.24Å; Y259-V273 HydrophobicContact CE2-CG1 4.11Å; Y259-V273 WeakPolarHBondContact CE2-O 3.44Å; L262-V273 HydrophobicContact CB-CG1 3.94Å; L262-V273 HydrophobicContact CB-CG2 4.26Å; L262-V273 HydrophobicContact CD1-CG1 4.15Å; L263-V273 HydrophobicContact CD2-CB 4Å; L263-V273 HydrophobicContact CD2-CG2 4.13Å; L263-V273 HydrophobicContact CG-CB 4.47Å; F271-V273 HydrophobicContact CB-CG2 4.34Å; F271-V273 PolarHBondContact O-N 3.08Å; F271-V273 VanDerWaalsContact O-N 3.09Å; V273-I296 CarbonylContact C-O 3.54Å; V273-I296 WeakPolarHBondContact CA-O 3.37Å; V273-I296 HydrophobicContact CB-CB 4.48Å; V273-I296 HydrophobicContact CG1-CB 4.15Å; V273-I296 HydrophobicContact CG1-CG2 4.19Å; V273-I296 HydrophobicContact CG2-CB 4.38Å; V273-I296 HydrophobicContact CG2-CD1 4.2Å; V273-V298 HydrophobicContact CG1-CG2 4.36Å
274H93.1Very high83Confident29 Ų2955.4 Ų55.413%0.13431%0.307CS..EExtended strand (participates in β ladder)trans-137.5152.7-178.8-67.2-26.2000113.8F243 Y286 Y294 I296 V298F243-H274 HydrophobicContact CE1-CB 4.31Å; H274-Y286 AromaticContact CD2-CE1 3.28Å; H274-Y286 WeakPolarHBondContact CD2-CE1 3.4Å; H274-Y286 AromaticContact CD2-CZ 3.71Å; H274-Y286 PolarHBondContact CD2-OH 2.93Å; H274-Y286 AromaticContact NE2-CE1 3.85Å; H274-Y294 VanDerWaalsContact CD2-CB 3.45Å; H274-Y294 WeakPolarHBondContact CD2-CB 3.39Å; H274-I296 PolarHBondContact N-O 2.98Å; H274-V298 PolarHBondContact O-N 2.76Å
275I91.3Very high82Confident26 Ų2654.6 Ų54.613%0.13331%0.306CS..EExtended strand (participates in β ladder)trans-125.5154.4169.2-170.4164.1000109.8A255 S256 Y259 V298A255-I275 HydrophobicContact CB-CD1 3.85Å; S256-I275 WeakPolarHBondContact OG-CD1 3.2Å; Y259-I275 HydrophobicContact CD1-CG2 4.12Å; Y259-I275 HydrophobicContact CD2-CB 4.15Å; Y259-I275 HydrophobicContact CD2-CG2 4.28Å; Y259-I275 HydrophobicContact CE1-CG2 4.16Å; Y259-I275 HydrophobicContact CE2-CG2 4.33Å; Y259-I275 HydrophobicContact CG-CB 4.18Å; Y259-I275 HydrophobicContact CG-CG2 4.18Å; I275-V298 WeakPolarHBondContact CA-O 3.41Å
276I84.4Confident81.4Confident10 Ų1055.1 Ų55.15%0.05131%0.308CS..  trans-105.589.8-174.3-45.8-171.1000111.9A282 L297 R303 L307 I315I276-A282 HydrophobicContact CG2-CB 3.78Å; I276-L297 HydrophobicContact CD1-CD1 3.97Å; I276-L297 HydrophobicContact CD1-CD2 4.31Å; I276-L297 HydrophobicContact CG1-CD1 3.75Å; I276-R303 HydrophobicContact CB-CG 3.9Å; I276-R303 HydrophobicContact CG2-CG 3.79Å; I276-R303 PolarHBondContact O-NH1 3.25Å; I276-L307 HydrophobicContact CD1-CD1 3.6Å; I276-L307 HydrophobicContact CG2-CD1 3.98Å; I276-I315 HydrophobicContact CD1-CD1 3.88Å
277D71.6Confident80.3Confident110 Ų11055.1 Ų55.159%0.58831%0.309SS*.SBendtrans-75.5-48178.8-62.6-49.2000113.9R303D277-R303 PolarHBondContact O-NH1 2.9Å
278K70.8Confident79.1Confident137 Ų13754.9 Ų54.960%0.59631%0.312SS*.  trans-127.7117-178.3-66.5179.1-178.6174.90110.3S280 L281 A282K278-S280 VanDerWaalsContact C-N 3.31Å; K278-S280 PolarHBondContact O-N 3.39Å; K278-L281 HydrophobicContact CB-CB 4.4Å; K278-L281 HydrophobicContact CB-CD1 4.14Å; K278-L281 HydrophobicContact CB-CG 4.14Å; K278-L281 HydrophobicContact CD-CD1 3.99Å; K278-L281 PolarHBondContact O-N 3.01Å; K278-L281 VanDerWaalsContact O-N 3.13Å; K278-A282 PolarHBondContact O-N 3.42Å
279A63.7Low78.1Confident10 Ų1061 Ų618%0.08332%0.324CS..Hα-helixtrans-62.2-36-17700000113.3L281 A282 A283 Y306 L307A279-L281 PolarHBondContact O-N 3.07Å; A279-A282 WeakPolarHBondContact O-CB 3.32Å; A279-A282 PolarHBondContact O-N 2.85Å; A279-A283 PolarHBondContact O-N 2.88Å; A279-Y306 HydrophobicContact CB-CD1 3.54Å; A279-Y306 HydrophobicContact CB-CE1 3.48Å; A279-Y306 VanDerWaalsContact CB-CE1 3.48Å; A279-L307 HydrophobicContact CB-CD2 3.93Å; A279-L307 HydrophobicContact CB-CG 4.5Å
280S61.1Low77.4Confident89 Ų8961.6 Ų61.662%0.62233%0.329SS*.Hα-helixtrans-64.4-22.4176.249.30000114.5K278K278-S280 VanDerWaalsContact C-N 3.31Å; K278-S280 PolarHBondContact O-N 3.39Å
281L67.7Low76.6Confident110 Ų11065.5 Ų65.558%0.57634%0.338SS*.Hα-helixtrans-89.6-25.7171.5-60.4-178.9000111.9K278 A279 K284 K285K278-L281 HydrophobicContact CB-CB 4.4Å; K278-L281 HydrophobicContact CB-CD1 4.14Å; K278-L281 HydrophobicContact CB-CG 4.14Å; K278-L281 HydrophobicContact CD-CD1 3.99Å; K278-L281 PolarHBondContact O-N 3.01Å; K278-L281 VanDerWaalsContact O-N 3.13Å; A279-L281 PolarHBondContact O-N 3.07Å; L281-K284 PolarHBondContact O-N 2.8Å; L281-K285 WeakPolarHBondContact O-CB 3.29Å; L281-K285 PolarHBondContact O-N 3.03Å
282A68.8Low76Confident3 Ų369 Ų693%0.02535%0.353CS..Hα-helixtrans-65.3-46.4-179.200000111.9I276 K278 A279 K284 K285 Y286 L307I276-A282 HydrophobicContact CG2-CB 3.78Å; K278-A282 PolarHBondContact O-N 3.42Å; A279-A282 WeakPolarHBondContact O-CB 3.32Å; A279-A282 PolarHBondContact O-N 2.85Å; A282-K284 VanDerWaalsContact C-N 3.3Å; A282-K284 PolarHBondContact O-N 3.22Å; A282-K285 PolarHBondContact O-N 3.47Å; A282-Y286 HydrophobicContact CB-CD2 4Å; A282-Y286 HydrophobicContact CB-CE2 4.35Å; A282-Y286 PolarHBondContact O-N 3.35Å; A282-L307 HydrophobicContact CB-CD1 3.62Å; A282-L307 HydrophobicContact CB-CD2 4Å; A282-L307 HydrophobicContact CB-CG 4.49Å
283A66Low75.6Confident36 Ų3672.5 Ų72.530%0.29837%0.37SS..Hα-helixtrans-56.7-41.3178.300000112.9A279 K285 G287 G314A279-A283 PolarHBondContact O-N 2.88Å; A283-K285 VanDerWaalsContact C-N 3.33Å; A283-K285 PolarHBondContact O-N 2.87Å; A283-G287 WeakPolarHBondContact O-CA 3.49Å; A283-G287 PolarHBondContact O-N 3.01Å; A283-G287 VanDerWaalsContact O-N 3.09Å; A283-G314 WeakPolarHBondContact CA-O 3.26Å
284K68.4Low75.4Confident190 Ų19072.7 Ų72.783%0.82637%0.37SS*.Hα-helixtrans-71.1-23.4175.7-66.8-164.9175.4-168.10114L281 A282L281-K284 PolarHBondContact O-N 2.8Å; A282-K284 VanDerWaalsContact C-N 3.3Å; A282-K284 PolarHBondContact O-N 3.22Å
285K74.7Confident75.5Confident101 Ų10171.3 Ų71.344%0.43936%0.364SS..Hα-helixtrans-100.8-28-174.3-165.9-179.2170-154.40113.6L281 A282 A283 S290L281-K285 WeakPolarHBondContact O-CB 3.29Å; L281-K285 PolarHBondContact O-N 3.03Å; A282-K285 PolarHBondContact O-N 3.47Å; A283-K285 VanDerWaalsContact C-N 3.33Å; A283-K285 PolarHBondContact O-N 2.87Å; K285-S290 VanDerWaalsContact O-CB 3.3Å; K285-S290 WeakPolarHBondContact O-CB 3.31Å; K285-S290 PolarHBondContact O-OG 3.14Å
286Y79.6Confident75.7Confident11 Ų1170 Ų704%0.04336%0.357CS..Hα-helixtrans-132.61.9-171.4-45.3-55.9000114.4F243 H274 A282 Y294F243-Y286 HydrophobicContact CE2-CD1 4.14Å; F243-Y286 HydrophobicContact CE2-CG 4.02Å; F243-Y286 AromaticContact CZ-CD1 3.79Å; F243-Y286 HydrophobicContact CZ-CD1 3.79Å; F243-Y286 HydrophobicContact CZ-CD2 4.45Å; F243-Y286 HydrophobicContact CZ-CE1 4.06Å; F243-Y286 HydrophobicContact CZ-CG 4.01Å; H274-Y286 AromaticContact CD2-CE1 3.28Å; H274-Y286 WeakPolarHBondContact CD2-CE1 3.4Å; H274-Y286 AromaticContact CD2-CZ 3.71Å; H274-Y286 PolarHBondContact CD2-OH 2.93Å; H274-Y286 AromaticContact NE2-CE1 3.85Å; A282-Y286 HydrophobicContact CB-CD2 4Å; A282-Y286 HydrophobicContact CB-CE2 4.35Å; A282-Y286 PolarHBondContact O-N 3.35Å; Y286-Y294 AromaticContact CD1-CD1 3.85Å; Y286-Y294 HydrophobicContact CD1-CD1 3.85Å; Y286-Y294 HydrophobicContact CD1-CE1 4.04Å; Y286-Y294 HydrophobicContact CD1-CG 4.16Å; Y286-Y294 HydrophobicContact CE1-CD1 4.45Å; Y286-Y294 PolarHBondContact O-OH 3.34Å
287G72.3Confident76.3Confident5 Ų569.6 Ų69.65%0.05236%0.355CS..SBendtrans-71.1179.8173.500000113.2A283 Q289 S290A283-G287 WeakPolarHBondContact O-CA 3.49Å; A283-G287 PolarHBondContact O-N 3.01Å; A283-G287 VanDerWaalsContact O-N 3.09Å; G287-Q289 PolarHBondContact O-N 3.19Å; G287-Q289 VanDerWaalsContact O-N 3.09Å; G287-S290 VanDerWaalsContact O-CB 3.28Å; G287-S290 WeakPolarHBondContact O-CB 3.15Å; G287-S290 PolarHBondContact O-N 3.13Å
288P70.1Confident77.5Confident81 Ų8164.3 Ų64.353%0.52633%0.327SS..THydrogen-bonded Turntrans-57.6-30.2-170.3-27.535.7000115.2S290 P313P288-S290 VanDerWaalsContact C-N 3.27Å; P288-S290 PolarHBondContact O-N 3.04Å; P288-P313 WeakPolarHBondContact CD-O 3.35Å
289Q70.2Confident78.6Confident194 Ų19458 Ų5891%0.90730%0.3SS*.THydrogen-bonded Turntrans-84.79.8179.7-59.1-64.6-8.300113.8G287G287-Q289 PolarHBondContact O-N 3.19Å; G287-Q289 VanDerWaalsContact O-N 3.09Å
290S78.3Confident79.9Confident30 Ų3058.5 Ų58.521%0.2130%0.302CS..SBendtrans-86.1144.7177.6-172.30000112K285 G287 P288 K292K285-S290 VanDerWaalsContact O-CB 3.3Å; K285-S290 WeakPolarHBondContact O-CB 3.31Å; K285-S290 PolarHBondContact O-OG 3.14Å; G287-S290 VanDerWaalsContact O-CB 3.28Å; G287-S290 WeakPolarHBondContact O-CB 3.15Å; G287-S290 PolarHBondContact O-N 3.13Å; P288-S290 VanDerWaalsContact C-N 3.27Å; P288-S290 PolarHBondContact O-N 3.04Å; S290-K292 PolarHBondContact O-N 3.5Å
291N74.5Confident81.3Confident131 Ų13154.7 Ų54.770%0.70128%0.275SS*.  trans-65.815.4178.1-72.1-34000115.1K293N291-K293 HydrophobicContact CB-CG 4.21Å; N291-K293 WeakPolarHBondContact O-CG 3.45Å; N291-K293 PolarHBondContact O-N 3.29Å
292K81.3Confident82.3Confident85 Ų8555 Ų5537%0.3728%0.277SS..  trans51.723.3176.8-65.6-177.9177.5-172.60115.5N240 G242 S290 Y294N240-K292 CarbonylContact C-O 3.42Å; N240-K292 WeakPolarHBondContact CA-O 3.34Å; N240-K292 VanDerWaalsContact O-CB 3.22Å; N240-K292 WeakPolarHBondContact O-CB 3.41Å; G242-K292 PolarHBondContact N-O 3.27Å; S290-K292 PolarHBondContact O-N 3.5Å; K292-Y294 PolarHBondContact O-N 3.09Å
293K85.3Confident83.2Confident130 Ų13057 Ų5757%0.56528%0.284SS*.  trans-79.755.9179.9-62.5-168.9178.6-176.80112.1R272 N291R272-K293 WeakPolarHBondContact CD-O 3.43Å; N291-K293 HydrophobicContact CB-CG 4.21Å; N291-K293 WeakPolarHBondContact O-CG 3.45Å; N291-K293 PolarHBondContact O-N 3.29Å
294Y90.3Very high84.3Confident8 Ų855.3 Ų55.33%0.03127%0.27CS..  trans-153.1146.9-178.844.3-92.2000110G242 F243 H274 Y286 K292G242-Y294 CarbonylContact C-O 3.51Å; G242-Y294 VanDerWaalsContact CA-CE2 3.42Å; G242-Y294 WeakPolarHBondContact CA-O 3.44Å; F243-Y294 HydrophobicContact CB-CD2 4.41Å; F243-Y294 AromaticContact CD1-CD2 3.57Å; F243-Y294 HydrophobicContact CD1-CD2 3.57Å; F243-Y294 HydrophobicContact CD1-CE2 4.37Å; F243-Y294 HydrophobicContact CD1-CG 4.37Å; F243-Y294 AromaticContact CD2-CD2 3.52Å; F243-Y294 HydrophobicContact CD2-CD2 3.52Å; F243-Y294 AromaticContact CD2-CE2 3.48Å; F243-Y294 HydrophobicContact CD2-CE2 3.48Å; F243-Y294 VanDerWaalsContact CD2-CE2 3.48Å; F243-Y294 AromaticContact CE1-CD2 3.54Å; F243-Y294 HydrophobicContact CE1-CD2 3.54Å; F243-Y294 HydrophobicContact CE1-CE2 4.44Å; F243-Y294 AromaticContact CE1-CG 3.99Å; F243-Y294 HydrophobicContact CE1-CG 3.99Å; F243-Y294 AromaticContact CE2-CD2 3.48Å; F243-Y294 HydrophobicContact CE2-CD2 3.48Å; F243-Y294 VanDerWaalsContact CE2-CD2 3.48Å; F243-Y294 AromaticContact CE2-CE2 3.55Å; F243-Y294 HydrophobicContact CE2-CE2 3.55Å; F243-Y294 HydrophobicContact CE2-CG 4.3Å; F243-Y294 AromaticContact CG-CD2 3.56Å; F243-Y294 HydrophobicContact CG-CD2 3.56Å; F243-Y294 AromaticContact CG-CE2 3.91Å; F243-Y294 HydrophobicContact CG-CE2 3.91Å; F243-Y294 AromaticContact CZ-CD2 3.49Å; F243-Y294 HydrophobicContact CZ-CD2 3.49Å; F243-Y294 VanDerWaalsContact CZ-CD2 3.49Å; F243-Y294 HydrophobicContact CZ-CE2 4.05Å; F243-Y294 AromaticContact CZ-CG 3.94Å; F243-Y294 HydrophobicContact CZ-CG 3.94Å; H274-Y294 VanDerWaalsContact CD2-CB 3.45Å; H274-Y294 WeakPolarHBondContact CD2-CB 3.39Å; Y286-Y294 AromaticContact CD1-CD1 3.85Å; Y286-Y294 HydrophobicContact CD1-CD1 3.85Å; Y286-Y294 HydrophobicContact CD1-CE1 4.04Å; Y286-Y294 HydrophobicContact CD1-CG 4.16Å; Y286-Y294 HydrophobicContact CE1-CD1 4.45Å; Y286-Y294 PolarHBondContact O-OH 3.34Å; K292-Y294 PolarHBondContact O-N 3.09Å
295D94.6Very high85.4Confident0 Ų047.3 Ų47.30%024%0.236CC..  trans-122.7-47.7-172.2-64.3-81.1000113.4P238 A239 F243 R244 A245 F271 R272P238-D295 WeakPolarHBondContact CA-OD1 3.38Å; A239-D295 PolarHBondContact N-OD1 3.02Å; F243-D295 WeakPolarHBondContact CA-O 3.3Å; R244-D295 IonicContact CZ-OD1 3.54Å; R244-D295 PolarHBondContact N-O 3.38Å; R244-D295 IonicContact NE-OD1 2.82Å; R244-D295 IonicContact NH2-OD1 2.67Å; R244-D295 PolarHBondContact NH2-OD1 3.33Å; A245-D295 PolarHBondContact N-O 3.35Å; F271-D295 HydrophobicContact CD1-CB 4.01Å; R272-D295 WeakPolarHBondContact CB-OD2 3.29Å; R272-D295 IonicContact CZ-OD2 2.71Å; R272-D295 VanDerWaalsContact CZ-OD2 3.24Å; R272-D295 PolarHBondContact N-OD2 3.1Å; R272-D295 IonicContact NE-OD2 2.69Å; R272-D295 PolarHBondContact NE-OD2 3.4Å; R272-D295 VanDerWaalsContact NH2-CG 3.26Å; R272-D295 IonicContact NH2-OD1 3.71Å; R272-D295 PolarHBondContact NH2-OD1 2.83Å; R272-D295 VanDerWaalsContact NH2-OD1 3.16Å; R272-D295 IonicContact NH2-OD2 3.19Å; R272-D295 PolarHBondContact NH2-OD2 3.41Å; R272-D295 PolarHBondContact O-N 2.75Å
296I96.9Very high86.1Confident0 Ų048.9 Ų48.90%024%0.24CC..EExtended strand (participates in β ladder)trans-127.6132.3-170.9-54.7171.5000109.8L232 L235 A245 L262 F271 R272 V273 H274L232-I296 HydrophobicContact CD2-CD1 3.86Å; L235-I296 HydrophobicContact CD1-CD1 4Å; L235-I296 HydrophobicContact CD1-CG1 3.67Å; A245-I296 HydrophobicContact CB-CG1 4.25Å; A245-I296 HydrophobicContact CB-CG2 4.15Å; A245-I296 WeakPolarHBondContact O-CA 3.29Å; L262-I296 HydrophobicContact CD1-CG2 4.08Å; F271-I296 HydrophobicContact CD1-CD1 4.3Å; R272-I296 PolarHBondContact O-N 3Å; V273-I296 CarbonylContact C-O 3.54Å; V273-I296 WeakPolarHBondContact CA-O 3.37Å; V273-I296 HydrophobicContact CB-CB 4.48Å; V273-I296 HydrophobicContact CG1-CB 4.15Å; V273-I296 HydrophobicContact CG1-CG2 4.19Å; V273-I296 HydrophobicContact CG2-CB 4.38Å; V273-I296 HydrophobicContact CG2-CD1 4.2Å; H274-I296 PolarHBondContact N-O 2.98Å
297L96.5Very high86.6Confident0 Ų048.3 Ų48.30%024%0.238CC..EExtended strand (participates in β ladder)trans-111.5131.1176.8-173.154.8000111.4F243 A245 L246 V247 I276 L304 I315 L317F243-L297 HydrophobicContact CD1-CB 3.59Å; F243-L297 HydrophobicContact CD2-CB 4.41Å; F243-L297 HydrophobicContact CD2-CD2 4.09Å; F243-L297 HydrophobicContact CE1-CB 3.74Å; F243-L297 HydrophobicContact CE1-CD1 4.05Å; F243-L297 HydrophobicContact CE1-CG 4.36Å; F243-L297 HydrophobicContact CE2-CD1 4.39Å; F243-L297 HydrophobicContact CE2-CD2 4.06Å; F243-L297 HydrophobicContact CG-CB 3.95Å; F243-L297 HydrophobicContact CG-CD2 4.4Å; F243-L297 HydrophobicContact CZ-CB 4.24Å; F243-L297 HydrophobicContact CZ-CD1 3.88Å; F243-L297 HydrophobicContact CZ-CD2 4.34Å; F243-L297 HydrophobicContact CZ-CG 4.4Å; A245-L297 PolarHBondContact O-N 3.03Å; L246-L297 CarbonylContact C-O 3.54Å; L246-L297 WeakPolarHBondContact CA-O 3.48Å; L246-L297 HydrophobicContact CD1-CB 4.14Å; L246-L297 HydrophobicContact CD1-CD2 4.03Å; L246-L297 HydrophobicContact CD1-CG 4.03Å; V247-L297 PolarHBondContact N-O 2.9Å; I276-L297 HydrophobicContact CD1-CD1 3.97Å; I276-L297 HydrophobicContact CD1-CD2 4.31Å; I276-L297 HydrophobicContact CG1-CD1 3.75Å; L297-L304 HydrophobicContact CD2-CD1 4Å; L297-I315 HydrophobicContact CD2-CD1 3.48Å; L297-I315 VanDerWaalsContact CD2-CD1 3.48Å; L297-L317 HydrophobicContact CD2-CD2 4.21Å
298V96.6Very high87.5Confident0 Ų049.3 Ų49.30%024%0.242CC..EExtended strand (participates in β ladder)trans-114.1127164.6-163.60000108.6V247 A255 T258 L262 V273 H274 I275V247-V298 HydrophobicContact CB-CG1 4.29Å; V247-V298 HydrophobicContact CB-CG2 4.48Å; V247-V298 WeakPolarHBondContact O-CA 3.33Å; A255-V298 HydrophobicContact CB-CG1 3.86Å; A255-V298 WeakPolarHBondContact O-CG1 3.2Å; T258-V298 HydrophobicContact CG2-CG1 4.27Å; L262-V298 HydrophobicContact CD1-CG2 3.69Å; V273-V298 HydrophobicContact CG1-CG2 4.36Å; H274-V298 PolarHBondContact O-N 2.76Å; I275-V298 WeakPolarHBondContact CA-O 3.41Å
299S93.8Very high88.4Confident4 Ų450.9 Ų50.93%0.02825%0.246CC..EExtended strand (participates in β ladder)trans-150.5172.4-172.9-162.70000112.9V247 I248 S249V247-S299 PolarHBondContact O-N 3.27Å; I248-S299 WeakPolarHBondContact CA-O 3.47Å; S249-S299 PolarHBondContact N-O 3.09Å
300T91.1Very high89.2Confident21 Ų2144 Ų4413%0.12921%0.214CC..  trans-112.4150.5170.572.80000110.5S249 R252 A255 N302 R303 L304S249-T300 WeakPolarHBondContact O-CA 3.4Å; S249-T300 WeakPolarHBondContact O-CG2 3.33Å; R252-T300 HydrophobicContact CG-CG2 4.07Å; A255-T300 HydrophobicContact CB-CG2 4.33Å; T300-N302 PolarHBondContact O-N 3Å; T300-R303 PolarHBondContact O-N 2.85Å; T300-L304 PolarHBondContact O-N 2.77Å
301P90.4Very high89.4Confident9 Ų950.2 Ų50.26%0.05825%0.245CC..Hα-helixtrans-55.4-53.9-168-25.532.2000113.8I248 S249 R303 L304 I305 L331 F339I248-P301 HydrophobicContact CG2-CG 3.74Å; S249-P301 WeakPolarHBondContact O-CD 3.39Å; P301-R303 PolarHBondContact O-N 3.17Å; P301-R303 VanDerWaalsContact O-N 3.13Å; P301-L304 PolarHBondContact O-N 2.81Å; P301-L304 VanDerWaalsContact O-N 3.09Å; P301-I305 WeakPolarHBondContact O-CG1 3.42Å; P301-I305 PolarHBondContact O-N 2.84Å; P301-L331 HydrophobicContact CG-CD2 3.61Å; P301-F339 HydrophobicContact CB-CD2 3.66Å; P301-F339 HydrophobicContact CB-CE2 3.78Å; P301-F339 HydrophobicContact CG-CD2 3.51Å; P301-F339 HydrophobicContact CG-CE2 3.42Å; P301-F339 VanDerWaalsContact CG-CE2 3.42Å; P301-F339 HydrophobicContact CG-CZ 4.5Å
302N88.3Confident89.7Confident116 Ų11648.3 Ų48.362%0.6224%0.24SC*.Hα-helixtrans-56.1-32.7179.3-68-19.5000113.1T300 Y306 Q342T300-N302 PolarHBondContact O-N 3Å; N302-Y306 WeakPolarHBondContact O-CB 3.41Å; N302-Y306 PolarHBondContact O-N 2.9Å; N302-Q342 PolarHBondContact OD1-NE2 3.2Å; N302-Q342 PolarHBondContact OD1-OE1 3.46Å
303R87.3Confident89.9Confident44 Ų4447.2 Ų47.217%0.16624%0.241CC..Hα-helixtrans-79.1-36.3179.6175.453.16181.6-15.2111.8I276 D277 T300 P301I276-R303 HydrophobicContact CB-CG 3.9Å; I276-R303 HydrophobicContact CG2-CG 3.79Å; I276-R303 PolarHBondContact O-NH1 3.25Å; D277-R303 PolarHBondContact O-NH1 2.9Å; T300-R303 PolarHBondContact O-N 2.85Å; P301-R303 PolarHBondContact O-N 3.17Å; P301-R303 VanDerWaalsContact O-N 3.13Å
304L90.9Very high89.9Confident1 Ų141.1 Ų41.11%0.00522%0.216CC..Hα-helixtrans-69.8-47.3176.2-168.160.3000111.3L246 L297 T300 P301 Y306 L307 L308 I315 L317 I346L246-L304 HydrophobicContact CD1-CD2 4Å; L246-L304 HydrophobicContact CD2-CD2 3.53Å; L246-L304 HydrophobicContact CG-CD2 4.41Å; L297-L304 HydrophobicContact CD2-CD1 4Å; T300-L304 PolarHBondContact O-N 2.77Å; P301-L304 PolarHBondContact O-N 2.81Å; P301-L304 VanDerWaalsContact O-N 3.09Å; L304-Y306 VanDerWaalsContact C-N 3.32Å; L304-Y306 PolarHBondContact O-N 2.89Å; L304-L307 PolarHBondContact O-N 2.78Å; L304-L308 HydrophobicContact CG-CD1 4.12Å; L304-L308 WeakPolarHBondContact O-CG 3.31Å; L304-L308 PolarHBondContact O-N 3.31Å; L304-I315 HydrophobicContact CD1-CD1 4.08Å; L304-I315 HydrophobicContact CD1-CG2 4.21Å; L304-L317 HydrophobicContact CD1-CD1 4.26Å; L304-L317 HydrophobicContact CD2-CD1 4.14Å; L304-L317 HydrophobicContact CG-CD1 4.41Å; L304-I346 HydrophobicContact CD2-CD1 3.97Å; L304-I346 HydrophobicContact CD2-CG1 3.92Å; L304-I346 HydrophobicContact CD2-CG2 3.99Å; L304-I346 HydrophobicContact CG-CG1 4.45Å
305I90.8Very high89.9Confident22 Ų2241 Ų4111%0.11322%0.215CC..Hα-helixtrans-57.5-43.5176.4-66.9-67.9000111.9P301 L307 L308 N309 Q342 T345 I346P301-I305 WeakPolarHBondContact O-CG1 3.42Å; P301-I305 PolarHBondContact O-N 2.84Å; I305-L307 PolarHBondContact O-N 3.26Å; I305-L308 PolarHBondContact O-N 2.6Å; I305-N309 WeakPolarHBondContact O-CB 3.47Å; I305-N309 VanDerWaalsContact O-CG 3.29Å; I305-N309 PolarHBondContact O-N 3.26Å; I305-N309 PolarHBondContact O-OD1 2.6Å; I305-Q342 HydrophobicContact CD1-CB 3.93Å; I305-Q342 HydrophobicContact CD1-CG 4.42Å; I305-Q342 WeakPolarHBondContact CD1-O 3.21Å; I305-Q342 HydrophobicContact CG1-CB 3.77Å; I305-Q342 HydrophobicContact CG1-CG 3.96Å; I305-T345 HydrophobicContact CD1-CG2 3.77Å; I305-I346 HydrophobicContact CD1-CD1 4.16Å; I305-I346 HydrophobicContact CD1-CG1 3.87Å; I305-I346 HydrophobicContact CG1-CD1 4.32Å; I305-I346 HydrophobicContact CG1-CG1 4.5Å
306Y89.8Confident89.6Confident134 Ų13443.9 Ų43.953%0.52523%0.231SC..Hα-helixtrans-57.1-31.8176.8175.2-90.4000113.1A279 N302 L304 Q310A279-Y306 HydrophobicContact CB-CD1 3.54Å; A279-Y306 HydrophobicContact CB-CE1 3.48Å; A279-Y306 VanDerWaalsContact CB-CE1 3.48Å; N302-Y306 WeakPolarHBondContact O-CB 3.41Å; N302-Y306 PolarHBondContact O-N 2.9Å; L304-Y306 VanDerWaalsContact C-N 3.32Å; L304-Y306 PolarHBondContact O-N 2.89Å; Y306-Q310 WeakPolarHBondContact O-CG 3.4Å
307L89.4Confident89.5Confident0 Ų044 Ų440%023%0.232CC..Hα-helixtrans-86.1-35178.4-67.5173.2000113.1I276 A279 A282 L304 I305 N309 Q310 G314 I315I276-L307 HydrophobicContact CD1-CD1 3.6Å; I276-L307 HydrophobicContact CG2-CD1 3.98Å; A279-L307 HydrophobicContact CB-CD2 3.93Å; A279-L307 HydrophobicContact CB-CG 4.5Å; A282-L307 HydrophobicContact CB-CD1 3.62Å; A282-L307 HydrophobicContact CB-CD2 4Å; A282-L307 HydrophobicContact CB-CG 4.49Å; L304-L307 PolarHBondContact O-N 2.78Å; I305-L307 PolarHBondContact O-N 3.26Å; L307-N309 VanDerWaalsContact C-N 3.27Å; L307-N309 PolarHBondContact O-N 3.48Å; L307-Q310 PolarHBondContact O-N 3.4Å; L307-G314 PolarHBondContact O-N 3.3Å; L307-I315 HydrophobicContact CB-CB 4.21Å; L307-I315 HydrophobicContact CB-CG2 3.77Å; L307-I315 HydrophobicContact CD1-CD1 4.43Å
308L90.8Very high89.3Confident25 Ų2546.3 Ų46.313%0.13125%0.247CC..Hα-helixtrans-65.7-32.9174.1-69.1172.3000111.8L304 I305 Q310 I315 L317 I346 A349L304-L308 HydrophobicContact CG-CD1 4.12Å; L304-L308 WeakPolarHBondContact O-CG 3.31Å; L304-L308 PolarHBondContact O-N 3.31Å; I305-L308 PolarHBondContact O-N 2.6Å; L308-Q310 VanDerWaalsContact C-N 3.32Å; L308-Q310 PolarHBondContact O-N 3.16Å; L308-I315 HydrophobicContact CD2-CG2 3.74Å; L308-I315 HydrophobicContact CG-CG2 4.1Å; L308-L317 HydrophobicContact CD1-CD1 4.13Å; L308-L317 HydrophobicContact CD2-CD1 3.96Å; L308-L317 HydrophobicContact CD2-CG 4.3Å; L308-I346 HydrophobicContact CD1-CG1 4.07Å; L308-A349 HydrophobicContact CD1-CB 3.85Å; L308-A349 HydrophobicContact CD2-CB 3.74Å; L308-A349 HydrophobicContact CG-CB 4.44Å
309N90Very high89.2Confident115 Ų11547.8 Ų47.862%0.61526%0.258SS*.THydrogen-bonded Turntrans-89.713.5179.2-62.513.6000113.5I305 L307I305-N309 WeakPolarHBondContact O-CB 3.47Å; I305-N309 VanDerWaalsContact O-CG 3.29Å; I305-N309 PolarHBondContact O-N 3.26Å; I305-N309 PolarHBondContact O-OD1 2.6Å; L307-N309 VanDerWaalsContact C-N 3.27Å; L307-N309 PolarHBondContact O-N 3.48Å
310Q86.9Confident89.3Confident48 Ų4847.6 Ų47.622%0.22426%0.257CS..SBendtrans-81.3154.5167.4-78.7176.6-29.700110.3Y306 L307 L308 P312 P313Y306-Q310 WeakPolarHBondContact O-CG 3.4Å; L307-Q310 PolarHBondContact O-N 3.4Å; L308-Q310 VanDerWaalsContact C-N 3.32Å; L308-Q310 PolarHBondContact O-N 3.16Å; Q310-P312 CarbonylContact C-O 3.26Å; Q310-P312 CarbonylContact O-C 3.6Å; Q310-P313 VanDerWaalsContact O-CA 3.24Å; Q310-P313 WeakPolarHBondContact O-CA 3.48Å
311D81.6Confident89.6Confident161 Ų16148.4 Ų48.486%0.86126%0.259SS*.SBendtrans-120.2114.8171.6-171.816.6000109.7
312P82.1Confident89.9Confident92 Ų9248 Ų4860%0.59726%0.257SS*.SBendcis-66159-11.930.6-36.2000111.8Q310 G314Q310-P312 CarbonylContact C-O 3.26Å; Q310-P312 CarbonylContact O-C 3.6Å; P312-G314 PolarHBondContact O-N 3.03Å
313P85.6Confident90.3Very high61 Ų6142.5 Ų42.540%0.39623%0.227SC..  trans-55.5125.3-178.5-29.836.6000113.2P288 Q310 I315P288-P313 WeakPolarHBondContact CD-O 3.35Å; Q310-P313 VanDerWaalsContact O-CA 3.24Å; Q310-P313 WeakPolarHBondContact O-CA 3.48Å; P313-I315 PolarHBondContact O-N 2.81Å; P313-I315 VanDerWaalsContact O-N 3.09Å
314G84.3Confident90.9Very high3 Ų340.4 Ų40.43%0.03122%0.219CC..SBendtrans-73.93.5-176.500000114.6A283 L307 P312A283-G314 WeakPolarHBondContact CA-O 3.26Å; L307-G314 PolarHBondContact O-N 3.3Å; P312-G314 PolarHBondContact O-N 3.03Å
315I89.8Confident91.1Very high4 Ų440.4 Ų40.42%0.02122%0.219CC..  trans-155.9143176.8-159.6162.5000110.4F243 I276 L297 L304 L307 L308 P313 L317F243-I315 HydrophobicContact CD2-CD1 4.26Å; F243-I315 HydrophobicContact CD2-CG1 4.19Å; F243-I315 HydrophobicContact CE2-CD1 3.79Å; F243-I315 HydrophobicContact CE2-CG1 3.93Å; I276-I315 HydrophobicContact CD1-CD1 3.88Å; L297-I315 HydrophobicContact CD2-CD1 3.48Å; L297-I315 VanDerWaalsContact CD2-CD1 3.48Å; L304-I315 HydrophobicContact CD1-CD1 4.08Å; L304-I315 HydrophobicContact CD1-CG2 4.21Å; L307-I315 HydrophobicContact CB-CB 4.21Å; L307-I315 HydrophobicContact CB-CG2 3.77Å; L307-I315 HydrophobicContact CD1-CD1 4.43Å; L308-I315 HydrophobicContact CD2-CG2 3.74Å; L308-I315 HydrophobicContact CG-CG2 4.1Å; P313-I315 PolarHBondContact O-N 2.81Å; P313-I315 VanDerWaalsContact O-N 3.09Å; I315-L317 HydrophobicContact CG1-CD2 4.49Å
316N89.9Confident91.3Very high62 Ų6239.5 Ų39.533%0.33221%0.214SC..  trans-111.4132.1174.1-171.3-19.5000110.4S318N316-S318 WeakPolarHBondContact OD1-CB 3.19Å; N316-S318 PolarHBondContact OD1-N 3.29Å; N316-S318 PolarHBondContact OD1-OG 3.01Å
317L93.6Very high91.3Very high3 Ų333.7 Ų33.72%0.01619%0.192CC..  trans-121.77.4179.9-57.9179.5000113.4F243 L246 L297 L304 L308 I315 S319 V320 A349F243-L317 HydrophobicContact CD2-CD2 4.43Å; L246-L317 HydrophobicContact CD2-CD1 4.01Å; L246-L317 HydrophobicContact CD2-CD2 4.41Å; L297-L317 HydrophobicContact CD2-CD2 4.21Å; L304-L317 HydrophobicContact CD1-CD1 4.26Å; L304-L317 HydrophobicContact CD2-CD1 4.14Å; L304-L317 HydrophobicContact CG-CD1 4.41Å; L308-L317 HydrophobicContact CD1-CD1 4.13Å; L308-L317 HydrophobicContact CD2-CD1 3.96Å; L308-L317 HydrophobicContact CD2-CG 4.3Å; I315-L317 HydrophobicContact CG1-CD2 4.49Å; L317-S319 PolarHBondContact O-N 3.08Å; L317-V320 HydrophobicContact CB-CG2 3.95Å; L317-V320 HydrophobicContact CD2-CG2 4.11Å; L317-V320 WeakPolarHBondContact O-CB 3.21Å; L317-V320 VanDerWaalsContact O-CG2 3.3Å; L317-V320 WeakPolarHBondContact O-CG2 3.27Å; L317-V320 PolarHBondContact O-N 3.03Å; L317-A349 CarbonylContact C-O 3.56Å; L317-A349 HydrophobicContact CB-CB 4.48Å; L317-A349 WeakPolarHBondContact CB-O 3.44Å; L317-A349 HydrophobicContact CD1-CB 4.08Å
318S92.4Very high91.3Very high47 Ų4733.7 Ų33.733%0.32919%0.192SC..THydrogen-bonded Turntrans-66.2-10.8-175.375.10000114.3N316 S351N316-S318 WeakPolarHBondContact OD1-CB 3.19Å; N316-S318 PolarHBondContact OD1-N 3.29Å; N316-S318 PolarHBondContact OD1-OG 3.01Å; S318-S351 WeakPolarHBondContact CB-OG 3.48Å
319S94.4Very high91.2Very high32 Ų3232.7 Ų32.722%0.22419%0.187CC..THydrogen-bonded Turntrans-100.42.5176.1-58.70000113.5L241 F243 R244 L317 E321L241-S319 PolarHBondContact O-OG 3.45Å; F243-S319 CarbonylContact O-C 3.53Å; F243-S319 VanDerWaalsContact O-C 3.26Å; R244-S319 WeakPolarHBondContact CA-O 3.46Å; L317-S319 PolarHBondContact O-N 3.08Å; S319-E321 PolarHBondContact O-N 3.34Å; S319-E321 VanDerWaalsContact O-N 3.13Å
320V96.6Very high90.8Very high0 Ų027.6 Ų27.60%016%0.159CC..  trans-67.5111.6-178.1173.90000110.8F243 R244 L246 L317 W322 C350 N352 V355F243-V320 HydrophobicContact CB-CG2 4.35Å; F243-V320 WeakPolarHBondContact O-CA 3.45Å; F243-V320 VanDerWaalsContact O-CG2 3.29Å; F243-V320 WeakPolarHBondContact O-CG2 3.32Å; F243-V320 PolarHBondContact O-N 2.85Å; R244-V320 CarbonylContact O-C 3.6Å; L246-V320 HydrophobicContact CB-CG1 4.2Å; L246-V320 HydrophobicContact CB-CG2 4.35Å; L317-V320 HydrophobicContact CB-CG2 3.95Å; L317-V320 HydrophobicContact CD2-CG2 4.11Å; L317-V320 WeakPolarHBondContact O-CB 3.21Å; L317-V320 VanDerWaalsContact O-CG2 3.3Å; L317-V320 WeakPolarHBondContact O-CG2 3.27Å; L317-V320 PolarHBondContact O-N 3.03Å; V320-W322 WeakPolarHBondContact CG1-O 3.28Å; V320-C350 HydrophobicContact CB-CB 4.29Å; V320-C350 HydrophobicContact CG1-CB 4.43Å; V320-N352 VanDerWaalsContact O-CB 3.29Å; V320-N352 WeakPolarHBondContact O-CB 3.5Å; V320-V355 HydrophobicContact CG1-CG2 4.42Å; V320-V355 WeakPolarHBondContact O-CG2 3.25Å
321E96.3Very high90.7Very high38 Ų3826 Ų2618%0.17815%0.152CC..SBendtrans-84.2-30.5173.2-68.1152.6-166.100111.1H234 L235 R244 S319 N352 V355 R356H234-E321 IonicContact CD2-OE2 2.79Å; L235-E321 VanDerWaalsContact CD2-OE2 3.24Å; L235-E321 WeakPolarHBondContact CD2-OE2 3.36Å; R244-E321 PolarHBondContact O-N 3.46Å; S319-E321 PolarHBondContact O-N 3.34Å; S319-E321 VanDerWaalsContact O-N 3.13Å; E321-N352 WeakPolarHBondContact CG-ND2 3.22Å; E321-V355 CarbonylContact O-C 3.49Å; E321-V355 WeakPolarHBondContact O-CA 3.39Å; E321-R356 PolarHBondContact O-N 2.87Å
322W97.3Very high90.8Very high1 Ų118.7 Ų18.70%0.00411%0.113CC..EExtended strand (participates in β ladder)trans-132.7131.9178.6-84.296.1000114.9M207 L231 H234 R244 A245 L246 V320 R356 A358M207-W322 HydrophobicContact CB-CH2 3.92Å; M207-W322 HydrophobicContact CB-CZ2 4.2Å; M207-W322 HydrophobicContact CE-CD2 4.25Å; M207-W322 HydrophobicContact CE-CE3 3.81Å; M207-W322 HydrophobicContact CE-CH2 4.22Å; M207-W322 HydrophobicContact CE-CZ3 3.8Å; M207-W322 HydrophobicContact CG-CH2 3.91Å; M207-W322 HydrophobicContact CG-CZ3 4.13Å; M207-W322 WeakPolarHBondContact O-CZ2 3.49Å; L231-W322 HydrophobicContact CD2-CB 3.31Å; L231-W322 HydrophobicContact CD2-CD2 4.34Å; L231-W322 HydrophobicContact CD2-CG 3.65Å; H234-W322 AromaticContact CD2-CD1 3.53Å; H234-W322 AromaticContact CD2-NE1 3.51Å; H234-W322 AromaticContact CE1-NE1 3.67Å; H234-W322 AromaticContact CG-CD1 3.8Å; H234-W322 AromaticContact CG-NE1 3.4Å; H234-W322 AromaticContact ND1-NE1 3.51Å; H234-W322 AromaticContact NE2-CD1 3.89Å; H234-W322 AromaticContact NE2-NE1 3.67Å; R244-W322 PolarHBondContact O-N 3.31Å; R244-W322 VanDerWaalsContact O-N 3.1Å; A245-W322 WeakPolarHBondContact CA-O 3.28Å; A245-W322 HydrophobicContact CB-CB 4.43Å; L246-W322 PolarHBondContact N-O 2.81Å; V320-W322 WeakPolarHBondContact CG1-O 3.28Å; W322-R356 CarbonylContact C-O 3.55Å; W322-R356 WeakPolarHBondContact CA-O 3.46Å; W322-R356 HydrophobicContact CD2-CB 3.92Å; W322-R356 HydrophobicContact CE3-CB 3.74Å; W322-R356 HydrophobicContact CH2-CB 3.58Å; W322-R356 HydrophobicContact CH2-CG 4.41Å; W322-R356 HydrophobicContact CZ2-CB 3.76Å; W322-R356 HydrophobicContact CZ2-CG 4.35Å; W322-R356 HydrophobicContact CZ3-CB 3.56Å; W322-A358 HydrophobicContact CZ3-CB 4.14Å
323L97.6Very high90.4Very high0 Ų017.8 Ų17.80%010%0.101CC..EExtended strand (participates in β ladder)trans-119.6106.9174.9176.250.5000111.2L246 I248 I346 F347 V355 R356 R357 A358L246-L323 HydrophobicContact CB-CD1 4.18Å; L246-L323 HydrophobicContact CD2-CD1 3.77Å; L246-L323 HydrophobicContact CG-CD1 3.72Å; L246-L323 WeakPolarHBondContact O-CA 3.28Å; I248-L323 HydrophobicContact CD1-CD1 3.77Å; I248-L323 HydrophobicContact CG1-CD1 4.12Å; L323-I346 HydrophobicContact CD2-CG2 4.26Å; L323-F347 HydrophobicContact CD2-CD1 3.44Å; L323-F347 VanDerWaalsContact CD2-CD1 3.44Å; L323-F347 HydrophobicContact CD2-CE1 3.4Å; L323-F347 HydrophobicContact CD2-CZ 4.47Å; L323-F347 HydrophobicContact CG-CE1 4.32Å; L323-V355 HydrophobicContact CB-CG2 4.48Å; L323-R356 PolarHBondContact N-O 3.14Å; L323-R357 HydrophobicContact CB-CG 4.35Å; L323-R357 VanDerWaalsContact O-CA 3.26Å; L323-R357 WeakPolarHBondContact O-CA 3.36Å; L323-A358 PolarHBondContact O-N 2.86Å
324V97.9Very high89.3Confident0 Ų021.3 Ų21.30%012%0.116CC..EExtended strand (participates in β ladder)trans-102133.9178.2-177.10000110.5M207 F227 L231 L246 V247 I248 A358 F360M207-V324 HydrophobicContact CE-CG2 4.25Å; F227-V324 HydrophobicContact CB-CG1 4.05Å; F227-V324 HydrophobicContact CB-CG2 4.27Å; F227-V324 HydrophobicContact CD1-CG1 3.85Å; F227-V324 HydrophobicContact CD2-CG1 4.04Å; F227-V324 HydrophobicContact CE1-CG1 4.19Å; F227-V324 HydrophobicContact CE2-CG1 4.4Å; F227-V324 HydrophobicContact CG-CG1 3.76Å; F227-V324 HydrophobicContact CZ-CG1 4.45Å; L231-V324 HydrophobicContact CD1-CG2 4Å; L231-V324 HydrophobicContact CD2-CG2 4.26Å; L231-V324 HydrophobicContact CG-CG2 4.37Å; L246-V324 PolarHBondContact O-N 3.27Å; V247-V324 WeakPolarHBondContact CA-O 3.3Å; V247-V324 HydrophobicContact CB-CB 4.45Å; V247-V324 HydrophobicContact CG1-CB 4.14Å; V247-V324 HydrophobicContact CG1-CG1 4.18Å; V247-V324 HydrophobicContact CG2-CB 4.19Å; I248-V324 PolarHBondContact N-O 3.2Å; V324-A358 CarbonylContact C-O 3.09Å; V324-A358 WeakPolarHBondContact CA-O 3.3Å; V324-A358 HydrophobicContact CG2-CB 4.43Å; V324-F360 HydrophobicContact CG1-CD2 3.94Å; V324-F360 HydrophobicContact CG1-CE2 4.34Å
325V96.7Very high88.1Confident0 Ų021.5 Ų21.50%012%0.118CC..EExtended strand (participates in β ladder)trans-117.7102.4176.8-174.80000109.2L331 F339 L343 A358 F359 F360V325-L331 HydrophobicContact CG1-CD1 3.46Å; V325-L331 VanDerWaalsContact CG1-CD1 3.46Å; V325-F339 HydrophobicContact CG1-CE1 4.18Å; V325-F339 HydrophobicContact CG1-CZ 4.03Å; V325-L343 HydrophobicContact CG2-CD1 4.22Å; V325-A358 PolarHBondContact N-O 2.86Å; V325-F359 HydrophobicContact CB-CD1 3.91Å; V325-F359 HydrophobicContact CB-CE1 3.84Å; V325-F359 HydrophobicContact CB-CE2 4.44Å; V325-F359 HydrophobicContact CB-CG 4.25Å; V325-F359 HydrophobicContact CB-CZ 4.09Å; V325-F359 HydrophobicContact CG1-CD1 4.12Å; V325-F359 HydrophobicContact CG1-CE1 3.93Å; V325-F359 HydrophobicContact CG2-CD1 4.37Å; V325-F359 HydrophobicContact CG2-CE1 3.85Å; V325-F359 HydrophobicContact CG2-CE2 4Å; V325-F359 HydrophobicContact CG2-CZ 3.61Å; V325-F360 PolarHBondContact O-N 3.27Å
326D94.2Very high86.1Confident4 Ų428.8 Ų28.82%0.02115%0.15CC..THydrogen-bonded Turntrans-94.4152.1-177.2-171.625.1000112.4F227 I248 P250 S328 L331F227-D326 HydrophobicContact CE1-CB 4.14Å; F227-D326 HydrophobicContact CZ-CB 4.26Å; I248-D326 PolarHBondContact O-N 2.98Å; P250-D326 VanDerWaalsContact CD-O 3.22Å; P250-D326 WeakPolarHBondContact CD-O 3.41Å; D326-S328 PolarHBondContact O-N 3.44Å; D326-L331 WeakPolarHBondContact O-CD1 3.26Å
327E90.3Very high84.2Confident11 Ų1131.6 Ų31.65%0.05117%0.169CC..THydrogen-bonded Turntrans41.547.4-166.3-81-169.7-176.300112.1P250 L254 D329 K330 L331 F360 H506 R510P250-E327 HydrophobicContact CG-CB 3.68Å; L254-E327 HydrophobicContact CD2-CB 3.9Å; L254-E327 HydrophobicContact CD2-CG 3.72Å; E327-D329 PolarHBondContact O-N 2.8Å; E327-K330 HydrophobicContact CB-CB 4.39Å; E327-K330 HydrophobicContact CB-CG 3.92Å; E327-K330 HydrophobicContact CG-CG 4.48Å; E327-K330 VanDerWaalsContact O-CB 3.29Å; E327-K330 WeakPolarHBondContact O-CB 3.28Å; E327-K330 PolarHBondContact O-N 2.84Å; E327-L331 PolarHBondContact O-N 2.86Å; E327-F360 PolarHBondContact N-O 3.22Å; E327-H506 IonicContact OE2-CE1 2.99Å; E327-R510 IonicContact OE1-NH2 2.8Å
328S89.9Confident83.1Confident0 Ų032.3 Ų32.30%018%0.178CC..Hα-helixtrans-59.7-27.2-176.154.80000114.2D326 K330 L331 F332 F360 S361D326-S328 PolarHBondContact O-N 3.44Å; S328-K330 VanDerWaalsContact C-N 3.34Å; S328-K330 PolarHBondContact O-N 3.21Å; S328-L331 PolarHBondContact O-N 2.89Å; S328-F332 VanDerWaalsContact O-CD2 3.25Å; S328-F332 WeakPolarHBondContact O-CD2 3.28Å; S328-F332 PolarHBondContact O-N 3.4Å; S328-F360 WeakPolarHBondContact CB-O 3.49Å; S328-F360 PolarHBondContact N-O 3.25Å; S328-F360 PolarHBondContact OG-O 2.94Å; S328-S361 WeakPolarHBondContact OG-CB 3.24Å
329D87Confident82.5Confident4 Ų430.9 Ų30.92%0.02117%0.165CC..Hα-helixtrans-60.4-39169.757.53.1000113.1E327 S361 T363 T365 V502 H506E327-D329 PolarHBondContact O-N 2.8Å; D329-S361 VanDerWaalsContact CB-OG 3.27Å; D329-S361 WeakPolarHBondContact CB-OG 3.33Å; D329-S361 VanDerWaalsContact CG-OG 3.26Å; D329-S361 PolarHBondContact N-OG 2.91Å; D329-S361 PolarHBondContact OD2-OG 2.81Å; D329-T363 WeakPolarHBondContact CB-OG1 3.36Å; D329-T363 WeakPolarHBondContact OD2-CB 3.43Å; D329-T363 PolarHBondContact OD2-N 3.39Å; D329-T363 PolarHBondContact OD2-OG1 3.11Å; D329-T365 HydrophobicContact CB-CG2 4.05Å; D329-V502 HydrophobicContact CB-CG1 4.5Å; D329-H506 IonicContact OD1-CE1 3.03Å; D329-H506 PolarHBondContact OD1-CE1 3.27Å; D329-H506 IonicContact OD1-NE2 3.19Å; D329-H506 PolarHBondContact OD1-NE2 3.39Å; D329-H506 IonicContact OD2-CE1 2.6Å; D329-H506 IonicContact OD2-NE2 3.1Å; D329-H506 PolarHBondContact OD2-NE2 3.24Å
330K83.1Confident82Confident9 Ų931.6 Ų31.64%0.03916%0.163CC..Hα-helixtrans-66.2-45.3174.9-58.3-56.388.7164.50112P250 E327 S328 F332 E333 H506P250-K330 HydrophobicContact CB-CB 4.01Å; P250-K330 HydrophobicContact CG-CB 3.97Å; P250-K330 HydrophobicContact CG-CG 4.36Å; E327-K330 HydrophobicContact CB-CB 4.39Å; E327-K330 HydrophobicContact CB-CG 3.92Å; E327-K330 HydrophobicContact CG-CG 4.48Å; E327-K330 VanDerWaalsContact O-CB 3.29Å; E327-K330 WeakPolarHBondContact O-CB 3.28Å; E327-K330 PolarHBondContact O-N 2.84Å; S328-K330 VanDerWaalsContact C-N 3.34Å; S328-K330 PolarHBondContact O-N 3.21Å; K330-F332 PolarHBondContact O-N 3.5Å; K330-F332 VanDerWaalsContact O-N 3.15Å; K330-E333 WeakPolarHBondContact CE-OE1 3.37Å; K330-E333 IonicContact NZ-OE1 3.02Å; K330-E333 PolarHBondContact NZ-OE1 3.07Å; K330-E333 WeakPolarHBondContact O-CB 3.47Å; K330-E333 PolarHBondContact O-N 3.42Å; K330-E333 VanDerWaalsContact O-N 3.08Å; K330-H506 WeakPolarHBondContact CD-CE1 3.14Å; K330-H506 WeakPolarHBondContact CD-ND1 3.42Å; K330-H506 WeakPolarHBondContact CE-CE1 3.3Å; K330-H506 WeakPolarHBondContact CE-ND1 3Å; K330-H506 WeakPolarHBondContact CG-CE1 3.41Å; K330-H506 PolarHBondContact NZ-ND1 2.81Å
331L83.6Confident81.4Confident15 Ų1537.1 Ų37.18%0.07919%0.189CC..Hα-helixtrans-61.1-23.9-177.3-75.2168.6000112.5I248 P250 P301 V325 D326 E327 S328 F339I248-L331 HydrophobicContact CG2-CD1 4.25Å; P250-L331 HydrophobicContact CB-CD2 3.86Å; P250-L331 HydrophobicContact CB-CG 3.98Å; P250-L331 HydrophobicContact CG-CG 4.41Å; P301-L331 HydrophobicContact CG-CD2 3.61Å; V325-L331 HydrophobicContact CG1-CD1 3.46Å; V325-L331 VanDerWaalsContact CG1-CD1 3.46Å; D326-L331 WeakPolarHBondContact O-CD1 3.26Å; E327-L331 PolarHBondContact O-N 2.86Å; S328-L331 PolarHBondContact O-N 2.89Å; L331-F339 HydrophobicContact CB-CD1 3.53Å; L331-F339 HydrophobicContact CB-CE1 3.58Å; L331-F339 HydrophobicContact CB-CG 4.05Å; L331-F339 HydrophobicContact CB-CZ 4.21Å; L331-F339 HydrophobicContact CD1-CE1 3.94Å; L331-F339 HydrophobicContact CD1-CE2 4.44Å; L331-F339 HydrophobicContact CD1-CZ 3.82Å; L331-F339 HydrophobicContact CD2-CD1 4.44Å; L331-F339 HydrophobicContact CD2-CD2 4.08Å; L331-F339 HydrophobicContact CD2-CE1 4.4Å; L331-F339 HydrophobicContact CD2-CE2 4.1Å; L331-F339 HydrophobicContact CD2-CG 4.25Å; L331-F339 HydrophobicContact CD2-CZ 4.23Å; L331-F339 HydrophobicContact CG-CD1 4.43Å; L331-F339 HydrophobicContact CG-CE1 4.19Å; L331-F339 HydrophobicContact CG-CZ 4.33Å; L331-F339 WeakPolarHBondContact O-CB 3.35Å
332F84.2Confident81Confident6 Ų637.2 Ų37.23%0.02619%0.19CC..THydrogen-bonded Turntrans-96.7-4.3177.4-78.3-114.8000114.7S328 K330 D334 G335 F339 R340 L343 F359 E367 V368 W371S328-F332 VanDerWaalsContact O-CD2 3.25Å; S328-F332 WeakPolarHBondContact O-CD2 3.28Å; S328-F332 PolarHBondContact O-N 3.4Å; K330-F332 PolarHBondContact O-N 3.5Å; K330-F332 VanDerWaalsContact O-N 3.15Å; F332-D334 VanDerWaalsContact C-N 3.32Å; F332-D334 PolarHBondContact O-N 3.05Å; F332-G335 PolarHBondContact O-N 3.31Å; F332-G335 VanDerWaalsContact O-N 3.14Å; F332-F339 AromaticContact CD2-CD1 3.91Å; F332-F339 HydrophobicContact CD2-CD1 3.91Å; F332-F339 HydrophobicContact CD2-CE1 4.17Å; F332-F339 AromaticContact CE2-CD1 3.78Å; F332-F339 HydrophobicContact CE2-CD1 3.78Å; F332-F339 AromaticContact CE2-CE1 3.73Å; F332-F339 HydrophobicContact CE2-CE1 3.73Å; F332-R340 HydrophobicContact CD1-CG 4.36Å; F332-R340 HydrophobicContact CE1-CG 3.95Å; F332-L343 HydrophobicContact CE2-CD2 4.4Å; F332-L343 HydrophobicContact CZ-CD2 4.28Å; F332-F359 HydrophobicContact CE2-CE1 4.44Å; F332-E367 HydrophobicContact CD1-CG 4.46Å; F332-V368 HydrophobicContact CB-CG2 3.95Å; F332-V368 HydrophobicContact CD1-CG2 4.27Å; F332-V368 HydrophobicContact CD2-CG2 3.91Å; F332-V368 HydrophobicContact CE2-CG2 4.45Å; F332-V368 HydrophobicContact CG-CG2 3.79Å; F332-W371 HydrophobicContact CE1-CB 3.66Å; F332-W371 AromaticContact CE1-CD1 3.93Å; F332-W371 HydrophobicContact CE1-CD2 4.02Å; F332-W371 AromaticContact CE1-CG 3.54Å; F332-W371 HydrophobicContact CE1-CG 3.54Å; F332-W371 HydrophobicContact CZ-CB 4.09Å; F332-W371 AromaticContact CZ-CD2 3.7Å; F332-W371 HydrophobicContact CZ-CD2 3.7Å; F332-W371 AromaticContact CZ-CE3 3.98Å; F332-W371 HydrophobicContact CZ-CE3 3.98Å; F332-W371 AromaticContact CZ-CG 3.75Å; F332-W371 HydrophobicContact CZ-CG 3.75Å
333E73.5Confident80.7Confident74 Ų7437.2 Ų37.235%0.34619%0.189SC..THydrogen-bonded Turntrans-58.5-36.5-175.4-79.2-178163.100113.7K330 G335 R482K330-E333 WeakPolarHBondContact CE-OE1 3.37Å; K330-E333 IonicContact NZ-OE1 3.02Å; K330-E333 PolarHBondContact NZ-OE1 3.07Å; K330-E333 WeakPolarHBondContact O-CB 3.47Å; K330-E333 PolarHBondContact O-N 3.42Å; K330-E333 VanDerWaalsContact O-N 3.08Å; E333-G335 VanDerWaalsContact C-N 3.25Å; E333-G335 PolarHBondContact O-N 3.31Å; E333-R482 IonicContact OE1-NH2 2.87Å; E333-R482 PolarHBondContact OE1-NH2 2.82Å; E333-R482 IonicContact OE2-CZ 3.61Å; E333-R482 IonicContact OE2-NH1 3.73Å; E333-R482 PolarHBondContact OE2-NH1 2.9Å; E333-R482 IonicContact OE2-NH2 3.88Å; E333-R482 PolarHBondContact OE2-NH2 3.05Å
334D62.8Low80.2Confident134 Ų13439.4 Ų39.472%0.71721%0.208SC*.THydrogen-bonded Turntrans-70.6-20.1-178.5-73.9-45.2000113.6F332 K566F332-D334 VanDerWaalsContact C-N 3.32Å; F332-D334 PolarHBondContact O-N 3.05Å; D334-K566 PolarHBondContact O-NZ 3.09Å
335G58.8Low80Confident8 Ų842 Ų428%0.08222%0.224CC..  trans103.5-131.2173.400000114.3F332 E333 R340F332-G335 PolarHBondContact O-N 3.31Å; F332-G335 VanDerWaalsContact O-N 3.14Å; E333-G335 VanDerWaalsContact C-N 3.25Å; E333-G335 PolarHBondContact O-N 3.31Å; G335-R340 PolarHBondContact O-NH1 3.14Å
336K48.6Very low79.8Confident157 Ų15742 Ų4268%0.68322%0.224SC*.SBendtrans-81.1-49.9-169.7-76.3-165.3171.9-1670113.9G338K336-G338 PolarHBondContact O-N 3.49Å; K336-G338 VanDerWaalsContact O-N 3.14Å
337T50.2Low79.7Confident120 Ų12043.2 Ų43.274%0.73623%0.229SC*.SBendtrans-91.761.4-164.756.20000112.2E341T337-E341 WeakPolarHBondContact CA-OE1 3.39Å
338G70.5Confident79.8Confident19 Ų1949.6 Ų49.620%0.19626%0.263CS..SBendtrans-170-119.1-171.100000110.9K336 R340 E341 Q342K336-G338 PolarHBondContact O-N 3.49Å; K336-G338 VanDerWaalsContact O-N 3.14Å; G338-R340 PolarHBondContact O-N 2.95Å; G338-E341 PolarHBondContact O-N 3.42Å; G338-E341 VanDerWaalsContact O-N 3.16Å; G338-Q342 PolarHBondContact O-N 2.81Å
339F79.6Confident79.9Confident16 Ų1650.8 Ų50.87%0.0727%0.273CS..Hα-helixtrans-55.7-30.3-174-179.8-118.4000114.9I248 P301 V325 L331 F332 E341 Q342 L343I248-F339 HydrophobicContact CG2-CE2 4.25Å; I248-F339 HydrophobicContact CG2-CZ 4.38Å; P301-F339 HydrophobicContact CB-CD2 3.66Å; P301-F339 HydrophobicContact CB-CE2 3.78Å; P301-F339 HydrophobicContact CG-CD2 3.51Å; P301-F339 HydrophobicContact CG-CE2 3.42Å; P301-F339 VanDerWaalsContact CG-CE2 3.42Å; P301-F339 HydrophobicContact CG-CZ 4.5Å; V325-F339 HydrophobicContact CG1-CE1 4.18Å; V325-F339 HydrophobicContact CG1-CZ 4.03Å; L331-F339 HydrophobicContact CB-CD1 3.53Å; L331-F339 HydrophobicContact CB-CE1 3.58Å; L331-F339 HydrophobicContact CB-CG 4.05Å; L331-F339 HydrophobicContact CB-CZ 4.21Å; L331-F339 HydrophobicContact CD1-CE1 3.94Å; L331-F339 HydrophobicContact CD1-CE2 4.44Å; L331-F339 HydrophobicContact CD1-CZ 3.82Å; L331-F339 HydrophobicContact CD2-CD1 4.44Å; L331-F339 HydrophobicContact CD2-CD2 4.08Å; L331-F339 HydrophobicContact CD2-CE1 4.4Å; L331-F339 HydrophobicContact CD2-CE2 4.1Å; L331-F339 HydrophobicContact CD2-CG 4.25Å; L331-F339 HydrophobicContact CD2-CZ 4.23Å; L331-F339 HydrophobicContact CG-CD1 4.43Å; L331-F339 HydrophobicContact CG-CE1 4.19Å; L331-F339 HydrophobicContact CG-CZ 4.33Å; L331-F339 WeakPolarHBondContact O-CB 3.35Å; F332-F339 AromaticContact CD2-CD1 3.91Å; F332-F339 HydrophobicContact CD2-CD1 3.91Å; F332-F339 HydrophobicContact CD2-CE1 4.17Å; F332-F339 AromaticContact CE2-CD1 3.78Å; F332-F339 HydrophobicContact CE2-CD1 3.78Å; F332-F339 AromaticContact CE2-CE1 3.73Å; F332-F339 HydrophobicContact CE2-CE1 3.73Å; F339-E341 PolarHBondContact O-N 3Å; F339-Q342 HydrophobicContact CD2-CB 4.45Å; F339-Q342 WeakPolarHBondContact O-CB 3.2Å; F339-Q342 PolarHBondContact O-N 2.83Å; F339-L343 HydrophobicContact CD1-CD2 4.39Å; F339-L343 HydrophobicContact CE1-CB 4.21Å; F339-L343 HydrophobicContact CE1-CD1 4.35Å; F339-L343 HydrophobicContact CE1-CD2 3.67Å; F339-L343 HydrophobicContact CE1-CG 4.32Å; F339-L343 HydrophobicContact CE2-CB 4.18Å; F339-L343 HydrophobicContact CE2-CD1 4.32Å; F339-L343 HydrophobicContact CZ-CB 4.02Å; F339-L343 HydrophobicContact CZ-CD1 3.74Å; F339-L343 HydrophobicContact CZ-CD2 3.95Å; F339-L343 HydrophobicContact CZ-CG 4.13Å; F339-L343 WeakPolarHBondContact O-CB 3.38Å; F339-L343 PolarHBondContact O-N 2.84Å
340R83.1Confident80.3Confident47 Ų4750.8 Ų50.818%0.17727%0.273CS..Hα-helixtrans-61.1-43.4178.5-73.8-174.5168.6106.1-12.3113.7F332 G335 G338 L343 A344 E367F332-R340 HydrophobicContact CD1-CG 4.36Å; F332-R340 HydrophobicContact CE1-CG 3.95Å; G335-R340 PolarHBondContact O-NH1 3.14Å; G338-R340 PolarHBondContact O-N 2.95Å; R340-L343 PolarHBondContact O-N 3.49Å; R340-A344 PolarHBondContact O-N 3.15Å; R340-E367 IonicContact CZ-OE1 2.69Å; R340-E367 VanDerWaalsContact CZ-OE1 3.23Å; R340-E367 IonicContact NH1-OE1 3.47Å; R340-E367 PolarHBondContact NH1-OE1 2.82Å; R340-E367 IonicContact NH2-OE1 3.82Å; R340-E367 PolarHBondContact NH2-OE1 2.89Å
341E84Confident80.7Confident116 Ų11654.4 Ų54.454%0.54230%0.299SS..Hα-helixtrans-68.5-42179.7-69.9156.6-160.300109.4T337 G338 F339 L343 A344 T345T337-E341 WeakPolarHBondContact CA-OE1 3.39Å; G338-E341 PolarHBondContact O-N 3.42Å; G338-E341 VanDerWaalsContact O-N 3.16Å; F339-E341 PolarHBondContact O-N 3Å; E341-L343 PolarHBondContact O-N 2.97Å; E341-A344 WeakPolarHBondContact O-CB 3.23Å; E341-A344 PolarHBondContact O-N 3.04Å; E341-T345 PolarHBondContact O-N 3.31Å; E341-T345 PolarHBondContact O-OG1 2.96Å
342Q89.1Confident81.2Confident41 Ų4155.4 Ų55.419%0.19231%0.305CS..Hα-helixtrans-60.7-44.2173.2-59.6178.5-11.300112.3N302 I305 G338 F339 A344 T345 I346N302-Q342 PolarHBondContact OD1-NE2 3.2Å; N302-Q342 PolarHBondContact OD1-OE1 3.46Å; I305-Q342 HydrophobicContact CD1-CB 3.93Å; I305-Q342 HydrophobicContact CD1-CG 4.42Å; I305-Q342 WeakPolarHBondContact CD1-O 3.21Å; I305-Q342 HydrophobicContact CG1-CB 3.77Å; I305-Q342 HydrophobicContact CG1-CG 3.96Å; G338-Q342 PolarHBondContact O-N 2.81Å; F339-Q342 HydrophobicContact CD2-CB 4.45Å; F339-Q342 WeakPolarHBondContact O-CB 3.2Å; F339-Q342 PolarHBondContact O-N 2.83Å; Q342-A344 VanDerWaalsContact C-N 3.31Å; Q342-A344 PolarHBondContact O-N 3.31Å; Q342-T345 WeakPolarHBondContact O-CB 3.19Å; Q342-T345 PolarHBondContact O-N 2.88Å; Q342-I346 WeakPolarHBondContact O-CD1 3.44Å; Q342-I346 VanDerWaalsContact O-CG1 3.28Å; Q342-I346 WeakPolarHBondContact O-CG1 3.41Å; Q342-I346 PolarHBondContact O-N 3.03Å
343L89.2Confident81.4Confident0 Ų060 Ų600%034%0.344CS..Hα-helixtrans-65.5-35.9179.7-173.559.9000111.4I248 V325 F332 F339 R340 E341 I346 F347 F359 W371I248-L343 HydrophobicContact CD1-CD1 4.42Å; V325-L343 HydrophobicContact CG2-CD1 4.22Å; F332-L343 HydrophobicContact CE2-CD2 4.4Å; F332-L343 HydrophobicContact CZ-CD2 4.28Å; F339-L343 HydrophobicContact CD1-CD2 4.39Å; F339-L343 HydrophobicContact CE1-CB 4.21Å; F339-L343 HydrophobicContact CE1-CD1 4.35Å; F339-L343 HydrophobicContact CE1-CD2 3.67Å; F339-L343 HydrophobicContact CE1-CG 4.32Å; F339-L343 HydrophobicContact CE2-CB 4.18Å; F339-L343 HydrophobicContact CE2-CD1 4.32Å; F339-L343 HydrophobicContact CZ-CB 4.02Å; F339-L343 HydrophobicContact CZ-CD1 3.74Å; F339-L343 HydrophobicContact CZ-CD2 3.95Å; F339-L343 HydrophobicContact CZ-CG 4.13Å; F339-L343 WeakPolarHBondContact O-CB 3.38Å; F339-L343 PolarHBondContact O-N 2.84Å; R340-L343 PolarHBondContact O-N 3.49Å; E341-L343 PolarHBondContact O-N 2.97Å; L343-I346 PolarHBondContact O-N 3.44Å; L343-F347 HydrophobicContact CD1-CD1 3.8Å; L343-F347 HydrophobicContact CD1-CE1 3.47Å; L343-F347 VanDerWaalsContact CD1-CE1 3.47Å; L343-F347 HydrophobicContact CD1-CZ 4.42Å; L343-F347 HydrophobicContact CD2-CE1 4.46Å; L343-F347 HydrophobicContact CG-CD1 4.04Å; L343-F347 HydrophobicContact CG-CE1 3.79Å; L343-F347 HydrophobicContact CG-CZ 4.41Å; L343-F347 WeakPolarHBondContact O-CB 3.34Å; L343-F347 WeakPolarHBondContact O-CD1 3.31Å; L343-F347 WeakPolarHBondContact O-CG 3.28Å; L343-F347 PolarHBondContact O-N 2.96Å; L343-F359 HydrophobicContact CD2-CE1 4.04Å; L343-F359 HydrophobicContact CD2-CZ 3.95Å; L343-W371 HydrophobicContact CD2-CE3 4.39Å; L343-W371 HydrophobicContact CD2-CH2 3.35Å; L343-W371 HydrophobicContact CD2-CZ2 3.61Å; L343-W371 HydrophobicContact CD2-CZ3 3.79Å; L343-W371 HydrophobicContact CG-CH2 3.91Å; L343-W371 HydrophobicContact CG-CZ2 4.13Å
344A88.8Confident82.2Confident47 Ų4764 Ų6439%0.38836%0.36SS..Hα-helixtrans-63.4-45.717100000112R340 E341 Q342 I346 F347 L348R340-A344 PolarHBondContact O-N 3.15Å; E341-A344 WeakPolarHBondContact O-CB 3.23Å; E341-A344 PolarHBondContact O-N 3.04Å; Q342-A344 VanDerWaalsContact C-N 3.31Å; Q342-A344 PolarHBondContact O-N 3.31Å; A344-I346 VanDerWaalsContact C-N 3.29Å; A344-I346 PolarHBondContact O-N 3.09Å; A344-F347 PolarHBondContact O-N 3.38Å; A344-L348 WeakPolarHBondContact O-CG 3.44Å; A344-L348 PolarHBondContact O-N 3.23Å
345T91.9Very high83.8Confident55 Ų5558.2 Ų58.234%0.33733%0.33SS..Hα-helixtrans-58.4-40.7173.1-53.10000112I305 E341 Q342 L348 A349I305-T345 HydrophobicContact CD1-CG2 3.77Å; E341-T345 PolarHBondContact O-N 3.31Å; E341-T345 PolarHBondContact O-OG1 2.96Å; Q342-T345 WeakPolarHBondContact O-CB 3.19Å; Q342-T345 PolarHBondContact O-N 2.88Å; T345-L348 PolarHBondContact O-N 3.08Å; T345-A349 WeakPolarHBondContact O-CB 3.47Å; T345-A349 PolarHBondContact O-N 2.7Å
346I93.4Very high85.6Confident0 Ų061.4 Ų61.40%034%0.339CS..Hα-helixtrans-70.5-39.2178.9-65.5159.1000111.4L246 I248 L304 I305 L308 L323 Q342 L343 A344 L348 A349 C350L246-I346 HydrophobicContact CD2-CG2 3.88Å; I248-I346 HydrophobicContact CD1-CD1 3.98Å; I248-I346 HydrophobicContact CD1-CG2 4.06Å; L304-I346 HydrophobicContact CD2-CD1 3.97Å; L304-I346 HydrophobicContact CD2-CG1 3.92Å; L304-I346 HydrophobicContact CD2-CG2 3.99Å; L304-I346 HydrophobicContact CG-CG1 4.45Å; I305-I346 HydrophobicContact CD1-CD1 4.16Å; I305-I346 HydrophobicContact CD1-CG1 3.87Å; I305-I346 HydrophobicContact CG1-CD1 4.32Å; I305-I346 HydrophobicContact CG1-CG1 4.5Å; L308-I346 HydrophobicContact CD1-CG1 4.07Å; L323-I346 HydrophobicContact CD2-CG2 4.26Å; Q342-I346 WeakPolarHBondContact O-CD1 3.44Å; Q342-I346 VanDerWaalsContact O-CG1 3.28Å; Q342-I346 WeakPolarHBondContact O-CG1 3.41Å; Q342-I346 PolarHBondContact O-N 3.03Å; L343-I346 PolarHBondContact O-N 3.44Å; A344-I346 VanDerWaalsContact C-N 3.29Å; A344-I346 PolarHBondContact O-N 3.09Å; I346-L348 VanDerWaalsContact C-N 3.34Å; I346-L348 PolarHBondContact O-N 3.39Å; I346-A349 PolarHBondContact O-N 2.98Å; I346-C350 PolarHBondContact O-N 2.75Å; I346-C350 PolarHBondContact O-SG 3.38Å
347F92.3Very high87.8Confident29 Ų2956.7 Ų56.713%0.12732%0.317CS..Hα-helixtrans-60.8-42.9174.2-86.632.7000111.2L323 L343 A344 A349 C350 R357 F359 W371 N375L323-F347 HydrophobicContact CD2-CD1 3.44Å; L323-F347 VanDerWaalsContact CD2-CD1 3.44Å; L323-F347 HydrophobicContact CD2-CE1 3.4Å; L323-F347 HydrophobicContact CD2-CZ 4.47Å; L323-F347 HydrophobicContact CG-CE1 4.32Å; L343-F347 HydrophobicContact CD1-CD1 3.8Å; L343-F347 HydrophobicContact CD1-CE1 3.47Å; L343-F347 VanDerWaalsContact CD1-CE1 3.47Å; L343-F347 HydrophobicContact CD1-CZ 4.42Å; L343-F347 HydrophobicContact CD2-CE1 4.46Å; L343-F347 HydrophobicContact CG-CD1 4.04Å; L343-F347 HydrophobicContact CG-CE1 3.79Å; L343-F347 HydrophobicContact CG-CZ 4.41Å; L343-F347 WeakPolarHBondContact O-CB 3.34Å; L343-F347 WeakPolarHBondContact O-CD1 3.31Å; L343-F347 WeakPolarHBondContact O-CG 3.28Å; L343-F347 PolarHBondContact O-N 2.96Å; A344-F347 PolarHBondContact O-N 3.38Å; F347-A349 VanDerWaalsContact C-N 3.35Å; F347-C350 PolarHBondContact O-N 3.09Å; F347-R357 HydrophobicContact CE2-CG 4.47Å; F347-R357 HydrophobicContact CZ-CG 4.09Å; F347-F359 HydrophobicContact CE1-CZ 4.45Å; F347-F359 HydrophobicContact CZ-CE2 4.16Å; F347-F359 HydrophobicContact CZ-CZ 4.05Å; F347-W371 HydrophobicContact CD2-CH2 4.42Å; F347-W371 HydrophobicContact CE1-CH2 4.3Å; F347-W371 AromaticContact CE2-CH2 3.63Å; F347-W371 HydrophobicContact CE2-CH2 3.63Å; F347-W371 HydrophobicContact CE2-CZ3 4.31Å; F347-W371 AromaticContact CZ-CH2 3.57Å; F347-W371 HydrophobicContact CZ-CH2 3.57Å; F347-W371 HydrophobicContact CZ-CZ3 4.05Å; F347-N375 HydrophobicContact CE2-CB 4.49Å
348L92Very high90.1Very high144 Ų14451 Ų5175%0.75428%0.282SS*.Hα-helixtrans-65.7-35.2175.4-69.6168.1000112.7A344 T345 I346 C350A344-L348 WeakPolarHBondContact O-CG 3.44Å; A344-L348 PolarHBondContact O-N 3.23Å; T345-L348 PolarHBondContact O-N 3.08Å; I346-L348 VanDerWaalsContact C-N 3.34Å; I346-L348 PolarHBondContact O-N 3.39Å; L348-C350 VanDerWaalsContact C-N 3.34Å
349A93Very high91.4Very high26 Ų2650.1 Ų50.122%0.21527%0.273CS..Hα-helixtrans-72-25.3175.700000113.6L308 L317 T345 I346 F347 S351L308-A349 HydrophobicContact CD1-CB 3.85Å; L308-A349 HydrophobicContact CD2-CB 3.74Å; L308-A349 HydrophobicContact CG-CB 4.44Å; L317-A349 CarbonylContact C-O 3.56Å; L317-A349 HydrophobicContact CB-CB 4.48Å; L317-A349 WeakPolarHBondContact CB-O 3.44Å; L317-A349 HydrophobicContact CD1-CB 4.08Å; T345-A349 WeakPolarHBondContact O-CB 3.47Å; T345-A349 PolarHBondContact O-N 2.7Å; I346-A349 PolarHBondContact O-N 2.98Å; F347-A349 VanDerWaalsContact C-N 3.35Å; A349-S351 PolarHBondContact O-N 2.89Å; A349-S351 VanDerWaalsContact O-N 3.09Å
350C94.2Very high92.2Very high4 Ų449.3 Ų49.33%0.02727%0.269CS..  trans-84.760.2174.7-59.80000110.6V320 I346 F347 L348 N352 V355V320-C350 HydrophobicContact CB-CB 4.29Å; V320-C350 HydrophobicContact CG1-CB 4.43Å; I346-C350 PolarHBondContact O-N 2.75Å; I346-C350 PolarHBondContact O-SG 3.38Å; F347-C350 PolarHBondContact O-N 3.09Å; L348-C350 VanDerWaalsContact C-N 3.34Å; C350-N352 PolarHBondContact O-N 3.5Å; C350-V355 HydrophobicContact CB-CG2 4.29Å
351S92.1Very high92.6Very high85 Ų8547.1 Ų47.159%0.59426%0.261SS*.  trans-73.59.1-168.2570000116.4S318 A349 A353S318-S351 WeakPolarHBondContact CB-OG 3.48Å; A349-S351 PolarHBondContact O-N 2.89Å; A349-S351 VanDerWaalsContact O-N 3.09Å; S351-A353 PolarHBondContact O-N 3.25Å
352N93.1Very high92.7Very high36 Ų3641.9 Ų41.919%0.19324%0.238CC..  trans-71.4123.5177.2-173-12.5000110.6V320 E321 C350 K354 V355V320-N352 VanDerWaalsContact O-CB 3.29Å; V320-N352 WeakPolarHBondContact O-CB 3.5Å; E321-N352 WeakPolarHBondContact CG-ND2 3.22Å; C350-N352 PolarHBondContact O-N 3.5Å; N352-K354 PolarHBondContact O-N 3.32Å; N352-K354 VanDerWaalsContact O-N 3.08Å; N352-K354 WeakPolarHBondContact OD1-CB 3.5Å; N352-K354 PolarHBondContact OD1-N 2.71Å; N352-V355 VanDerWaalsContact O-CB 3.32Å; N352-V355 WeakPolarHBondContact O-CB 3.32Å; N352-V355 VanDerWaalsContact O-CG1 3.3Å; N352-V355 WeakPolarHBondContact O-CG1 3.3Å; N352-V355 PolarHBondContact O-N 2.87Å
353A89.9Confident92.5Very high103 Ų10340 Ų4085%0.85123%0.229SC*.THydrogen-bonded Turntrans-59.6-21.117700000113.9S351S351-A353 PolarHBondContact O-N 3.25Å
354K90.3Very high92.3Very high157 Ų15740.3 Ų40.368%0.68323%0.231SC*.THydrogen-bonded Turntrans-85.7-1.7175.5-61.8-174.8179.4-179.30114.2N352 R356N352-K354 PolarHBondContact O-N 3.32Å; N352-K354 VanDerWaalsContact O-N 3.08Å; N352-K354 WeakPolarHBondContact OD1-CB 3.5Å; N352-K354 PolarHBondContact OD1-N 2.71Å; K354-R356 PolarHBondContact O-N 3.47Å
355V95.1Very high92.1Very high12 Ų1239.2 Ų39.27%0.07322%0.22CC..  trans-57.2137.3-172.972.50000112V320 E321 L323 C350 N352V320-V355 HydrophobicContact CG1-CG2 4.42Å; V320-V355 WeakPolarHBondContact O-CG2 3.25Å; E321-V355 CarbonylContact O-C 3.49Å; E321-V355 WeakPolarHBondContact O-CA 3.39Å; L323-V355 HydrophobicContact CB-CG2 4.48Å; C350-V355 HydrophobicContact CB-CG2 4.29Å; N352-V355 VanDerWaalsContact O-CB 3.32Å; N352-V355 WeakPolarHBondContact O-CB 3.32Å; N352-V355 VanDerWaalsContact O-CG1 3.3Å; N352-V355 WeakPolarHBondContact O-CG1 3.3Å; N352-V355 PolarHBondContact O-N 2.87Å
356R96.3Very high91.9Very high76 Ų7641.2 Ų41.229%0.28723%0.234SC..EExtended strand (participates in β ladder)trans-127.4147.1172.5-68.3-63.5-178.3-97.99.6111.8A210 E212 E321 W322 L323 K354A210-R356 HydrophobicContact CB-CG 4.3Å; A210-R356 WeakPolarHBondContact O-CD 3.42Å; A210-R356 PolarHBondContact O-NE 3.38Å; E212-R356 WeakPolarHBondContact OE1-CA 3.45Å; E321-R356 PolarHBondContact O-N 2.87Å; W322-R356 CarbonylContact C-O 3.55Å; W322-R356 WeakPolarHBondContact CA-O 3.46Å; W322-R356 HydrophobicContact CD2-CB 3.92Å; W322-R356 HydrophobicContact CE3-CB 3.74Å; W322-R356 HydrophobicContact CH2-CB 3.58Å; W322-R356 HydrophobicContact CH2-CG 4.41Å; W322-R356 HydrophobicContact CZ2-CB 3.76Å; W322-R356 HydrophobicContact CZ2-CG 4.35Å; W322-R356 HydrophobicContact CZ3-CB 3.56Å; L323-R356 PolarHBondContact N-O 3.14Å; K354-R356 PolarHBondContact O-N 3.47Å
357R96.4Very high91.6Very high58 Ų5844.9 Ų44.922%0.21925%0.251CS..EExtended strand (participates in β ladder)trans-124.3133-167.4-58.2153.3-170.1161.79.6111E212 L213 L323 F347 F359 N375 L376E212-R357 VanDerWaalsContact CA-O 3.28Å; E212-R357 WeakPolarHBondContact CA-O 3.48Å; E212-R357 WeakPolarHBondContact CB-O 3.47Å; E212-R357 VanDerWaalsContact OE1-CB 3.23Å; E212-R357 WeakPolarHBondContact OE1-CB 3.38Å; E212-R357 WeakPolarHBondContact OE1-CD 3.45Å; E212-R357 WeakPolarHBondContact OE1-CG 3.19Å; E212-R357 PolarHBondContact OE1-N 2.86Å; E212-R357 IonicContact OE1-NE 3.21Å; L213-R357 PolarHBondContact N-O 3.46Å; L323-R357 HydrophobicContact CB-CG 4.35Å; L323-R357 VanDerWaalsContact O-CA 3.26Å; L323-R357 WeakPolarHBondContact O-CA 3.36Å; F347-R357 HydrophobicContact CE2-CG 4.47Å; F347-R357 HydrophobicContact CZ-CG 4.09Å; R357-F359 HydrophobicContact CB-CE2 4.35Å; R357-N375 PolarHBondContact NH1-O 2.99Å; R357-L376 HydrophobicContact CB-CD2 3.52Å; R357-L376 HydrophobicContact CG-CD2 4.16Å
358A97.5Very high91.4Very high0 Ų043.6 Ų43.60%025%0.245CC..EExtended strand (participates in β ladder)trans-131.6124.5178.200000111.6M207 L213 W322 L323 V324 V325 F360M207-A358 HydrophobicContact CE-CB 4.15Å; M207-A358 HydrophobicContact SD-CB 4.04Å; L213-A358 HydrophobicContact CD2-CB 3.48Å; L213-A358 VanDerWaalsContact CD2-CB 3.48Å; L213-A358 HydrophobicContact CG-CB 4.25Å; W322-A358 HydrophobicContact CZ3-CB 4.14Å; L323-A358 PolarHBondContact O-N 2.86Å; V324-A358 CarbonylContact C-O 3.09Å; V324-A358 WeakPolarHBondContact CA-O 3.3Å; V324-A358 HydrophobicContact CG2-CB 4.43Å; V325-A358 PolarHBondContact N-O 2.86Å; A358-F360 HydrophobicContact CB-CD2 4.28Å; A358-F360 HydrophobicContact CB-CE2 3.73Å
359F97.5Very high91.4Very high0 Ų037.4 Ų37.40%021%0.212CC..EExtended strand (participates in β ladder)trans-105.6114.2-178.1-79.4-110.3000109.2L213 L214 A215 V325 F332 L343 F347 R357 W371 L376L213-F359 PolarHBondContact O-N 2.91Å; L214-F359 CarbonylContact C-O 3.37Å; L214-F359 WeakPolarHBondContact CA-O 3.41Å; L214-F359 HydrophobicContact CD1-CB 3.81Å; A215-F359 PolarHBondContact N-O 3.35Å; V325-F359 HydrophobicContact CB-CD1 3.91Å; V325-F359 HydrophobicContact CB-CE1 3.84Å; V325-F359 HydrophobicContact CB-CE2 4.44Å; V325-F359 HydrophobicContact CB-CG 4.25Å; V325-F359 HydrophobicContact CB-CZ 4.09Å; V325-F359 HydrophobicContact CG1-CD1 4.12Å; V325-F359 HydrophobicContact CG1-CE1 3.93Å; V325-F359 HydrophobicContact CG2-CD1 4.37Å; V325-F359 HydrophobicContact CG2-CE1 3.85Å; V325-F359 HydrophobicContact CG2-CE2 4Å; V325-F359 HydrophobicContact CG2-CZ 3.61Å; F332-F359 HydrophobicContact CE2-CE1 4.44Å; L343-F359 HydrophobicContact CD2-CE1 4.04Å; L343-F359 HydrophobicContact CD2-CZ 3.95Å; F347-F359 HydrophobicContact CE1-CZ 4.45Å; F347-F359 HydrophobicContact CZ-CE2 4.16Å; F347-F359 HydrophobicContact CZ-CZ 4.05Å; R357-F359 HydrophobicContact CB-CE2 4.35Å; F359-W371 HydrophobicContact CE1-CE3 4.1Å; F359-W371 AromaticContact CE1-CZ3 3.78Å; F359-W371 HydrophobicContact CE1-CZ3 3.78Å; F359-W371 HydrophobicContact CE2-CZ3 4.11Å; F359-W371 HydrophobicContact CZ-CE3 4.15Å; F359-W371 HydrophobicContact CZ-CH2 4.11Å; F359-W371 AromaticContact CZ-CZ3 3.37Å; F359-W371 HydrophobicContact CZ-CZ3 3.37Å; F359-L376 HydrophobicContact CD2-CD1 3.77Å; F359-L376 HydrophobicContact CD2-CD2 4.3Å; F359-L376 HydrophobicContact CE2-CD1 4.13Å; F359-L376 HydrophobicContact CE2-CD2 3.93Å
360F96.4Very high91.3Very high0 Ų042.9 Ų42.90%023%0.232CC..EExtended strand (participates in β ladder)trans-102.9136.6175.8-75.2-97.5000109.7A203 M207 A215 K223 A226 F227 V324 V325 E327 S328 A358A203-F360 HydrophobicContact CB-CE1 4.23Å; A203-F360 HydrophobicContact CB-CZ 4.24Å; M207-F360 HydrophobicContact SD-CE2 4Å; M207-F360 HydrophobicContact SD-CZ 3.98Å; A215-F360 HydrophobicContact CB-CD1 3.4Å; A215-F360 HydrophobicContact CB-CD2 4.36Å; A215-F360 HydrophobicContact CB-CE1 3.35Å; A215-F360 HydrophobicContact CB-CE2 4.31Å; A215-F360 HydrophobicContact CB-CG 3.94Å; A215-F360 HydrophobicContact CB-CZ 3.84Å; A215-F360 WeakPolarHBondContact O-CA 3.42Å; K223-F360 HydrophobicContact CB-CD1 3.93Å; K223-F360 HydrophobicContact CD-CB 4.26Å; K223-F360 HydrophobicContact CD-CD1 4.09Å; K223-F360 HydrophobicContact CG-CD1 4.14Å; A226-F360 HydrophobicContact CB-CE1 3.96Å; A226-F360 HydrophobicContact CB-CZ 4.48Å; F227-F360 HydrophobicContact CB-CD2 4.22Å; F227-F360 HydrophobicContact CB-CE2 3.59Å; F227-F360 HydrophobicContact CB-CZ 3.81Å; F227-F360 HydrophobicContact CD1-CB 4.45Å; F227-F360 HydrophobicContact CD1-CD1 4.11Å; F227-F360 AromaticContact CD1-CD2 3.67Å; F227-F360 HydrophobicContact CD1-CD2 3.67Å; F227-F360 HydrophobicContact CD1-CE1 4.3Å; F227-F360 AromaticContact CD1-CE2 3.88Å; F227-F360 HydrophobicContact CD1-CE2 3.88Å; F227-F360 AromaticContact CD1-CG 3.8Å; F227-F360 HydrophobicContact CD1-CG 3.8Å; F227-F360 HydrophobicContact CD1-CZ 4.19Å; F227-F360 HydrophobicContact CE1-CD2 4.48Å; F227-F360 HydrophobicContact CE1-CG 4.36Å; F227-F360 HydrophobicContact CG-CD2 4.36Å; F227-F360 HydrophobicContact CG-CE2 4.21Å; V324-F360 HydrophobicContact CG1-CD2 3.94Å; V324-F360 HydrophobicContact CG1-CE2 4.34Å; V325-F360 PolarHBondContact O-N 3.27Å; E327-F360 PolarHBondContact N-O 3.22Å; S328-F360 WeakPolarHBondContact CB-O 3.49Å; S328-F360 PolarHBondContact N-O 3.25Å; S328-F360 PolarHBondContact OG-O 2.94Å; A358-F360 HydrophobicContact CB-CD2 4.28Å; A358-F360 HydrophobicContact CB-CE2 3.73Å
361S92.5Very high91.2Very high0 Ų044 Ų440%024%0.235CC..EExtended strand (participates in β ladder)trans-142.3150.5-176.5-165.60000111.6A215 A217 K223 S328 D329 T363A215-S361 PolarHBondContact O-N 2.86Å; A217-S361 PolarHBondContact N-O 3.32Å; A217-S361 VanDerWaalsContact N-O 3.09Å; K223-S361 VanDerWaalsContact CD-O 3.3Å; K223-S361 WeakPolarHBondContact CD-O 3.28Å; K223-S361 VanDerWaalsContact CE-O 3.28Å; K223-S361 WeakPolarHBondContact CE-O 3.34Å; K223-S361 PolarHBondContact NZ-O 2.81Å; S328-S361 WeakPolarHBondContact OG-CB 3.24Å; D329-S361 VanDerWaalsContact CB-OG 3.27Å; D329-S361 WeakPolarHBondContact CB-OG 3.33Å; D329-S361 VanDerWaalsContact CG-OG 3.26Å; D329-S361 PolarHBondContact N-OG 2.91Å; D329-S361 PolarHBondContact OD2-OG 2.81Å; S361-T363 WeakPolarHBondContact CB-O 3.49Å; S361-T363 PolarHBondContact OG-N 3.1Å; S361-T363 PolarHBondContact OG-O 3.22Å
362A86.4Confident91.2Very high7 Ų740 Ų406%0.05821%0.207CC..SBendtrans-82.1-25.6166.700000112.3A217 H506A217-A362 WeakPolarHBondContact O-CA 3.39Å; A362-H506 WeakPolarHBondContact CB-NE2 3.43Å
363T83.7Confident91.2Very high1 Ų144.8 Ų44.81%0.00622%0.222CC..SBendtrans-134.1140.4179.163.60000112.3D329 S361 T365 N388 V502 I505D329-T363 WeakPolarHBondContact CB-OG1 3.36Å; D329-T363 WeakPolarHBondContact OD2-CB 3.43Å; D329-T363 PolarHBondContact OD2-N 3.39Å; D329-T363 PolarHBondContact OD2-OG1 3.11Å; S361-T363 WeakPolarHBondContact CB-O 3.49Å; S361-T363 PolarHBondContact OG-N 3.1Å; S361-T363 PolarHBondContact OG-O 3.22Å; T363-T365 PolarHBondContact O-N 2.87Å; T363-T365 VanDerWaalsContact O-N 3.15Å; T363-T365 WeakPolarHBondContact OG1-CG2 3.39Å; T363-N388 WeakPolarHBondContact CA-OD1 3.44Å; T363-N388 VanDerWaalsContact CB-OD1 3.27Å; T363-N388 WeakPolarHBondContact CB-OD1 3.49Å; T363-V502 HydrophobicContact CG2-CB 4.38Å; T363-V502 HydrophobicContact CG2-CG1 4Å; T363-V502 HydrophobicContact CG2-CG2 4.17Å; T363-V502 WeakPolarHBondContact OG1-CG1 3.46Å; T363-I505 HydrophobicContact CG2-CD1 3.94Å; T363-I505 HydrophobicContact CG2-CG2 4.47Å
364C84.5Confident91.3Very high6 Ų645.8 Ų45.84%0.04121%0.213CC..  trans-8483.4173.5-165.10000108.9C216 N383 R387 N388C216-C364 HydrophobicContact CB-CB 4Å; C364-N383 WeakPolarHBondContact CB-OD1 3.45Å; C364-N383 PolarHBondContact SG-OD1 3.22Å; C364-R387 HydrophobicContact CB-CG 4.43Å; C364-N388 PolarHBondContact N-OD1 2.84Å; C364-N388 PolarHBondContact O-ND2 2.97Å; C364-N388 PolarHBondContact O-OD1 3.42Å
365T86.1Confident91.4Very high24 Ų2441.3 Ų41.315%0.14720%0.196CC..  trans-82.2138.9175.276.20000110.1D329 T363 E367 V368 E369 V502D329-T365 HydrophobicContact CB-CG2 4.05Å; T363-T365 PolarHBondContact O-N 2.87Å; T363-T365 VanDerWaalsContact O-N 3.15Å; T363-T365 WeakPolarHBondContact OG1-CG2 3.39Å; T365-E367 PolarHBondContact O-N 2.73Å; T365-V368 PolarHBondContact O-N 2.84Å; T365-V368 WeakPolarHBondContact OG1-CG2 3.28Å; T365-V368 PolarHBondContact OG1-N 2.89Å; T365-E369 WeakPolarHBondContact O-CB 3.4Å; T365-E369 PolarHBondContact O-N 2.93Å; T365-V502 HydrophobicContact CG2-CG2 4.19Å
366P87Confident91.3Very high97 Ų9741.6 Ų41.663%0.6320%0.197SC*.Hα-helixtrans-60.1-20.1175.4-25.234.7000113.6K370P366-K370 WeakPolarHBondContact O-CB 3.17Å; P366-K370 PolarHBondContact O-N 2.97Å
367E86.4Confident91Very high77 Ų7743.2 Ų43.236%0.3621%0.212SC..Hα-helixtrans-77.9-36.6-178.9-172.2154.9-17300112.7F332 R340 T365 W371F332-E367 HydrophobicContact CD1-CG 4.46Å; R340-E367 IonicContact CZ-OE1 2.69Å; R340-E367 VanDerWaalsContact CZ-OE1 3.23Å; R340-E367 IonicContact NH1-OE1 3.47Å; R340-E367 PolarHBondContact NH1-OE1 2.82Å; R340-E367 IonicContact NH2-OE1 3.82Å; R340-E367 PolarHBondContact NH2-OE1 2.89Å; T365-E367 PolarHBondContact O-N 2.73Å; E367-W371 PolarHBondContact O-N 3.09Å
368V89.2Confident90.8Very high2 Ų243.7 Ų43.71%0.01222%0.218CC..Hα-helixtrans-75.4-48.6168.1174.40000110L214 F332 T365 K370 W371 C372L214-V368 HydrophobicContact CD1-CG1 3.87Å; L214-V368 HydrophobicContact CD2-CG1 4.45Å; F332-V368 HydrophobicContact CB-CG2 3.95Å; F332-V368 HydrophobicContact CD1-CG2 4.27Å; F332-V368 HydrophobicContact CD2-CG2 3.91Å; F332-V368 HydrophobicContact CE2-CG2 4.45Å; F332-V368 HydrophobicContact CG-CG2 3.79Å; T365-V368 PolarHBondContact O-N 2.84Å; T365-V368 WeakPolarHBondContact OG1-CG2 3.28Å; T365-V368 PolarHBondContact OG1-N 2.89Å; V368-K370 VanDerWaalsContact C-N 3.32Å; V368-K370 PolarHBondContact O-N 3.36Å; V368-W371 PolarHBondContact O-N 3.03Å; V368-C372 PolarHBondContact O-N 2.82Å; V368-C372 PolarHBondContact O-SG 2.75Å; V368-C372 VanDerWaalsContact O-SG 3.34Å
369E91.4Very high90.7Very high14 Ų1444.9 Ų44.97%0.06523%0.225CC..Hα-helixtrans-56.7-42-177.6-164.3-172174.700112.3L214 T365 R373 R387L214-E369 HydrophobicContact CD2-CB 4.17Å; L214-E369 HydrophobicContact CD2-CG 4.18Å; T365-E369 WeakPolarHBondContact O-CB 3.4Å; T365-E369 PolarHBondContact O-N 2.93Å; E369-R373 VanDerWaalsContact CD-NH1 3.28Å; E369-R373 WeakPolarHBondContact O-CG 3.36Å; E369-R373 PolarHBondContact O-N 2.85Å; E369-R373 IonicContact OE1-CZ 3.38Å; E369-R373 VanDerWaalsContact OE1-CZ 3.26Å; E369-R373 IonicContact OE1-NH1 3.65Å; E369-R373 PolarHBondContact OE1-NH1 2.94Å; E369-R373 IonicContact OE1-NH2 3.61Å; E369-R373 PolarHBondContact OE1-NH2 3.09Å; E369-R387 VanDerWaalsContact CD-NH1 3.32Å; E369-R387 IonicContact OE1-CZ 2.78Å; E369-R387 IonicContact OE1-NH1 2.8Å; E369-R387 PolarHBondContact OE1-NH1 3.23Å; E369-R387 IonicContact OE1-NH2 3.91Å; E369-R387 PolarHBondContact OE1-NH2 2.7Å; E369-R387 IonicContact OE2-CZ 3.39Å; E369-R387 IonicContact OE2-NH1 3.97Å; E369-R387 PolarHBondContact OE2-NH1 3.42Å; E369-R387 IonicContact OE2-NH2 3.79Å
370K91.6Very high90.7Very high142 Ų14244.9 Ų44.962%0.61723%0.225SC*.Hα-helixtrans-69.5-35.9173.8179.5166.4-177.81660113P366 V368 L374P366-K370 WeakPolarHBondContact O-CB 3.17Å; P366-K370 PolarHBondContact O-N 2.97Å; V368-K370 VanDerWaalsContact C-N 3.32Å; V368-K370 PolarHBondContact O-N 3.36Å; K370-L374 HydrophobicContact CG-CD1 3.97Å; K370-L374 WeakPolarHBondContact O-CD1 3.45Å; K370-L374 WeakPolarHBondContact O-CG 3.38Å; K370-L374 PolarHBondContact O-N 2.82Å
371W91.1Very high90.7Very high27 Ų2745.1 Ų45.110%0.10223%0.227CC..Hα-helixtrans-69.6-44.9179.1-170.790.5000110.9F332 L343 F347 F359 E367 V368 R373 L374 N375F332-W371 HydrophobicContact CE1-CB 3.66Å; F332-W371 AromaticContact CE1-CD1 3.93Å; F332-W371 HydrophobicContact CE1-CD2 4.02Å; F332-W371 AromaticContact CE1-CG 3.54Å; F332-W371 HydrophobicContact CE1-CG 3.54Å; F332-W371 HydrophobicContact CZ-CB 4.09Å; F332-W371 AromaticContact CZ-CD2 3.7Å; F332-W371 HydrophobicContact CZ-CD2 3.7Å; F332-W371 AromaticContact CZ-CE3 3.98Å; F332-W371 HydrophobicContact CZ-CE3 3.98Å; F332-W371 AromaticContact CZ-CG 3.75Å; F332-W371 HydrophobicContact CZ-CG 3.75Å; L343-W371 HydrophobicContact CD2-CE3 4.39Å; L343-W371 HydrophobicContact CD2-CH2 3.35Å; L343-W371 HydrophobicContact CD2-CZ2 3.61Å; L343-W371 HydrophobicContact CD2-CZ3 3.79Å; L343-W371 HydrophobicContact CG-CH2 3.91Å; L343-W371 HydrophobicContact CG-CZ2 4.13Å; F347-W371 HydrophobicContact CD2-CH2 4.42Å; F347-W371 HydrophobicContact CE1-CH2 4.3Å; F347-W371 AromaticContact CE2-CH2 3.63Å; F347-W371 HydrophobicContact CE2-CH2 3.63Å; F347-W371 HydrophobicContact CE2-CZ3 4.31Å; F347-W371 AromaticContact CZ-CH2 3.57Å; F347-W371 HydrophobicContact CZ-CH2 3.57Å; F347-W371 HydrophobicContact CZ-CZ3 4.05Å; F359-W371 HydrophobicContact CE1-CE3 4.1Å; F359-W371 AromaticContact CE1-CZ3 3.78Å; F359-W371 HydrophobicContact CE1-CZ3 3.78Å; F359-W371 HydrophobicContact CE2-CZ3 4.11Å; F359-W371 HydrophobicContact CZ-CE3 4.15Å; F359-W371 HydrophobicContact CZ-CH2 4.11Å; F359-W371 AromaticContact CZ-CZ3 3.37Å; F359-W371 HydrophobicContact CZ-CZ3 3.37Å; E367-W371 PolarHBondContact O-N 3.09Å; V368-W371 PolarHBondContact O-N 3.03Å; W371-R373 PolarHBondContact O-N 3Å; W371-L374 PolarHBondContact O-N 3.37Å; W371-N375 HydrophobicContact CD2-CB 4.26Å; W371-N375 HydrophobicContact CE3-CB 4.08Å; W371-N375 HydrophobicContact CH2-CB 3.58Å; W371-N375 HydrophobicContact CZ2-CB 3.8Å; W371-N375 HydrophobicContact CZ3-CB 3.72Å; W371-N375 PolarHBondContact O-N 2.84Å; W371-N375 PolarHBondContact O-ND2 2.94Å
372C93.4Very high90.8Very high0 Ų045.1 Ų45.10%023%0.227CC..Hα-helixtrans-53.2-51.7173.9-69.10000111.3L214 V368 L374 N375 L376 L379L214-C372 HydrophobicContact CD2-CB 4.28Å; V368-C372 PolarHBondContact O-N 2.82Å; V368-C372 PolarHBondContact O-SG 2.75Å; V368-C372 VanDerWaalsContact O-SG 3.34Å; C372-L374 PolarHBondContact O-N 3.07Å; C372-N375 PolarHBondContact O-N 3.47Å; C372-N375 VanDerWaalsContact O-N 3.15Å; C372-L376 HydrophobicContact CB-CD1 3.71Å; C372-L376 HydrophobicContact CB-CG 4.47Å; C372-L376 VanDerWaalsContact O-CB 3.3Å; C372-L376 WeakPolarHBondContact O-CB 3.49Å; C372-L376 WeakPolarHBondContact O-CG 3.16Å; C372-L376 PolarHBondContact O-N 2.9Å; C372-L379 HydrophobicContact CB-CD2 3.64Å
373R93.4Very high91.2Very high137 Ų13745.1 Ų45.152%0.51723%0.226SC..Hα-helixtrans-59.6-14.1177.5-76.8-175.9-179.9116.314.8115.7E369 W371 L379E369-R373 VanDerWaalsContact CD-NH1 3.28Å; E369-R373 WeakPolarHBondContact O-CG 3.36Å; E369-R373 PolarHBondContact O-N 2.85Å; E369-R373 IonicContact OE1-CZ 3.38Å; E369-R373 VanDerWaalsContact OE1-CZ 3.26Å; E369-R373 IonicContact OE1-NH1 3.65Å; E369-R373 PolarHBondContact OE1-NH1 2.94Å; E369-R373 IonicContact OE1-NH2 3.61Å; E369-R373 PolarHBondContact OE1-NH2 3.09Å; W371-R373 PolarHBondContact O-N 3Å; R373-L379 HydrophobicContact CB-CD2 4.49Å; R373-L379 HydrophobicContact CG-CD2 3.88Å
374L92.1Very high91.6Very high125 Ų12546.4 Ų46.465%0.65423%0.232SC*.Hα-helixtrans-108.6-7-178.4-69.1172000113.4K370 W371 C372K370-L374 HydrophobicContact CG-CD1 3.97Å; K370-L374 WeakPolarHBondContact O-CD1 3.45Å; K370-L374 WeakPolarHBondContact O-CG 3.38Å; K370-L374 PolarHBondContact O-N 2.82Å; W371-L374 PolarHBondContact O-N 3.37Å; C372-L374 PolarHBondContact O-N 3.07Å
375N91.2Very high91.6Very high62 Ų6246.8 Ų46.833%0.33224%0.237SC..Hα-helixtrans-137.62.1-171.2-62.6-97.8000113.4F347 R357 W371 C372F347-N375 HydrophobicContact CE2-CB 4.49Å; R357-N375 PolarHBondContact NH1-O 2.99Å; W371-N375 HydrophobicContact CD2-CB 4.26Å; W371-N375 HydrophobicContact CE3-CB 4.08Å; W371-N375 HydrophobicContact CH2-CB 3.58Å; W371-N375 HydrophobicContact CZ2-CB 3.8Å; W371-N375 HydrophobicContact CZ3-CB 3.72Å; W371-N375 PolarHBondContact O-N 2.84Å; W371-N375 PolarHBondContact O-ND2 2.94Å; C372-N375 PolarHBondContact O-N 3.47Å; C372-N375 VanDerWaalsContact O-N 3.15Å
376L92.7Very high91.1Very high19 Ų1952 Ų5210%0.09926%0.259CS..SBendtrans-125.7141.7-178.9-58.5179.5000110.6E212 R357 F359 C372 L379E212-L376 HydrophobicContact CB-CB 4.27Å; E212-L376 WeakPolarHBondContact OE2-CA 3.35Å; E212-L376 WeakPolarHBondContact OE2-CB 3.26Å; E212-L376 WeakPolarHBondContact OE2-CD2 3.41Å; R357-L376 HydrophobicContact CB-CD2 3.52Å; R357-L376 HydrophobicContact CG-CD2 4.16Å; F359-L376 HydrophobicContact CD2-CD1 3.77Å; F359-L376 HydrophobicContact CD2-CD2 4.3Å; F359-L376 HydrophobicContact CE2-CD1 4.13Å; F359-L376 HydrophobicContact CE2-CD2 3.93Å; C372-L376 HydrophobicContact CB-CD1 3.71Å; C372-L376 HydrophobicContact CB-CG 4.47Å; C372-L376 VanDerWaalsContact O-CB 3.3Å; C372-L376 WeakPolarHBondContact O-CB 3.49Å; C372-L376 WeakPolarHBondContact O-CG 3.16Å; C372-L376 PolarHBondContact O-N 2.9Å; L376-L379 HydrophobicContact CB-CB 4.38Å; L376-L379 HydrophobicContact CB-CD1 4.2Å; L376-L379 HydrophobicContact CD1-CD1 3.67Å
377D90Very high90.3Very high109 Ų10952.3 Ų52.358%0.58325%0.248SC*.SBendtrans-87.3141.9-179.4-177.431.6000112.3E212 L379E212-D377 PolarHBondContact OE2-N 2.92Å; D377-L379 PolarHBondContact O-N 2.76Å
378N91.9Very high89.4Confident68 Ų6851.1 Ų51.136%0.36424%0.244SC..SBendtrans31.851.9-176.6-167.10.4000113.6D163 R211 V380D163-N378 PolarHBondContact OD2-ND2 2.93Å; D163-N378 VanDerWaalsContact OD2-ND2 3.16Å; R211-N378 PolarHBondContact NH2-ND2 3.35Å; R211-N378 PolarHBondContact NH2-O 2.84Å; R211-N378 PolarHBondContact NH2-OD1 3.45Å; N378-V380 PolarHBondContact O-N 2.93Å
379L96Very high88.4Confident26 Ų2651.8 Ų51.814%0.13625%0.248CC..PPolyproline II helixtrans-60.4122.5-166.2173.762.6000113.7L214 C372 R373 L376 D377L214-L379 HydrophobicContact CB-CD1 4.23Å; C372-L379 HydrophobicContact CB-CD2 3.64Å; R373-L379 HydrophobicContact CB-CD2 4.49Å; R373-L379 HydrophobicContact CG-CD2 3.88Å; L376-L379 HydrophobicContact CB-CB 4.38Å; L376-L379 HydrophobicContact CB-CD1 4.2Å; L376-L379 HydrophobicContact CD1-CD1 3.67Å; D377-L379 PolarHBondContact O-N 2.76Å
380V97.3Very high87.4Confident0 Ų051.5 Ų51.50%025%0.248CC..EExtended strand (participates in β ladder)trans-94.1125.9167.2-1720000111V159 H160 V164 L206 E212 L213 L214 N378 V382V159-V380 HydrophobicContact CG1-CG1 3.46Å; V159-V380 VanDerWaalsContact CG1-CG1 3.46Å; H160-V380 CarbonylContact O-C 3.51Å; H160-V380 WeakPolarHBondContact O-CA 3.47Å; V164-V380 HydrophobicContact CG2-CG1 4.04Å; V164-V380 HydrophobicContact CG2-CG2 4.44Å; L206-V380 HydrophobicContact CD1-CB 4.17Å; L206-V380 HydrophobicContact CD1-CG1 3.7Å; L206-V380 HydrophobicContact CD2-CB 3.87Å; L206-V380 HydrophobicContact CD2-CG1 3.86Å; L206-V380 HydrophobicContact CD2-CG2 3.68Å; L206-V380 HydrophobicContact CG-CG1 4.47Å; E212-V380 PolarHBondContact O-N 3.23Å; L213-V380 CarbonylContact C-O 3.57Å; L213-V380 WeakPolarHBondContact CA-O 3.41Å; L213-V380 WeakPolarHBondContact CB-O 3.44Å; L214-V380 PolarHBondContact N-O 3.19Å; N378-V380 PolarHBondContact O-N 2.93Å; V380-V382 HydrophobicContact CG1-CG2 4.34Å
381S96.2Very high86.5Confident5 Ų546.3 Ų46.34%0.03523%0.228CC..EExtended strand (participates in β ladder)trans-102.5116.6174.3-590000110.5V159 H160 L214V159-S381 CarbonylContact C-O 3.56Å; V159-S381 WeakPolarHBondContact CA-O 3.42Å; H160-S381 PolarHBondContact N-O 3.31Å; H160-S381 PolarHBondContact O-N 3.4Å; L214-S381 WeakPolarHBondContact O-CA 3.24Å
382V96Very high85.8Confident0 Ų050.3 Ų50.30%025%0.248CC..EExtended strand (participates in β ladder)trans-107.3125.2175.4-177.80000109.1I157 V159 I199 Q202 L206 L214 C216 V380 I384I157-V382 HydrophobicContact CG2-CG1 4.15Å; V159-V382 HydrophobicContact CG1-CG2 4.14Å; I199-V382 HydrophobicContact CD1-CB 4.41Å; I199-V382 HydrophobicContact CD1-CG1 3.82Å; Q202-V382 HydrophobicContact CB-CG1 4.29Å; Q202-V382 HydrophobicContact CG-CG1 4.21Å; Q202-V382 HydrophobicContact CG-CG2 3.98Å; L206-V382 HydrophobicContact CD1-CG2 3.44Å; L206-V382 VanDerWaalsContact CD1-CG2 3.44Å; L214-V382 PolarHBondContact O-N 2.83Å; C216-V382 PolarHBondContact N-O 2.89Å; V380-V382 HydrophobicContact CG1-CG2 4.34Å; V382-I384 HydrophobicContact CG1-CD1 4.11Å
383N94.1Very high85.3Confident7 Ų751.6 Ų51.64%0.03726%0.256CS..EExtended strand (participates in β ladder)trans-126.4121.5177.1-59.2-96.7000109.6N158 C216 C364N158-N383 HydrophobicContact CB-CB 4.3Å; N158-N383 WeakPolarHBondContact CB-O 3.42Å; N158-N383 PolarHBondContact N-O 2.92Å; N158-N383 PolarHBondContact O-N 2.9Å; C216-N383 WeakPolarHBondContact CB-OD1 3.29Å; C216-N383 WeakPolarHBondContact O-CA 2.99Å; C364-N383 WeakPolarHBondContact CB-OD1 3.45Å; C364-N383 PolarHBondContact SG-OD1 3.22Å
384I91.3Very high85.1Confident28 Ų2845.1 Ų45.114%0.14423%0.232CC..EExtended strand (participates in β ladder)trans-93.3124.8176.8-54.3-53.3000110.2I157 P198 I199 C216 A217 V382I157-I384 HydrophobicContact CB-CD1 4.15Å; I157-I384 HydrophobicContact CG1-CD1 3.94Å; I157-I384 HydrophobicContact CG2-CD1 3.93Å; P198-I384 HydrophobicContact CB-CD1 4.05Å; P198-I384 HydrophobicContact CB-CG1 4.44Å; P198-I384 HydrophobicContact CB-CG2 3.88Å; P198-I384 WeakPolarHBondContact O-CD1 3.45Å; I199-I384 HydrophobicContact CB-CD1 4.45Å; I199-I384 HydrophobicContact CB-CG1 3.86Å; I199-I384 HydrophobicContact CD1-CD1 4.32Å; I199-I384 HydrophobicContact CD1-CG1 3.94Å; I199-I384 HydrophobicContact CG1-CG1 4.43Å; C216-I384 PolarHBondContact O-N 2.9Å; A217-I384 HydrophobicContact CB-CB 3.94Å; A217-I384 HydrophobicContact CB-CG1 3.77Å; V382-I384 HydrophobicContact CG1-CD1 4.11Å
385G85.3Confident85.1Confident14 Ų1444 Ų4414%0.14422%0.223CC..SBendtrans69.1-157.3-174.700000112.6R156 N158R156-G385 PolarHBondContact O-N 2.85Å; N158-G385 PolarHBondContact ND2-O 2.91Å; N158-G385 VanDerWaalsContact ND2-O 3.14Å
386H76.1Confident85.2Confident132 Ų13241.4 Ų41.461%0.61121%0.209SC*.SBendtrans-77.1146.2176.1-69.3-61.2000111.9N388 T389H386-N388 PolarHBondContact O-N 3.17Å; H386-N388 VanDerWaalsContact O-N 3.12Å; H386-T389 VanDerWaalsContact CB-OG1 3.25Å; H386-T389 WeakPolarHBondContact CB-OG1 3.45Å; H386-T389 PolarHBondContact O-N 3.34Å; H386-T389 PolarHBondContact O-OG1 2.9Å
387R70.3Confident85.2Confident105 Ų10543.4 Ų43.440%0.39622%0.218SC..THydrogen-bonded Turntrans-60.9115.9-179-75.6178.7170.1-1265.8110.6C364 E369C364-R387 HydrophobicContact CB-CG 4.43Å; E369-R387 VanDerWaalsContact CD-NH1 3.32Å; E369-R387 IonicContact OE1-CZ 2.78Å; E369-R387 IonicContact OE1-NH1 2.8Å; E369-R387 PolarHBondContact OE1-NH1 3.23Å; E369-R387 IonicContact OE1-NH2 3.91Å; E369-R387 PolarHBondContact OE1-NH2 2.7Å; E369-R387 IonicContact OE2-CZ 3.39Å; E369-R387 IonicContact OE2-NH1 3.97Å; E369-R387 PolarHBondContact OE2-NH1 3.42Å; E369-R387 IonicContact OE2-NH2 3.79Å
388N66.3Low85.4Confident51 Ų5139.9 Ų39.927%0.27320%0.199SC..THydrogen-bonded Turntrans70.333174.8-48.3-38.5000114.9T363 C364 H386 I505T363-N388 WeakPolarHBondContact CA-OD1 3.44Å; T363-N388 VanDerWaalsContact CB-OD1 3.27Å; T363-N388 WeakPolarHBondContact CB-OD1 3.49Å; C364-N388 PolarHBondContact N-OD1 2.84Å; C364-N388 PolarHBondContact O-ND2 2.97Å; C364-N388 PolarHBondContact O-OD1 3.42Å; H386-N388 PolarHBondContact O-N 3.17Å; H386-N388 VanDerWaalsContact O-N 3.12Å; N388-I505 HydrophobicContact CB-CD1 4.47Å; N388-I505 WeakPolarHBondContact O-CD1 3.45Å
389T69.8Low85.6Confident17 Ų1739.4 Ų39.410%0.10420%0.196CC..  trans-89.9157.4172.8-53.40000111.4H386 Q541 A542H386-T389 VanDerWaalsContact CB-OG1 3.25Å; H386-T389 WeakPolarHBondContact CB-OG1 3.45Å; H386-T389 PolarHBondContact O-N 3.34Å; H386-T389 PolarHBondContact O-OG1 2.9Å; T389-Q541 HydrophobicContact CG2-CB 3.76Å; T389-Q541 WeakPolarHBondContact CG2-O 3.27Å; T389-Q541 PolarHBondContact OG1-OE1 3.38Å; T389-Q541 VanDerWaalsContact OG1-OE1 3.07Å; T389-A542 HydrophobicContact CG2-CB 4.12Å
390A70.1Confident85.5Confident7 Ų742.9 Ų42.96%0.05821%0.21CC..  trans-72.2178.4173.700000112.3I508 V538 A542A390-I508 HydrophobicContact CB-CD1 3.63Å; A390-V538 HydrophobicContact CB-CG1 4Å; A390-A542 HydrophobicContact CB-CB 3.98Å
391V71.7Confident85.4Confident34 Ų3443.9 Ų43.921%0.20622%0.216CC..  trans-78.2131.2166.9-165.80000108.3P218 T219 T393 V394P218-V391 HydrophobicContact CB-CG2 4.01Å; P218-V391 HydrophobicContact CG-CG2 4.48Å; T219-V391 WeakPolarHBondContact O-CG2 3.46Å; V391-T393 WeakPolarHBondContact CG1-OG1 3.43Å; V391-T393 PolarHBondContact O-N 3.28Å; V391-V394 HydrophobicContact CB-CG2 4.32Å; V391-V394 PolarHBondContact O-N 3.24Å
392E76.5Confident85.2Confident110 Ų11044.7 Ų44.751%0.51423%0.225SC..THydrogen-bonded Turntrans-68-16.5-177.2-64.5174.912900113.4R156 V394R156-E392 IonicContact CZ-OE1 3.94Å; R156-E392 IonicContact CZ-OE2 3.3Å; R156-E392 IonicContact NH1-OE1 2.97Å; R156-E392 PolarHBondContact NH1-OE1 3.49Å; R156-E392 IonicContact NH1-OE2 2.81Å; R156-E392 PolarHBondContact NH1-OE2 3.46Å; R156-E392 IonicContact NH2-OE1 2.68Å; R156-E392 PolarHBondContact NH2-OE1 2.98Å; R156-E392 IonicContact NH2-OE2 2.79Å; E392-V394 PolarHBondContact O-N 2.9Å
393T83.3Confident85.1Confident28 Ų2850.9 Ų50.917%0.17225%0.254CS..THydrogen-bonded Turntrans-79.813.8173.157.30000113.8V391 G512 H516 Q517 G518V391-T393 WeakPolarHBondContact CG1-OG1 3.43Å; V391-T393 PolarHBondContact O-N 3.28Å; T393-G512 PolarHBondContact OG1-O 2.84Å; T393-H516 WeakPolarHBondContact CB-O 3.27Å; T393-Q517 CarbonylContact O-C 3.57Å; T393-Q517 WeakPolarHBondContact O-CA 3.44Å; T393-Q517 PolarHBondContact O-OE1 3.14Å; T393-G518 PolarHBondContact O-N 2.99Å
394V88.8Confident84.9Confident1 Ų151.4 Ų51.41%0.00626%0.256CS..EExtended strand (participates in β ladder)trans-120.9108.1178.1-172.70000110.3V391 E392 Q396 I508 T511 G518 A520V391-V394 HydrophobicContact CB-CG2 4.32Å; V391-V394 PolarHBondContact O-N 3.24Å; E392-V394 PolarHBondContact O-N 2.9Å; V394-Q396 HydrophobicContact CG1-CG 4.15Å; V394-Q396 WeakPolarHBondContact O-CG 3.29Å; V394-Q396 PolarHBondContact O-N 3.02Å; V394-Q396 PolarHBondContact O-NE2 3.05Å; V394-I508 HydrophobicContact CG1-CB 4.41Å; V394-T511 HydrophobicContact CG1-CG2 3.8Å; V394-T511 HydrophobicContact CG2-CG2 4.07Å; V394-G518 CarbonylContact C-O 3.45Å; V394-G518 WeakPolarHBondContact CA-O 3.27Å; V394-A520 HydrophobicContact CG1-CB 3.61Å
395E91.9Very high84.8Confident102 Ų10255.1 Ų55.148%0.47728%0.277SS..EExtended strand (participates in β ladder)trans-62.7122.2168-169.1-156.7143.500109G518 K519 A520E395-G518 PolarHBondContact N-O 3.38Å; E395-K519 HydrophobicContact CB-CB 4.48Å; E395-K519 HydrophobicContact CB-CG 4.38Å; E395-K519 CarbonylContact O-C 3.58Å; E395-K519 WeakPolarHBondContact O-CA 3.42Å; E395-K519 WeakPolarHBondContact OE1-CE 3.48Å; E395-K519 IonicContact OE1-NZ 3.16Å; E395-K519 PolarHBondContact OE1-NZ 2.9Å; E395-K519 WeakPolarHBondContact OE2-CD 3.36Å; E395-K519 IonicContact OE2-NZ 3.29Å; E395-A520 PolarHBondContact O-N 3.13Å
396Q93.6Very high85.2Confident6 Ų655.5 Ų55.53%0.02828%0.28CS..EExtended strand (participates in β ladder)trans-119.4119.7-171.1-76.1155.286.700111.2V394 Y504 I508 A520 I539 C544V394-Q396 HydrophobicContact CG1-CG 4.15Å; V394-Q396 WeakPolarHBondContact O-CG 3.29Å; V394-Q396 PolarHBondContact O-N 3.02Å; V394-Q396 PolarHBondContact O-NE2 3.05Å; Q396-Y504 WeakPolarHBondContact CG-OH 3.5Å; Q396-Y504 PolarHBondContact OE1-OH 3.24Å; Q396-I508 HydrophobicContact CG-CD1 4.03Å; Q396-A520 HydrophobicContact CG-CB 4.29Å; Q396-I539 HydrophobicContact CB-CB 4.43Å; Q396-I539 HydrophobicContact CB-CD1 4.29Å; Q396-I539 HydrophobicContact CB-CG1 3.95Å; Q396-I539 HydrophobicContact CB-CG2 3.85Å; Q396-C544 HydrophobicContact CB-CB 4.2Å; Q396-C544 PolarHBondContact N-SG 2.8Å
397E93.3Very high86.1Confident62 Ų6249.2 Ų49.229%0.2925%0.251SS..EExtended strand (participates in β ladder)trans-119.6133.3-174.6-169.7-174136.100111.1K519 A520 I521 T522E397-K519 WeakPolarHBondContact OE2-CE 3.43Å; E397-K519 IonicContact OE2-NZ 2.82Å; E397-K519 PolarHBondContact OE2-NZ 3.07Å; E397-A520 PolarHBondContact N-O 3.37Å; E397-I521 HydrophobicContact CB-CG1 4.29Å; E397-I521 CarbonylContact O-C 3.48Å; E397-T522 PolarHBondContact O-N 3.36Å
398L94.4Very high87.3Confident34 Ų3444.8 Ų44.818%0.17824%0.235CC..EExtended strand (participates in β ladder)trans-109.1108.4172.9-81.9169.9000110F497 T522 F524 L532 I535 I539 M550L398-F497 HydrophobicContact CD2-CE2 3.8Å; L398-T522 HydrophobicContact CD2-CG2 3.77Å; L398-F524 HydrophobicContact CB-CD1 4.25Å; L398-F524 HydrophobicContact CB-CE1 3.99Å; L398-F524 HydrophobicContact CD2-CD1 4.13Å; L398-L532 HydrophobicContact CD1-CD1 4.17Å; L398-L532 HydrophobicContact CD2-CD1 4.17Å; L398-I535 HydrophobicContact CD2-CG2 4.41Å; L398-I539 HydrophobicContact CD1-CD1 3.57Å; L398-I539 HydrophobicContact CD2-CD1 4.34Å; L398-I539 HydrophobicContact CG-CD1 3.59Å; L398-M550 HydrophobicContact CB-CE 4Å; L398-M550 HydrophobicContact CD1-CE 3.69Å; L398-M550 HydrophobicContact CG-CE 4.42Å
399L94.9Very high88.6Confident58 Ų5846.2 Ų46.230%0.30425%0.245SC..EExtended strand (participates in β ladder)trans-101.7119.3179.7-173.468.5000110.5V401 A410 T522 F523 F524L399-V401 HydrophobicContact CD2-CG1 4.1Å; L399-V401 HydrophobicContact CG-CG1 4.09Å; L399-A410 HydrophobicContact CD2-CB 3.9Å; L399-T522 PolarHBondContact N-O 2.99Å; L399-F523 HydrophobicContact CB-CD1 4.14Å; L399-F523 HydrophobicContact CD2-CD1 3.98Å; L399-F523 HydrophobicContact CD2-CE1 3.7Å; L399-F523 WeakPolarHBondContact O-CA 3.21Å; L399-F524 VanDerWaalsContact O-CD1 3.27Å; L399-F524 WeakPolarHBondContact O-CD1 3.46Å; L399-F524 PolarHBondContact O-N 3.05Å
400F94.8Very high89.9Confident100 Ų10046 Ų4644%0.43925%0.245SC..EExtended strand (participates in β ladder)trans-77.1130.3170.2-176.1-126.3000109.7F524F400-F524 HydrophobicContact CB-CE1 3.86Å; F400-F524 HydrophobicContact CB-CE2 4.02Å; F400-F524 HydrophobicContact CB-CZ 3.56Å; F400-F524 AromaticContact CD2-CD2 3.83Å; F400-F524 HydrophobicContact CD2-CD2 3.83Å; F400-F524 AromaticContact CD2-CE2 3.51Å; F400-F524 HydrophobicContact CD2-CE2 3.51Å; F400-F524 AromaticContact CD2-CZ 3.99Å; F400-F524 HydrophobicContact CD2-CZ 3.99Å; F400-F524 WeakPolarHBondContact CD2-O 3.4Å; F400-F524 HydrophobicContact CE2-CE2 4.36Å; F400-F524 HydrophobicContact CG-CE2 4.11Å; F400-F524 HydrophobicContact CG-CZ 4.14Å
401V94.9Very high91.1Very high21 Ų2145.7 Ų45.713%0.12724%0.243CC..  trans-123.413.4-179.1-56.90000113.1L399 E403 K407 A410 F523 F524 T525L399-V401 HydrophobicContact CD2-CG1 4.1Å; L399-V401 HydrophobicContact CG-CG1 4.09Å; V401-E403 PolarHBondContact O-N 3.04Å; V401-K407 HydrophobicContact CG2-CB 4.46Å; V401-K407 HydrophobicContact CG2-CG 3.61Å; V401-A410 HydrophobicContact CG1-CB 3.76Å; V401-F523 HydrophobicContact CG1-CB 4.39Å; V401-F523 HydrophobicContact CG1-CD1 4.27Å; V401-F523 HydrophobicContact CG1-CG 4.24Å; V401-F523 HydrophobicContact CG2-CB 4.39Å; V401-F524 PolarHBondContact N-O 2.93Å; V401-F524 VanDerWaalsContact N-O 3.16Å; V401-T525 HydrophobicContact CG2-CG2 3.78Å
402G93.1Very high92.2Very high21 Ų2146.2 Ų46.222%0.21624%0.241CC..SBendtrans68.7-95.2-178.700000112.2T525 E526G402-T525 CarbonylContact O-C 3.58Å; G402-T525 VanDerWaalsContact O-CA 3.25Å; G402-T525 WeakPolarHBondContact O-CA 3.26Å; G402-T525 WeakPolarHBondContact O-CB 3.13Å; G402-E526 PolarHBondContact O-N 3.38Å
403E92.3Very high93.1Very high131 Ų13143.7 Ų43.761%0.61223%0.231SC*.SBendtrans-105.5173.1179.5-64.6-163.1158.600112.9V401 N405 G406 T525V401-E403 PolarHBondContact O-N 3.04Å; E403-N405 PolarHBondContact O-N 2.99Å; E403-G406 PolarHBondContact O-N 3.09Å; E403-T525 VanDerWaalsContact C-CG2 3.48Å
404E90.8Very high93.6Very high17 Ų1743.5 Ų43.58%0.07923%0.229CC..Hα-helixtrans-57.2-30.6178.1-68.3-62.1130.500114G406 K407 R432 T525 R571 S572E404-G406 VanDerWaalsContact C-N 3.3Å; E404-G406 PolarHBondContact O-N 3.02Å; E404-K407 WeakPolarHBondContact O-CB 3.21Å; E404-K407 PolarHBondContact O-N 3.33Å; E404-K407 IonicContact OE1-NZ 2.67Å; E404-K407 PolarHBondContact OE1-NZ 3.25Å; E404-K407 WeakPolarHBondContact OE2-CD 3.48Å; E404-K407 WeakPolarHBondContact OE2-CE 3.48Å; E404-K407 IonicContact OE2-NZ 3.77Å; E404-K407 PolarHBondContact OE2-NZ 3.49Å; E404-R432 IonicContact OE2-CZ 2.65Å; E404-R432 IonicContact OE2-NH2 2.7Å; E404-R432 PolarHBondContact OE2-NH2 3.08Å; E404-T525 PolarHBondContact OE1-OG1 3.41Å; E404-R571 VanDerWaalsContact CD-CD 3.5Å; E404-R571 WeakPolarHBondContact OE1-CD 3.22Å; E404-R571 IonicContact OE1-CZ 2.83Å; E404-R571 IonicContact OE1-NE 2.96Å; E404-R571 IonicContact OE1-NH1 2.74Å; E404-R571 PolarHBondContact OE1-NH1 3.47Å; E404-R571 WeakPolarHBondContact OE2-CD 3.22Å; E404-S572 VanDerWaalsContact CB-OG 3.22Å; E404-S572 WeakPolarHBondContact CB-OG 3.4Å
405N89.3Confident93.8Very high107 Ų10744.6 Ų44.657%0.57224%0.235SC*.Hα-helixtrans-66-33.6176.6-62.5-31.9000111.9E403 K407 L408E403-N405 PolarHBondContact O-N 2.99Å; N405-K407 VanDerWaalsContact C-N 3.27Å; N405-K407 PolarHBondContact O-N 2.93Å; N405-L408 PolarHBondContact O-N 3.48Å
406G93.8Very high93.9Very high21 Ų2146.7 Ų46.722%0.21624%0.242CC..Hα-helixtrans-66.5-25.9-179.700000113.4E403 E404 L408 V409 A410E403-G406 PolarHBondContact O-N 3.09Å; E404-G406 VanDerWaalsContact C-N 3.3Å; E404-G406 PolarHBondContact O-N 3.02Å; G406-L408 VanDerWaalsContact C-N 3.27Å; G406-L408 PolarHBondContact O-N 3.18Å; G406-V409 PolarHBondContact O-N 3.18Å; G406-A410 WeakPolarHBondContact O-CB 3.28Å; G406-A410 PolarHBondContact O-N 2.7Å
407K95.4Very high93.8Very high0 Ų055.1 Ų55.10%028%0.279CS..Hα-helixtrans-56.5-40.1174.6-67.5175.9167.6170.90112.4V401 E404 N405 M411 Y495 D496 F523 T525V401-K407 HydrophobicContact CG2-CB 4.46Å; V401-K407 HydrophobicContact CG2-CG 3.61Å; E404-K407 WeakPolarHBondContact O-CB 3.21Å; E404-K407 PolarHBondContact O-N 3.33Å; E404-K407 IonicContact OE1-NZ 2.67Å; E404-K407 PolarHBondContact OE1-NZ 3.25Å; E404-K407 WeakPolarHBondContact OE2-CD 3.48Å; E404-K407 WeakPolarHBondContact OE2-CE 3.48Å; E404-K407 IonicContact OE2-NZ 3.77Å; E404-K407 PolarHBondContact OE2-NZ 3.49Å; N405-K407 VanDerWaalsContact C-N 3.27Å; N405-K407 PolarHBondContact O-N 2.93Å; K407-M411 WeakPolarHBondContact O-CB 3.39Å; K407-M411 PolarHBondContact O-N 2.67Å; K407-Y495 HydrophobicContact CB-CD1 4.45Å; K407-Y495 HydrophobicContact CB-CD2 4.45Å; K407-Y495 HydrophobicContact CB-CE1 3.79Å; K407-Y495 HydrophobicContact CB-CE2 3.8Å; K407-Y495 VanDerWaalsContact CB-CZ 3.43Å; K407-Y495 WeakPolarHBondContact CB-OH 3.5Å; K407-Y495 HydrophobicContact CD-CD1 4.12Å; K407-Y495 HydrophobicContact CD-CE1 3.8Å; K407-Y495 VanDerWaalsContact CD-O 3.28Å; K407-Y495 WeakPolarHBondContact CD-O 3.47Å; K407-Y495 WeakPolarHBondContact CE-O 3.45Å; K407-Y495 HydrophobicContact CG-CE1 4.4Å; K407-Y495 WeakPolarHBondContact O-CE2 3.47Å; K407-D496 IonicContact NZ-OD1 3.23Å; K407-D496 PolarHBondContact NZ-OD1 3.23Å; K407-F523 HydrophobicContact CB-CD2 3.94Å; K407-F523 HydrophobicContact CB-CE2 4.43Å; K407-F523 HydrophobicContact CG-CB 4.3Å; K407-F523 HydrophobicContact CG-CD2 4.06Å; K407-F523 VanDerWaalsContact O-CE2 3.22Å; K407-F523 WeakPolarHBondContact O-CE2 3.43Å; K407-T525 HydrophobicContact CG-CG2 4.48Å
408L94.7Very high93.7Very high13 Ų1354 Ų547%0.06828%0.283CS..Hα-helixtrans-75.2-33.6-178.2-173.759.7000111.7N405 G406 R412 L436 E439 Y495 I574 T576N405-L408 PolarHBondContact O-N 3.48Å; G406-L408 VanDerWaalsContact C-N 3.27Å; G406-L408 PolarHBondContact O-N 3.18Å; L408-R412 VanDerWaalsContact CD2-NH1 3.27Å; L408-R412 WeakPolarHBondContact O-CB 3.5Å; L408-R412 WeakPolarHBondContact O-CG 3.48Å; L408-R412 PolarHBondContact O-N 2.77Å; L408-L436 HydrophobicContact CD1-CD1 4Å; L408-E439 HydrophobicContact CD1-CB 4.06Å; L408-E439 HydrophobicContact CD1-CG 4.34Å; L408-E439 HydrophobicContact CD2-CG 3.98Å; L408-Y495 PolarHBondContact N-OH 3.19Å; L408-I574 HydrophobicContact CB-CG2 4.45Å; L408-I574 HydrophobicContact CD1-CG2 4.13Å; L408-I574 HydrophobicContact CD2-CG2 4.01Å; L408-I574 HydrophobicContact CG-CG2 4.43Å; L408-T576 HydrophobicContact CD2-CG2 4.1Å
409V94.6Very high93.6Very high80 Ų8054.2 Ų54.249%0.48528%0.283SS..Hα-helixtrans-65.4-50172.1-175.90000110G406 M411 R412 D413G406-V409 PolarHBondContact O-N 3.18Å; V409-M411 VanDerWaalsContact C-N 3.3Å; V409-M411 PolarHBondContact O-N 3.03Å; V409-R412 WeakPolarHBondContact O-CB 3.35Å; V409-R412 PolarHBondContact O-N 3.06Å; V409-R412 VanDerWaalsContact O-N 3.1Å; V409-D413 PolarHBondContact O-N 3.39Å
410A96.3Very high93.3Very high13 Ų1357.6 Ų57.611%0.10730%0.301CS..Hα-helixtrans-59.5-38.2176.900000112.8L399 V401 G406 D413 I414 F523L399-A410 HydrophobicContact CD2-CB 3.9Å; V401-A410 HydrophobicContact CG1-CB 3.76Å; G406-A410 WeakPolarHBondContact O-CB 3.28Å; G406-A410 PolarHBondContact O-N 2.7Å; A410-D413 PolarHBondContact O-N 3.12Å; A410-I414 WeakPolarHBondContact O-CG1 3.45Å; A410-I414 PolarHBondContact O-N 3.02Å; A410-F523 HydrophobicContact CB-CE1 3.88Å; A410-F523 HydrophobicContact CB-CE2 4.03Å; A410-F523 HydrophobicContact CB-CZ 3.57Å
411M95.4Very high93.1Very high0 Ų055.6 Ų55.60%030%0.298CS..Hα-helixtrans-65.1-45.2173.4-177.155.1169.700112K407 V409 D413 I414 I415 M423 V425 L440 V473 L493 Y495 F523K407-M411 WeakPolarHBondContact O-CB 3.39Å; K407-M411 PolarHBondContact O-N 2.67Å; V409-M411 VanDerWaalsContact C-N 3.3Å; V409-M411 PolarHBondContact O-N 3.03Å; M411-D413 VanDerWaalsContact C-N 3.25Å; M411-D413 PolarHBondContact O-N 2.94Å; M411-I414 PolarHBondContact O-N 3.5Å; M411-I415 HydrophobicContact CE-CD1 4.14Å; M411-I415 HydrophobicContact CG-CD1 4.08Å; M411-I415 WeakPolarHBondContact O-CD1 3.4Å; M411-I415 WeakPolarHBondContact O-CG1 3.34Å; M411-I415 PolarHBondContact O-N 3Å; M411-I415 HydrophobicContact SD-CD1 4.34Å; M411-M423 HydrophobicContact CE-CE 4.16Å; M411-M423 HydrophobicContact CE-SD 3.91Å; M411-V425 HydrophobicContact CE-CG2 4.09Å; M411-L440 HydrophobicContact CE-CD1 3.61Å; M411-L440 HydrophobicContact CE-CD2 4.35Å; M411-L440 HydrophobicContact CG-CD2 4.04Å; M411-V473 HydrophobicContact CE-CG1 4.21Å; M411-L493 HydrophobicContact CE-CD2 4.07Å; M411-L493 HydrophobicContact SD-CD2 3.3Å; M411-L493 WeakPolarHBondContact SD-CD2 3.36Å; M411-Y495 HydrophobicContact CB-CD2 4.4Å; M411-Y495 HydrophobicContact CB-CE2 4.08Å; M411-F523 HydrophobicContact CB-CE2 4.24Å; M411-F523 HydrophobicContact CB-CZ 4.48Å
412R94.1Very high92.9Very high45 Ų4556 Ų5617%0.1730%0.301CS..Hα-helixtrans-58.2-38.6173.3-79.8174.8163.411412.9111.4L408 V409 I415 K416 E439 E443 T576L408-R412 VanDerWaalsContact CD2-NH1 3.27Å; L408-R412 WeakPolarHBondContact O-CB 3.5Å; L408-R412 WeakPolarHBondContact O-CG 3.48Å; L408-R412 PolarHBondContact O-N 2.77Å; V409-R412 WeakPolarHBondContact O-CB 3.35Å; V409-R412 PolarHBondContact O-N 3.06Å; V409-R412 VanDerWaalsContact O-N 3.1Å; R412-I415 PolarHBondContact O-N 3.44Å; R412-K416 VanDerWaalsContact O-CG 3.25Å; R412-K416 WeakPolarHBondContact O-CG 3.47Å; R412-K416 PolarHBondContact O-N 3.33Å; R412-E439 IonicContact CZ-OE2 3.84Å; R412-E439 IonicContact NH1-OE2 3.85Å; R412-E439 PolarHBondContact NH1-OE2 3.07Å; R412-E439 IonicContact NH2-OE2 3.5Å; R412-E439 PolarHBondContact NH2-OE2 3.41Å; R412-E443 IonicContact CZ-OE1 2.82Å; R412-E443 IonicContact NE-OE1 2.72Å; R412-E443 PolarHBondContact NE-OE1 2.95Å; R412-E443 IonicContact NE-OE2 3.99Å; R412-E443 IonicContact NH2-OE1 3.62Å; R412-E443 PolarHBondContact NH2-OE1 3.21Å; R412-T576 VanDerWaalsContact NH1-CG2 3.32Å
413D94.8Very high93Very high58 Ų5855 Ų5531%0.3129%0.29SS..Hα-helixtrans-75.8-31.4-178.7-65.4-18.5000113.2V409 A410 M411 I415 K416 K417V409-D413 PolarHBondContact O-N 3.39Å; A410-D413 PolarHBondContact O-N 3.12Å; M411-D413 VanDerWaalsContact C-N 3.25Å; M411-D413 PolarHBondContact O-N 2.94Å; D413-I415 VanDerWaalsContact C-N 3.34Å; D413-K416 IonicContact OD1-NZ 3.45Å; D413-K416 PolarHBondContact OD1-NZ 2.83Å; D413-K417 WeakPolarHBondContact O-CB 3.25Å; D413-K417 WeakPolarHBondContact O-CG 3.04Å; D413-K417 PolarHBondContact O-N 2.92Å
414I94.7Very high93.1Very high23 Ų2348.7 Ų48.712%0.11826%0.261CS..Hα-helixtrans-61.4-43.6166.1-69.2168.9000110.3A410 M411 G418 F419 M423 L491 L493 I521 F523A410-I414 WeakPolarHBondContact O-CG1 3.45Å; A410-I414 PolarHBondContact O-N 3.02Å; M411-I414 PolarHBondContact O-N 3.5Å; I414-G418 CarbonylContact O-C 3.19Å; I414-G418 PolarHBondContact O-N 3.32Å; I414-F419 HydrophobicContact CG2-CB 4.32Å; I414-M423 HydrophobicContact CG2-CE 4.24Å; I414-L491 HydrophobicContact CG2-CD2 4.34Å; I414-L493 HydrophobicContact CD1-CD1 4.38Å; I414-I521 HydrophobicContact CD1-CD1 3.87Å; I414-I521 HydrophobicContact CD1-CG2 4.33Å; I414-I521 HydrophobicContact CG1-CD1 4.44Å; I414-F523 HydrophobicContact CD1-CE1 3.88Å; I414-F523 HydrophobicContact CD1-CZ 3.78Å
415I93.4Very high93.3Very high25 Ų2547.9 Ų47.913%0.12826%0.257CS..Hα-helixtrans-64.6-46.3178.5-68.6161.6000111.3M411 R412 D413 K417 G418 F419 L440 I445M411-I415 HydrophobicContact CE-CD1 4.14Å; M411-I415 HydrophobicContact CG-CD1 4.08Å; M411-I415 WeakPolarHBondContact O-CD1 3.4Å; M411-I415 WeakPolarHBondContact O-CG1 3.34Å; M411-I415 PolarHBondContact O-N 3Å; M411-I415 HydrophobicContact SD-CD1 4.34Å; R412-I415 PolarHBondContact O-N 3.44Å; D413-I415 VanDerWaalsContact C-N 3.34Å; I415-K417 PolarHBondContact O-N 2.72Å; I415-G418 PolarHBondContact O-N 3.22Å; I415-G418 VanDerWaalsContact O-N 3.1Å; I415-F419 HydrophobicContact CG1-CE1 4.3Å; I415-L440 HydrophobicContact CD1-CD2 3.46Å; I415-L440 VanDerWaalsContact CD1-CD2 3.46Å; I415-I445 HydrophobicContact CD1-CG1 4.32Å; I415-I445 HydrophobicContact CG2-CD1 3.65Å; I415-I445 HydrophobicContact CG2-CG1 4.04Å
416K92.8Very high93.7Very high146 Ų14642.9 Ų42.964%0.63523%0.23SC*.Hα-helixtrans-64-38.5179.1-70.9168.5-165161.50113.3R412 D413 G418R412-K416 VanDerWaalsContact O-CG 3.25Å; R412-K416 WeakPolarHBondContact O-CG 3.47Å; R412-K416 PolarHBondContact O-N 3.33Å; D413-K416 IonicContact OD1-NZ 3.45Å; D413-K416 PolarHBondContact OD1-NZ 2.83Å; K416-G418 PolarHBondContact O-N 2.74Å
417K93.3Very high93.7Very high183 Ų18341.9 Ų41.980%0.79622%0.22SC*.Hα-helixtrans-69.2-18.2174.7-73172.1-178.1-179.60112.6D413 I415D413-K417 WeakPolarHBondContact O-CB 3.25Å; D413-K417 WeakPolarHBondContact O-CG 3.04Å; D413-K417 PolarHBondContact O-N 2.92Å; I415-K417 PolarHBondContact O-N 2.72Å
418G90.3Very high93.5Very high38 Ų3844.6 Ų44.639%0.39223%0.233SC..  trans84.2147.3-170.700000111.9I414 I415 K416I414-G418 CarbonylContact O-C 3.19Å; I414-G418 PolarHBondContact O-N 3.32Å; I415-G418 PolarHBondContact O-N 3.22Å; I415-G418 VanDerWaalsContact O-N 3.1Å; K416-G418 PolarHBondContact O-N 2.74Å
419F91.3Very high93.3Very high38 Ų3845.5 Ų45.517%0.16724%0.24CC..  trans-139.6157.1172.667.3-85.7000108.9I414 I415 P421 M423 W472 V473 L491I414-F419 HydrophobicContact CG2-CB 4.32Å; I415-F419 HydrophobicContact CG1-CE1 4.3Å; F419-P421 HydrophobicContact CE2-CB 4.06Å; F419-P421 VanDerWaalsContact O-CD 3.22Å; F419-P421 WeakPolarHBondContact O-CD 3.33Å; F419-M423 HydrophobicContact CB-CE 4.26Å; F419-M423 HydrophobicContact CD1-CE 3.64Å; F419-M423 HydrophobicContact CD2-CB 4.03Å; F419-M423 HydrophobicContact CD2-CE 3.49Å; F419-M423 VanDerWaalsContact CD2-CE 3.49Å; F419-M423 HydrophobicContact CE1-CE 3.79Å; F419-M423 HydrophobicContact CE2-CB 3.79Å; F419-M423 HydrophobicContact CE2-CE 3.65Å; F419-M423 HydrophobicContact CG-CE 3.5Å; F419-M423 HydrophobicContact CZ-CE 3.8Å; F419-W472 HydrophobicContact CZ-CB 4.41Å; F419-V473 HydrophobicContact CE1-CG2 4.36Å; F419-V473 HydrophobicContact CE2-CG2 4.11Å; F419-V473 HydrophobicContact CZ-CG2 3.55Å; F419-L491 HydrophobicContact CB-CD2 4.08Å
420L89.8Confident93.1Very high130 Ų13043 Ų4368%0.68122%0.224SC*.  trans-81.6112.5172.2-63.6175.2000109.2N490L420-N490 HydrophobicContact CB-CB 4.07Å; L420-N490 WeakPolarHBondContact O-CB 3.3Å
421P89.9Confident93Very high57 Ų5747.2 Ų47.237%0.3724%0.241SC..SBendtrans-68.1157.9169.231-35.3000110F419 W472 N490F419-P421 HydrophobicContact CE2-CB 4.06Å; F419-P421 VanDerWaalsContact O-CD 3.22Å; F419-P421 WeakPolarHBondContact O-CD 3.33Å; P421-W472 HydrophobicContact CB-CB 3.92Å; P421-W472 HydrophobicContact CB-CG 4.13Å; P421-N490 PolarHBondContact O-ND2 2.86Å
422P92.3Very high92.9Very high29 Ų2947.8 Ų47.819%0.18824%0.243CC..PPolyproline II helixcis-83.8140.7-1.731-30.7000113.1F466 G488 N490P422-F466 HydrophobicContact CB-CD2 4.2Å; P422-F466 HydrophobicContact CB-CE1 4.3Å; P422-F466 HydrophobicContact CB-CE2 3.58Å; P422-F466 HydrophobicContact CB-CZ 3.66Å; P422-F466 HydrophobicContact CG-CZ 4.49Å; P422-G488 VanDerWaalsContact CD-O 3.28Å; P422-G488 WeakPolarHBondContact CD-O 3.39Å; P422-G488 VanDerWaalsContact CG-O 3.28Å; P422-G488 WeakPolarHBondContact CG-O 3.47Å; P422-N490 PolarHBondContact O-N 2.86Å; P422-N490 VanDerWaalsContact O-N 3.08Å
423M94Very high92.8Very high0 Ų045.6 Ų45.60%024%0.235CC..EExtended strand (participates in β ladder)trans-103.9137.2176-167.1-157.9-56.500111.2M411 I414 F419 V425 F466 W472 V473 L474 L491 L493M411-M423 HydrophobicContact CE-CE 4.16Å; M411-M423 HydrophobicContact CE-SD 3.91Å; I414-M423 HydrophobicContact CG2-CE 4.24Å; F419-M423 HydrophobicContact CB-CE 4.26Å; F419-M423 HydrophobicContact CD1-CE 3.64Å; F419-M423 HydrophobicContact CD2-CB 4.03Å; F419-M423 HydrophobicContact CD2-CE 3.49Å; F419-M423 VanDerWaalsContact CD2-CE 3.49Å; F419-M423 HydrophobicContact CE1-CE 3.79Å; F419-M423 HydrophobicContact CE2-CB 3.79Å; F419-M423 HydrophobicContact CE2-CE 3.65Å; F419-M423 HydrophobicContact CG-CE 3.5Å; F419-M423 HydrophobicContact CZ-CE 3.8Å; M423-V425 HydrophobicContact CG-CG2 4.31Å; M423-V425 HydrophobicContact SD-CG2 3.61Å; M423-F466 WeakPolarHBondContact O-CE2 3.35Å; M423-W472 PolarHBondContact N-O 3.28Å; M423-V473 HydrophobicContact CB-CG2 4.38Å; M423-V473 HydrophobicContact CE-CG2 4.34Å; M423-V473 WeakPolarHBondContact O-CA 3.48Å; M423-V473 HydrophobicContact SD-CG1 4.35Å; M423-L474 PolarHBondContact O-N 3.06Å; M423-L491 CarbonylContact C-O 3.59Å; M423-L491 VanDerWaalsContact CA-O 3.26Å; M423-L491 WeakPolarHBondContact CA-O 3.22Å; M423-L491 HydrophobicContact CE-CD2 4.04Å; M423-L491 HydrophobicContact CG-CB 4.05Å; M423-L491 HydrophobicContact CG-CD2 4.13Å; M423-L491 HydrophobicContact CG-CG 3.92Å; M423-L491 WeakPolarHBondContact CG-O 3.36Å; M423-L491 HydrophobicContact SD-CD2 4.37Å; M423-L493 HydrophobicContact SD-CB 4.14Å; M423-L493 HydrophobicContact SD-CD2 4.33Å
424L94.5Very high92.8Very high0 Ų047.1 Ų47.10%024%0.237CC..EExtended strand (participates in β ladder)trans-112.4117.8173.3-17370.4000110.6F426 L474 F486 V489 L491 V492 L493 R510L424-F426 HydrophobicContact CD2-CE2 3.71Å; L424-F426 HydrophobicContact CD2-CZ 3.82Å; L424-F426 HydrophobicContact CG-CE2 4.05Å; L424-F426 HydrophobicContact CG-CZ 4.39Å; L424-L474 HydrophobicContact CD1-CB 4.09Å; L424-L474 HydrophobicContact CD1-CD2 4.04Å; L424-L474 HydrophobicContact CD1-CG 4.05Å; L424-F486 HydrophobicContact CD1-CD2 4.26Å; L424-F486 HydrophobicContact CD1-CE1 4.46Å; L424-F486 HydrophobicContact CD1-CE2 3.93Å; L424-F486 HydrophobicContact CD1-CZ 4.03Å; L424-F486 HydrophobicContact CD2-CD2 3.72Å; L424-F486 HydrophobicContact CD2-CE2 3.9Å; L424-F486 HydrophobicContact CD2-CG 4.47Å; L424-V489 HydrophobicContact CB-CG1 3.88Å; L424-V489 HydrophobicContact CB-CG2 4.46Å; L424-L491 PolarHBondContact N-O 3.09Å; L424-V492 WeakPolarHBondContact O-CA 3.42Å; L424-L493 PolarHBondContact O-N 2.87Å; L424-R510 HydrophobicContact CD2-CB 3.65Å; L424-R510 HydrophobicContact CD2-CG 3.75Å
425V95.9Very high92.7Very high0 Ų048 Ų480%024%0.24CC..EExtended strand (participates in β ladder)trans-106129.3-175.7-173.90000110.7M411 M423 L436 V473 L474 I475 C476 L493M411-V425 HydrophobicContact CE-CG2 4.09Å; M423-V425 HydrophobicContact CG-CG2 4.31Å; M423-V425 HydrophobicContact SD-CG2 3.61Å; V425-L436 HydrophobicContact CG1-CD2 3.97Å; V425-V473 HydrophobicContact CG2-CG1 3.49Å; V425-V473 VanDerWaalsContact CG2-CG1 3.49Å; V425-L474 PolarHBondContact N-O 3.02Å; V425-I475 HydrophobicContact CB-CG1 4.26Å; V425-I475 WeakPolarHBondContact O-CA 3.39Å; V425-C476 PolarHBondContact O-N 3.04Å; V425-C476 PolarHBondContact O-SG 3.36Å; V425-L493 CarbonylContact C-O 3.43Å; V425-L493 WeakPolarHBondContact CA-O 3.48Å; V425-L493 HydrophobicContact CG1-CB 4.49Å; V425-L493 HydrophobicContact CG1-CD2 4.26Å; V425-L493 HydrophobicContact CG1-CG 4.4Å; V425-L493 HydrophobicContact CG2-CB 4.28Å; V425-L493 HydrophobicContact CG2-CD2 4.38Å
426F95.9Very high92.8Very high1 Ų146.8 Ų46.80%0.00423%0.234CC..EExtended strand (participates in β ladder)trans-105.8125.3178.5-76.3-82.5000112.6L424 C476 A478 A481 V492 L493 Y495 D496 R507 R510L424-F426 HydrophobicContact CD2-CE2 3.71Å; L424-F426 HydrophobicContact CD2-CZ 3.82Å; L424-F426 HydrophobicContact CG-CE2 4.05Å; L424-F426 HydrophobicContact CG-CZ 4.39Å; F426-C476 VanDerWaalsContact CD1-SG 3.54Å; F426-C476 WeakPolarHBondContact CE1-SG 3.29Å; F426-A478 HydrophobicContact CD1-CB 4.29Å; F426-A481 HydrophobicContact CE1-CB 3.4Å; F426-A481 VanDerWaalsContact CE1-CB 3.4Å; F426-A481 HydrophobicContact CZ-CB 3.52Å; F426-V492 HydrophobicContact CD2-CG1 3.84Å; F426-V492 HydrophobicContact CE2-CG1 3.84Å; F426-L493 PolarHBondContact N-O 3.33Å; F426-Y495 PolarHBondContact O-N 3.06Å; F426-Y495 VanDerWaalsContact O-N 3.09Å; F426-D496 PolarHBondContact O-N 3.33Å; F426-D496 VanDerWaalsContact O-N 3.13Å; F426-R507 HydrophobicContact CD1-CB 4.43Å; F426-R507 HydrophobicContact CD1-CG 3.72Å; F426-R507 HydrophobicContact CD2-CB 3.82Å; F426-R507 HydrophobicContact CD2-CG 4Å; F426-R507 HydrophobicContact CE1-CB 4.22Å; F426-R507 HydrophobicContact CE1-CG 3.68Å; F426-R507 HydrophobicContact CE2-CB 3.58Å; F426-R507 HydrophobicContact CE2-CG 3.96Å; F426-R507 HydrophobicContact CG-CB 4.23Å; F426-R507 HydrophobicContact CG-CG 3.87Å; F426-R507 HydrophobicContact CZ-CB 3.8Å; F426-R507 HydrophobicContact CZ-CG 3.8Å; F426-R510 HydrophobicContact CZ-CG 4.21Å
427V94.8Very high92.9Very high1 Ų142.3 Ų42.31%0.00622%0.215CC..EExtended strand (participates in β ladder)trans-124.9158.4176.5-66.50000112.1R432 A433 L436 I475 C476 T477 Y495 D496V427-R432 HydrophobicContact CB-CB 4.37Å; V427-A433 HydrophobicContact CG2-CB 3.63Å; V427-L436 HydrophobicContact CG1-CD2 3.96Å; V427-I475 HydrophobicContact CG1-CG2 4.12Å; V427-I475 HydrophobicContact CG2-CG2 3.77Å; V427-C476 PolarHBondContact N-O 3.16Å; V427-C476 VanDerWaalsContact N-O 3.09Å; V427-T477 HydrophobicContact CG2-CG2 4.47Å; V427-Y495 HydrophobicContact CG1-CD1 4.11Å; V427-Y495 HydrophobicContact CG1-CG 4.36Å; V427-D496 WeakPolarHBondContact CA-OD2 3.45Å
428Q90.9Very high92.9Very high57 Ų5738.5 Ų38.527%0.26620%0.2SC..SBendtrans-74.3-27.8-172.7-176.2175.7-45.600113.8D496 P568 P569Q428-D496 HydrophobicContact CB-CB 3.84Å; Q428-D496 WeakPolarHBondContact CB-OD2 3.48Å; Q428-D496 PolarHBondContact N-OD2 3.06Å; Q428-P568 HydrophobicContact CG-CB 4.44Å; Q428-P568 HydrophobicContact CG-CG 4.19Å; Q428-P569 PolarHBondContact NE2-O 2.96Å
429S90.6Very high93.1Very high32 Ų3237 Ų3722%0.22418%0.182CC..SBendtrans-148.4169-174.687.80000113.7E431 R432 A433S429-E431 WeakPolarHBondContact CB-OE2 3.35Å; S429-E431 PolarHBondContact OG-OE2 2.81Å; S429-R432 PolarHBondContact OG-N 2.88Å; S429-A433 PolarHBondContact O-N 3.27Å; S429-A433 VanDerWaalsContact O-N 3.15Å
430I91.3Very high93.2Very high26 Ų2635.3 Ų35.313%0.13318%0.175CC..Hα-helixtrans-71.4-35.9-177.7-60.2-173.5000111A433 R434 H451 A452 E453 T477I430-A433 WeakPolarHBondContact O-CB 3.27Å; I430-A433 PolarHBondContact O-N 3.18Å; I430-R434 WeakPolarHBondContact O-CG 3.26Å; I430-R434 PolarHBondContact O-N 3.45Å; I430-R434 VanDerWaalsContact O-N 3.15Å; I430-H451 HydrophobicContact CB-CB 4.44Å; I430-H451 HydrophobicContact CD1-CB 4.3Å; I430-H451 HydrophobicContact CG1-CB 4.07Å; I430-H451 HydrophobicContact CG2-CB 3.89Å; I430-A452 HydrophobicContact CD1-CB 3.9Å; I430-E453 HydrophobicContact CD1-CG 4.37Å; I430-T477 HydrophobicContact CG1-CG2 4.26Å
431E92.3Very high93.3Very high103 Ų10332.4 Ų32.448%0.48116%0.163SC..Hα-helixtrans-63-51.4176.8-52.470.7-152.200109.4S429 A433 R434 E435S429-E431 WeakPolarHBondContact CB-OE2 3.35Å; S429-E431 PolarHBondContact OG-OE2 2.81Å; E431-A433 PolarHBondContact O-N 3.35Å; E431-R434 WeakPolarHBondContact O-CB 3.4Å; E431-R434 PolarHBondContact O-N 3.03Å; E431-E435 VanDerWaalsContact O-CG 3.3Å; E431-E435 WeakPolarHBondContact O-CG 3.18Å; E431-E435 PolarHBondContact O-N 1.94Å
432R93.4Very high93.2Very high11 Ų1138.4 Ų38.44%0.04218%0.179CC..Hα-helixtrans-59.8-32.8176.3-67.31806978.7-17.1112.8E404 V427 S429 L436 D496 R571 S572 I574E404-R432 IonicContact OE2-CZ 2.65Å; E404-R432 IonicContact OE2-NH2 2.7Å; E404-R432 PolarHBondContact OE2-NH2 3.08Å; V427-R432 HydrophobicContact CB-CB 4.37Å; S429-R432 PolarHBondContact OG-N 2.88Å; R432-L436 VanDerWaalsContact O-CB 3.3Å; R432-L436 WeakPolarHBondContact O-CB 3.33Å; R432-L436 PolarHBondContact O-N 2.65Å; R432-D496 IonicContact CZ-OD1 2.82Å; R432-D496 IonicContact CZ-OD2 2.72Å; R432-D496 IonicContact NE-OD1 3.62Å; R432-D496 PolarHBondContact NE-OD1 3.23Å; R432-D496 IonicContact NE-OD2 2.77Å; R432-D496 PolarHBondContact NE-OD2 3.02Å; R432-D496 IonicContact NH2-OD1 2.7Å; R432-D496 PolarHBondContact NH2-OD1 3.03Å; R432-D496 IonicContact NH2-OD2 2.84Å; R432-R571 VanDerWaalsContact CZ-CB 3.46Å; R432-S572 PolarHBondContact NH1-O 2.97Å; R432-I574 HydrophobicContact CB-CD1 4.04Å; R432-I574 HydrophobicContact CG-CD1 4.41Å
433A93.6Very high92.9Very high0 Ų040.4 Ų40.40%019%0.186CC..Hα-helixtrans-65.6-39175.100000112.4V427 S429 I430 E431 F437 V449 I475V427-A433 HydrophobicContact CG2-CB 3.63Å; S429-A433 PolarHBondContact O-N 3.27Å; S429-A433 VanDerWaalsContact O-N 3.15Å; I430-A433 WeakPolarHBondContact O-CB 3.27Å; I430-A433 PolarHBondContact O-N 3.18Å; E431-A433 PolarHBondContact O-N 3.35Å; A433-F437 VanDerWaalsContact O-CB 3.23Å; A433-F437 WeakPolarHBondContact O-CB 3.3Å; A433-F437 PolarHBondContact O-N 3.2Å; A433-F437 VanDerWaalsContact O-N 3.1Å; A433-V449 HydrophobicContact CB-CG1 3.54Å; A433-V449 WeakPolarHBondContact O-CG2 3.27Å; A433-I475 HydrophobicContact CB-CG2 3.92Å
434R93.2Very high92.6Very high90 Ų9043.2 Ų43.234%0.3422%0.215SC..Hα-helixtrans-72.5-44.8175-67.4167.3173.31560.6111.8I430 E431 F437 H438 H451 E453I430-R434 WeakPolarHBondContact O-CG 3.26Å; I430-R434 PolarHBondContact O-N 3.45Å; I430-R434 VanDerWaalsContact O-N 3.15Å; E431-R434 WeakPolarHBondContact O-CB 3.4Å; E431-R434 PolarHBondContact O-N 3.03Å; R434-F437 WeakPolarHBondContact O-CB 3.46Å; R434-F437 PolarHBondContact O-N 2.95Å; R434-H438 PolarHBondContact O-CD2 3.27Å; R434-H438 PolarHBondContact O-N 3.34Å; R434-H451 PolarHBondContact NE-NE2 3.23Å; R434-H451 PolarHBondContact NH2-CE1 3.34Å; R434-H451 PolarHBondContact NH2-NE2 3.24Å; R434-E453 IonicContact CZ-OE2 2.77Å; R434-E453 VanDerWaalsContact CZ-OE2 3.29Å; R434-E453 IonicContact NH1-OE1 2.76Å; R434-E453 IonicContact NH1-OE2 3.63Å; R434-E453 PolarHBondContact NH1-OE2 3.39Å; R434-E453 IonicContact NH2-OE2 3.92Å; R434-E453 PolarHBondContact NH2-OE2 2.96Å
435E93.9Very high92.5Very high41 Ų4144.2 Ų44.219%0.19222%0.22CC..Hα-helixtrans-55.6-53.1176-71173.2170.300111.2E431 F437 H438 E439 T573 I574E431-E435 VanDerWaalsContact O-CG 3.3Å; E431-E435 WeakPolarHBondContact O-CG 3.18Å; E431-E435 PolarHBondContact O-N 1.94Å; E435-F437 PolarHBondContact O-N 3.49Å; E435-H438 PolarHBondContact O-N 2.96Å; E435-E439 PolarHBondContact O-N 2.96Å; E435-T573 HydrophobicContact CG-CG2 4.36Å; E435-T573 WeakPolarHBondContact OE1-CA 3.33Å; E435-T573 WeakPolarHBondContact OE1-CB 3.45Å; E435-T573 VanDerWaalsContact OE1-CG2 3.29Å; E435-T573 WeakPolarHBondContact OE1-CG2 3.25Å; E435-T573 PolarHBondContact OE1-OG1 2.62Å; E435-T573 WeakPolarHBondContact OE2-CA 3.42Å; E435-I574 HydrophobicContact CB-CB 3.95Å; E435-I574 WeakPolarHBondContact CB-O 3.29Å; E435-I574 PolarHBondContact OE2-N 3.02Å
436L95.4Very high92.4Very high0 Ų047.4 Ų47.40%024%0.237CC..Hα-helixtrans-65.4-38.1177.9-176.961.1000112.6L408 V425 V427 R432 H438 E439 L440 I475 Y495 I574L408-L436 HydrophobicContact CD1-CD1 4Å; V425-L436 HydrophobicContact CG1-CD2 3.97Å; V427-L436 HydrophobicContact CG1-CD2 3.96Å; R432-L436 VanDerWaalsContact O-CB 3.3Å; R432-L436 WeakPolarHBondContact O-CB 3.33Å; R432-L436 PolarHBondContact O-N 2.65Å; L436-H438 PolarHBondContact O-N 3.15Å; L436-E439 PolarHBondContact O-N 2.87Å; L436-L440 HydrophobicContact CD1-CD1 4.23Å; L436-L440 HydrophobicContact CD1-CG 4.1Å; L436-L440 HydrophobicContact CG-CD1 4.12Å; L436-L440 HydrophobicContact CG-CG 4.33Å; L436-L440 WeakPolarHBondContact O-CG 3.35Å; L436-L440 PolarHBondContact O-N 3.21Å; L436-I475 HydrophobicContact CB-CD1 4.12Å; L436-I475 HydrophobicContact CD2-CD1 4.12Å; L436-I475 HydrophobicContact CD2-CG1 4.43Å; L436-I475 HydrophobicContact CG-CD1 3.89Å; L436-Y495 HydrophobicContact CD1-CD2 4.33Å; L436-Y495 HydrophobicContact CD1-CE2 3.77Å; L436-Y495 HydrophobicContact CD2-CD1 4.35Å; L436-Y495 HydrophobicContact CD2-CD2 3.87Å; L436-Y495 HydrophobicContact CD2-CE2 4.1Å; L436-Y495 HydrophobicContact CD2-CG 4Å; L436-I574 HydrophobicContact CB-CD1 3.99Å; L436-I574 HydrophobicContact CD1-CG2 4.41Å
437F95.1Very high92.4Very high52 Ų5248.1 Ų48.123%0.22824%0.241CC..Hα-helixtrans-57.2-47.2174.2165.9-94.3000111.8A433 R434 E435 E439 L440 V441 V447 V449 I475A433-F437 VanDerWaalsContact O-CB 3.23Å; A433-F437 WeakPolarHBondContact O-CB 3.3Å; A433-F437 PolarHBondContact O-N 3.2Å; A433-F437 VanDerWaalsContact O-N 3.1Å; R434-F437 WeakPolarHBondContact O-CB 3.46Å; R434-F437 PolarHBondContact O-N 2.95Å; E435-F437 PolarHBondContact O-N 3.49Å; F437-E439 PolarHBondContact O-N 3.48Å; F437-L440 PolarHBondContact O-N 3.01Å; F437-V441 HydrophobicContact CD1-CG2 4.42Å; F437-V441 HydrophobicContact CD2-CG2 4.2Å; F437-V441 HydrophobicContact CE1-CG2 4.08Å; F437-V441 HydrophobicContact CE2-CG2 3.84Å; F437-V441 HydrophobicContact CG-CG2 4.48Å; F437-V441 HydrophobicContact CZ-CG2 3.77Å; F437-V441 WeakPolarHBondContact O-CG2 3.39Å; F437-V441 PolarHBondContact O-N 3.15Å; F437-V447 HydrophobicContact CD2-CG1 3.76Å; F437-V447 HydrophobicContact CD2-CG2 4.24Å; F437-V447 HydrophobicContact CE2-CG1 4.02Å; F437-V447 WeakPolarHBondContact CE2-O 3.34Å; F437-V449 HydrophobicContact CB-CG2 3.42Å; F437-V449 VanDerWaalsContact CB-CG2 3.42Å; F437-V449 HydrophobicContact CD2-CG2 3.76Å; F437-V449 HydrophobicContact CG-CG2 3.72Å; F437-I475 HydrophobicContact CB-CD1 3.97Å
438H93.3Very high92.4Very high103 Ų10349.7 Ų49.748%0.47725%0.25SC..Hα-helixtrans-62.8-44.6179.6-71.9-56.1000112.2R434 E435 L436 L440 V441 Y442R434-H438 PolarHBondContact O-CD2 3.27Å; R434-H438 PolarHBondContact O-N 3.34Å; E435-H438 PolarHBondContact O-N 2.96Å; L436-H438 PolarHBondContact O-N 3.15Å; H438-L440 PolarHBondContact O-N 3.04Å; H438-V441 PolarHBondContact O-N 3.27Å; H438-Y442 WeakPolarHBondContact O-CD2 3.44Å; H438-Y442 PolarHBondContact O-N 2.72Å
439E93.3Very high92.5Very high7 Ų747.1 Ų47.13%0.03324%0.238CC..Hα-helixtrans-58.3-45.5174.3-69.7-74.2153.900111.8L408 R412 E435 L436 F437 V441 Y442 E443 I574 C575 T576L408-E439 HydrophobicContact CD1-CB 4.06Å; L408-E439 HydrophobicContact CD1-CG 4.34Å; L408-E439 HydrophobicContact CD2-CG 3.98Å; R412-E439 IonicContact CZ-OE2 3.84Å; R412-E439 IonicContact NH1-OE2 3.85Å; R412-E439 PolarHBondContact NH1-OE2 3.07Å; R412-E439 IonicContact NH2-OE2 3.5Å; R412-E439 PolarHBondContact NH2-OE2 3.41Å; E435-E439 PolarHBondContact O-N 2.96Å; L436-E439 PolarHBondContact O-N 2.87Å; F437-E439 PolarHBondContact O-N 3.48Å; E439-V441 PolarHBondContact O-N 2.83Å; E439-Y442 PolarHBondContact O-N 3.38Å; E439-E443 PolarHBondContact O-N 3.46Å; E439-I574 HydrophobicContact CG-CG2 4.46Å; E439-C575 WeakPolarHBondContact OE1-CA 3.5Å; E439-T576 PolarHBondContact OE1-N 3Å; E439-T576 PolarHBondContact OE1-OG1 3.16Å; E439-T576 WeakPolarHBondContact OE2-CG2 3.5Å; E439-T576 PolarHBondContact OE2-OG1 3.43Å
440L92.9Very high92.5Very high1 Ų145.6 Ų45.61%0.00523%0.227CC..Hα-helixtrans-72.1-26.5-178.9-65.6-173.2000114.4M411 I415 L436 F437 H438 E443 I445 V447 V473 I475M411-L440 HydrophobicContact CE-CD1 3.61Å; M411-L440 HydrophobicContact CE-CD2 4.35Å; M411-L440 HydrophobicContact CG-CD2 4.04Å; I415-L440 HydrophobicContact CD1-CD2 3.46Å; I415-L440 VanDerWaalsContact CD1-CD2 3.46Å; L436-L440 HydrophobicContact CD1-CD1 4.23Å; L436-L440 HydrophobicContact CD1-CG 4.1Å; L436-L440 HydrophobicContact CG-CD1 4.12Å; L436-L440 HydrophobicContact CG-CG 4.33Å; L436-L440 WeakPolarHBondContact O-CG 3.35Å; L436-L440 PolarHBondContact O-N 3.21Å; F437-L440 PolarHBondContact O-N 3.01Å; H438-L440 PolarHBondContact O-N 3.04Å; L440-E443 PolarHBondContact O-N 3.31Å; L440-I445 PolarHBondContact O-N 3.05Å; L440-V447 HydrophobicContact CB-CB 4.42Å; L440-V447 HydrophobicContact CB-CG1 4.06Å; L440-V447 HydrophobicContact CB-CG2 4.36Å; L440-V447 HydrophobicContact CD1-CG2 4.25Å; L440-V473 HydrophobicContact CD1-CG1 4.25Å; L440-I475 HydrophobicContact CD1-CD1 4.31Å
441V92.2Very high92.4Very high70 Ų7044.9 Ų44.942%0.42422%0.224SC..Hα-helixtrans-67.3-37.5170.11690000111F437 H438 E439 E443 G444 V447F437-V441 HydrophobicContact CD1-CG2 4.42Å; F437-V441 HydrophobicContact CD2-CG2 4.2Å; F437-V441 HydrophobicContact CE1-CG2 4.08Å; F437-V441 HydrophobicContact CE2-CG2 3.84Å; F437-V441 HydrophobicContact CG-CG2 4.48Å; F437-V441 HydrophobicContact CZ-CG2 3.77Å; F437-V441 WeakPolarHBondContact O-CG2 3.39Å; F437-V441 PolarHBondContact O-N 3.15Å; H438-V441 PolarHBondContact O-N 3.27Å; E439-V441 PolarHBondContact O-N 2.83Å; V441-E443 VanDerWaalsContact C-N 3.28Å; V441-E443 PolarHBondContact O-N 3.37Å; V441-G444 PolarHBondContact O-N 2.83Å; V441-V447 HydrophobicContact CG2-CG1 3.52Å
442Y88Confident91.9Very high182 Ų18242.4 Ų42.471%0.71422%0.221SC*.Hα-helixtrans-67.2-27.2175.1-67.9-61.6000113.1H438 E439 G444H438-Y442 WeakPolarHBondContact O-CD2 3.44Å; H438-Y442 PolarHBondContact O-N 2.72Å; E439-Y442 PolarHBondContact O-N 3.38Å; Y442-G444 PolarHBondContact O-N 2.71Å
443E85.6Confident91.5Very high71 Ų7147.3 Ų47.333%0.33224%0.244SC..THydrogen-bonded Turntrans-75.3-1.9171.1-54.9-64.5136.700113.3R412 E439 L440 V441 I445R412-E443 IonicContact CZ-OE1 2.82Å; R412-E443 IonicContact NE-OE1 2.72Å; R412-E443 PolarHBondContact NE-OE1 2.95Å; R412-E443 IonicContact NE-OE2 3.99Å; R412-E443 IonicContact NH2-OE1 3.62Å; R412-E443 PolarHBondContact NH2-OE1 3.21Å; E439-E443 PolarHBondContact O-N 3.46Å; L440-E443 PolarHBondContact O-N 3.31Å; V441-E443 VanDerWaalsContact C-N 3.28Å; V441-E443 PolarHBondContact O-N 3.37Å; E443-I445 HydrophobicContact CB-CG1 4.12Å
444G87.6Confident91.1Very high59 Ų5950.4 Ų50.461%0.60826%0.256SS*.THydrogen-bonded Turntrans76.120.8-179.600000114.8V441 Y442V441-G444 PolarHBondContact O-N 2.83Å; Y442-G444 PolarHBondContact O-N 2.71Å
445I92.6Very high90.9Very high21 Ų2149.7 Ų49.711%0.10826%0.262CS..  trans-89136.8-177.5-57.4-58.3000111.4I415 L440 E443 V447 V473I415-I445 HydrophobicContact CD1-CG1 4.32Å; I415-I445 HydrophobicContact CG2-CD1 3.65Å; I415-I445 HydrophobicContact CG2-CG1 4.04Å; L440-I445 PolarHBondContact O-N 3.05Å; E443-I445 HydrophobicContact CB-CG1 4.12Å; I445-V447 WeakPolarHBondContact O-CG1 3.44Å; I445-V447 PolarHBondContact O-N 3.35Å; I445-V473 HydrophobicContact CG2-CB 4.39Å; I445-V473 HydrophobicContact CG2-CG2 3.67Å
446N94.3Very high90.3Very high67 Ų6751.8 Ų51.836%0.35827%0.271SS..  trans-67.891.4172-71.3-45.7000110.7W472 V473N446-W472 HydrophobicContact CB-CB 4.29Å; N446-W472 HydrophobicContact CB-CD2 3.9Å; N446-W472 HydrophobicContact CB-CE3 4.28Å; N446-W472 HydrophobicContact CB-CG 3.9Å; N446-W472 VanDerWaalsContact ND2-CE2 3.31Å; N446-W472 VanDerWaalsContact ND2-CZ2 3.28Å; N446-W472 WeakPolarHBondContact ND2-CZ2 3.46Å; N446-W472 PolarHBondContact O-N 3.49Å; N446-V473 PolarHBondContact O-N 3.37Å; N446-V473 VanDerWaalsContact O-N 3.09Å
447V95.9Very high89.9Confident16 Ų1658.4 Ų58.410%0.09730%0.302CS..EExtended strand (participates in β ladder)trans-124.5150.4-173.165.50000112.2F437 L440 V441 I445 V473 I475F437-V447 HydrophobicContact CD2-CG1 3.76Å; F437-V447 HydrophobicContact CD2-CG2 4.24Å; F437-V447 HydrophobicContact CE2-CG1 4.02Å; F437-V447 WeakPolarHBondContact CE2-O 3.34Å; L440-V447 HydrophobicContact CB-CB 4.42Å; L440-V447 HydrophobicContact CB-CG1 4.06Å; L440-V447 HydrophobicContact CB-CG2 4.36Å; L440-V447 HydrophobicContact CD1-CG2 4.25Å; V441-V447 HydrophobicContact CG2-CG1 3.52Å; I445-V447 WeakPolarHBondContact O-CG1 3.44Å; I445-V447 PolarHBondContact O-N 3.35Å; V447-V473 VanDerWaalsContact CA-O 3.26Å; V447-V473 WeakPolarHBondContact CA-O 3.36Å; V447-V473 HydrophobicContact CB-CB 4.3Å; V447-V473 HydrophobicContact CG2-CB 4.07Å; V447-V473 HydrophobicContact CG2-CG1 4.14Å; V447-V473 WeakPolarHBondContact CG2-O 3.42Å; V447-I475 HydrophobicContact CG2-CD1 3.69Å; V447-I475 HydrophobicContact CG2-CG1 3.97Å
448D95.1Very high89.6Confident34 Ų3459.7 Ų59.718%0.18231%0.309CS..EExtended strand (participates in β ladder)trans-147.7172.3167-152.6-33.1000110.9R454 V462 I471 V473 I475D448-R454 IonicContact OD1-CZ 3.9Å; D448-R454 IonicContact OD1-NH2 3.43Å; D448-R454 PolarHBondContact OD1-NH2 3.04Å; D448-V462 HydrophobicContact CB-CG1 4.25Å; D448-V462 WeakPolarHBondContact OD2-CG2 3.24Å; D448-I471 HydrophobicContact CB-CD1 3.64Å; D448-I471 HydrophobicContact CB-CG1 4.22Å; D448-I471 HydrophobicContact CB-CG2 4.23Å; D448-V473 PolarHBondContact N-O 3.31Å; D448-I475 PolarHBondContact O-N 3.47Å
449V93.6Very high89.3Confident4 Ų456.8 Ų56.82%0.02429%0.294CS..EExtended strand (participates in β ladder)trans-125.4127-176.9-171.10000112.4A433 F437 H451 R454 I475A433-V449 HydrophobicContact CB-CG1 3.54Å; A433-V449 WeakPolarHBondContact O-CG2 3.27Å; F437-V449 HydrophobicContact CB-CG2 3.42Å; F437-V449 VanDerWaalsContact CB-CG2 3.42Å; F437-V449 HydrophobicContact CD2-CG2 3.76Å; F437-V449 HydrophobicContact CG-CG2 3.72Å; V449-H451 HydrophobicContact CG1-CB 4.19Å; V449-R454 PolarHBondContact O-NE 3.42Å; V449-I475 WeakPolarHBondContact CA-O 3.19Å; V449-I475 HydrophobicContact CG2-CB 4.34Å; V449-I475 HydrophobicContact CG2-CD1 4.46Å
450I89.9Confident88.9Confident0 Ų059.7 Ų59.70%031%0.31CS..EExtended strand (participates in β ladder)trans-109107.9167.8-170.1160.1000111R459 V462 V463 L474 I475 C476 L480 I484I450-R459 HydrophobicContact CD1-CB 3.93Å; I450-R459 HydrophobicContact CD1-CG 4.11Å; I450-R459 HydrophobicContact CG1-CG 4.21Å; I450-V462 HydrophobicContact CB-CG1 4.5Å; I450-V463 HydrophobicContact CD1-CG2 3.87Å; I450-L474 HydrophobicContact CB-CD1 4.19Å; I450-L474 HydrophobicContact CG2-CD1 3.84Å; I450-L474 HydrophobicContact CG2-CD2 4.13Å; I450-L474 HydrophobicContact CG2-CG 4.03Å; I450-I475 PolarHBondContact N-O 3.05Å; I450-C476 HydrophobicContact CG2-CB 3.51Å; I450-L480 HydrophobicContact CG1-CD1 4.28Å; I450-I484 HydrophobicContact CD1-CD1 3.53Å
451H88.6Confident88.7Confident11 Ų1164.1 Ų64.15%0.05133%0.333CS..  trans-136.4161.9-175.763.741.8000111.6I430 R434 V449 E453 R454 L480I430-H451 HydrophobicContact CB-CB 4.44Å; I430-H451 HydrophobicContact CD1-CB 4.3Å; I430-H451 HydrophobicContact CG1-CB 4.07Å; I430-H451 HydrophobicContact CG2-CB 3.89Å; R434-H451 PolarHBondContact NE-NE2 3.23Å; R434-H451 PolarHBondContact NH2-CE1 3.34Å; R434-H451 PolarHBondContact NH2-NE2 3.24Å; V449-H451 HydrophobicContact CG1-CB 4.19Å; H451-E453 PolarHBondContact ND1-N 3.39Å; H451-E453 PolarHBondContact O-N 3.48Å; H451-E453 VanDerWaalsContact O-N 3.07Å; H451-R454 PolarHBondContact ND1-N 3.27Å; H451-R454 WeakPolarHBondContact O-CB 3.46Å; H451-R454 PolarHBondContact O-N 2.92Å; H451-L480 WeakPolarHBondContact O-CD1 3.44Å
452A82.1Confident88.7Confident51 Ų5161.1 Ų61.142%0.42132%0.315SS..THydrogen-bonded Turntrans-52.7-38.9-169.900000114.1I430 R454 R459 L480I430-A452 HydrophobicContact CD1-CB 3.9Å; A452-R454 PolarHBondContact O-N 2.98Å; A452-R459 PolarHBondContact O-NH2 3.15Å; A452-L480 VanDerWaalsContact N-CD1 3.33Å
453E85.8Confident88.7Confident113 Ų11352.9 Ų52.953%0.52828%0.284SS..THydrogen-bonded Turntrans-71.3-6.3179.6-63.8161.9-141.900114.8I430 R434 H451I430-E453 HydrophobicContact CD1-CG 4.37Å; R434-E453 IonicContact CZ-OE2 2.77Å; R434-E453 VanDerWaalsContact CZ-OE2 3.29Å; R434-E453 IonicContact NH1-OE1 2.76Å; R434-E453 IonicContact NH1-OE2 3.63Å; R434-E453 PolarHBondContact NH1-OE2 3.39Å; R434-E453 IonicContact NH2-OE2 3.92Å; R434-E453 PolarHBondContact NH2-OE2 2.96Å; H451-E453 PolarHBondContact ND1-N 3.39Å; H451-E453 PolarHBondContact O-N 3.48Å; H451-E453 VanDerWaalsContact O-N 3.07Å
454R85.6Confident88.8Confident65 Ų6553.6 Ų53.625%0.24529%0.29CS..SBendtrans-72.2133.4171.5-69.6-60.4-158.3176.68.4109.2D448 V449 H451 A452 Q458 R459D448-R454 IonicContact OD1-CZ 3.9Å; D448-R454 IonicContact OD1-NH2 3.43Å; D448-R454 PolarHBondContact OD1-NH2 3.04Å; V449-R454 PolarHBondContact O-NE 3.42Å; H451-R454 PolarHBondContact ND1-N 3.27Å; H451-R454 WeakPolarHBondContact O-CB 3.46Å; H451-R454 PolarHBondContact O-N 2.92Å; A452-R454 PolarHBondContact O-N 2.98Å; R454-Q458 HydrophobicContact CB-CB 4.2Å; R454-R459 HydrophobicContact CB-CG 3.87Å; R454-R459 PolarHBondContact O-NE 2.69Å
455T87.7Confident89Confident76 Ų7652.5 Ų52.547%0.46627%0.273SS..  trans-64.4160.2172.172.70000110.9Q457 Q458 R459T455-Q457 PolarHBondContact O-N 3.47Å; T455-Q458 WeakPolarHBondContact O-CB 3.3Å; T455-Q458 PolarHBondContact O-N 3.49Å; T455-Q458 VanDerWaalsContact O-N 3.08Å; T455-Q458 VanDerWaalsContact OG1-CG 3.3Å; T455-Q458 WeakPolarHBondContact OG1-CG 3.35Å; T455-Q458 PolarHBondContact OG1-N 2.92Å; T455-R459 WeakPolarHBondContact O-CG 3.43Å; T455-R459 PolarHBondContact O-N 2.97Å
456Q81.1Confident88.9Confident84 Ų8451.8 Ų51.839%0.39327%0.269SS..Hα-helixtrans-56.6-49.8-178.3-170.660.450.200111.8Q458 R459 D460Q456-Q458 VanDerWaalsContact C-N 3.26Å; Q456-Q458 PolarHBondContact O-N 3Å; Q456-R459 WeakPolarHBondContact O-CA 3.49Å; Q456-R459 WeakPolarHBondContact O-CB 3.47Å; Q456-R459 PolarHBondContact O-N 2.99Å; Q456-D460 PolarHBondContact NE2-OD1 3.44Å; Q456-D460 PolarHBondContact O-N 3.08Å; Q456-D460 VanDerWaalsContact O-OD2 3.13Å
457Q87Confident88.5Confident139 Ų13954 Ų5465%0.6527%0.272SS*.Hα-helixtrans-57.2-36.3176.6-170.4-17713.700112.9T455 N461T455-Q457 PolarHBondContact O-N 3.47Å; Q457-N461 WeakPolarHBondContact O-CB 3.1Å; Q457-N461 PolarHBondContact O-N 2.75Å; Q457-N461 PolarHBondContact O-ND2 3.44Å
458Q89.4Confident88.2Confident80 Ų8056.5 Ų56.537%0.37429%0.291SS..Hα-helixtrans-66.5-45172.9-72.3169.7-8.100111.5R454 T455 Q456 D460 N461 V462R454-Q458 HydrophobicContact CB-CB 4.2Å; T455-Q458 WeakPolarHBondContact O-CB 3.3Å; T455-Q458 PolarHBondContact O-N 3.49Å; T455-Q458 VanDerWaalsContact O-N 3.08Å; T455-Q458 VanDerWaalsContact OG1-CG 3.3Å; T455-Q458 WeakPolarHBondContact OG1-CG 3.35Å; T455-Q458 PolarHBondContact OG1-N 2.92Å; Q456-Q458 VanDerWaalsContact C-N 3.26Å; Q456-Q458 PolarHBondContact O-N 3Å; Q458-D460 VanDerWaalsContact C-N 3.34Å; Q458-D460 PolarHBondContact O-N 3.02Å; Q458-N461 PolarHBondContact O-N 3.34Å; Q458-V462 VanDerWaalsContact O-CG2 3.25Å; Q458-V462 WeakPolarHBondContact O-CG2 3.1Å; Q458-V462 PolarHBondContact O-N 3.31Å
459R86.8Confident87.9Confident41 Ų4157 Ų5716%0.15530%0.303CS..Hα-helixtrans-58.4-46.8175.9-62.1172.6-168.9-165.8-0.4111E253 I450 A452 R454 T455 Q456 V462 V463E253-R459 IonicContact OE1-NH1 2.61Å; E253-R459 PolarHBondContact OE1-NH1 3.21Å; I450-R459 HydrophobicContact CD1-CB 3.93Å; I450-R459 HydrophobicContact CD1-CG 4.11Å; I450-R459 HydrophobicContact CG1-CG 4.21Å; A452-R459 PolarHBondContact O-NH2 3.15Å; R454-R459 HydrophobicContact CB-CG 3.87Å; R454-R459 PolarHBondContact O-NE 2.69Å; T455-R459 WeakPolarHBondContact O-CG 3.43Å; T455-R459 PolarHBondContact O-N 2.97Å; Q456-R459 WeakPolarHBondContact O-CA 3.49Å; Q456-R459 WeakPolarHBondContact O-CB 3.47Å; Q456-R459 PolarHBondContact O-N 2.99Å; R459-V462 PolarHBondContact O-N 3.04Å; R459-V463 WeakPolarHBondContact O-CB 3.49Å; R459-V463 VanDerWaalsContact O-CG2 3.28Å; R459-V463 WeakPolarHBondContact O-CG2 3.46Å; R459-V463 PolarHBondContact O-N 3.21Å
460D84.2Confident87.8Confident69 Ų6963.6 Ų63.637%0.36933%0.332SS..Hα-helixtrans-63.6-44.1-178.6-56-29.4000110.9Q456 Q458 V463 N464Q456-D460 PolarHBondContact NE2-OD1 3.44Å; Q456-D460 PolarHBondContact O-N 3.08Å; Q456-D460 VanDerWaalsContact O-OD2 3.13Å; Q458-D460 VanDerWaalsContact C-N 3.34Å; Q458-D460 PolarHBondContact O-N 3.02Å; D460-V463 PolarHBondContact O-N 3.44Å; D460-N464 VanDerWaalsContact O-CB 3.31Å; D460-N464 WeakPolarHBondContact O-CB 3.21Å; D460-N464 PolarHBondContact O-N 3.4Å; D460-N464 PolarHBondContact O-ND2 3.2Å
461N90.1Very high88Confident93 Ų9364.1 Ų64.150%0.49733%0.334SS..Hα-helixtrans-62.3-41.9175.2-74.2-7.6000112.9Q457 Q458 S465Q457-N461 WeakPolarHBondContact O-CB 3.1Å; Q457-N461 PolarHBondContact O-N 2.75Å; Q457-N461 PolarHBondContact O-ND2 3.44Å; Q458-N461 PolarHBondContact O-N 3.34Å; N461-S465 VanDerWaalsContact O-CB 3.29Å; N461-S465 WeakPolarHBondContact O-CB 3.25Å; N461-S465 PolarHBondContact O-N 3.07Å; N461-S465 PolarHBondContact O-OG 3.27Å
462V91Very high88.2Confident8 Ų866 Ų665%0.04834%0.341CS..Hα-helixtrans-65.3-47.7176.41710000110.7D448 I450 Q458 R459 N464 S465 F466 I471 L474D448-V462 HydrophobicContact CB-CG1 4.25Å; D448-V462 WeakPolarHBondContact OD2-CG2 3.24Å; I450-V462 HydrophobicContact CB-CG1 4.5Å; Q458-V462 VanDerWaalsContact O-CG2 3.25Å; Q458-V462 WeakPolarHBondContact O-CG2 3.1Å; Q458-V462 PolarHBondContact O-N 3.31Å; R459-V462 PolarHBondContact O-N 3.04Å; V462-N464 VanDerWaalsContact C-N 3.33Å; V462-N464 PolarHBondContact O-N 3.48Å; V462-S465 PolarHBondContact O-N 3.42Å; V462-F466 WeakPolarHBondContact O-CB 3.33Å; V462-F466 PolarHBondContact O-N 2.9Å; V462-I471 HydrophobicContact CG1-CD1 4.16Å; V462-L474 HydrophobicContact CG1-CD1 3.52Å
463V87.9Confident88.9Confident9 Ų963.5 Ų63.56%0.05532%0.321CS..Hα-helixtrans-62.5-39.2178.61710000111.6I450 R459 D460 R467 I484 F486I450-V463 HydrophobicContact CD1-CG2 3.87Å; R459-V463 WeakPolarHBondContact O-CB 3.49Å; R459-V463 VanDerWaalsContact O-CG2 3.28Å; R459-V463 WeakPolarHBondContact O-CG2 3.46Å; R459-V463 PolarHBondContact O-N 3.21Å; D460-V463 PolarHBondContact O-N 3.44Å; V463-R467 WeakPolarHBondContact O-CB 3.46Å; V463-R467 VanDerWaalsContact O-CG 3.3Å; V463-R467 WeakPolarHBondContact O-CG 3.1Å; V463-R467 PolarHBondContact O-N 3.41Å; V463-I484 HydrophobicContact CG1-CG2 4.15Å; V463-I484 HydrophobicContact CG2-CD1 4.23Å; V463-I484 HydrophobicContact CG2-CG2 3.88Å; V463-F486 HydrophobicContact CG2-CE1 4.25Å
464N88.5Confident89.3Confident85 Ų8558.1 Ų58.146%0.45530%0.296SS..Hα-helixtrans-71.4-34176.3-69.2-20.1000112.6D460 V462 S468D460-N464 VanDerWaalsContact O-CB 3.31Å; D460-N464 WeakPolarHBondContact O-CB 3.21Å; D460-N464 PolarHBondContact O-N 3.4Å; D460-N464 PolarHBondContact O-ND2 3.2Å; V462-N464 VanDerWaalsContact C-N 3.33Å; V462-N464 PolarHBondContact O-N 3.48Å; N464-S468 WeakPolarHBondContact O-CB 3.47Å; N464-S468 PolarHBondContact O-N 3.19Å; N464-S468 PolarHBondContact O-OG 3.47Å
465S91.4Very high89.8Confident36 Ų3655 Ų5525%0.25228%0.284SS..Hα-helixtrans-70.9-34.8175.1-60.20000112.3N461 V462 S468 G469 K470 I471N461-S465 VanDerWaalsContact O-CB 3.29Å; N461-S465 WeakPolarHBondContact O-CB 3.25Å; N461-S465 PolarHBondContact O-N 3.07Å; N461-S465 PolarHBondContact O-OG 3.27Å; V462-S465 PolarHBondContact O-N 3.42Å; S465-S468 WeakPolarHBondContact CA-OG 2.99Å; S465-S468 PolarHBondContact O-OG 2.67Å; S465-G469 PolarHBondContact O-N 3.07Å; S465-K470 WeakPolarHBondContact O-CB 3.49Å; S465-K470 PolarHBondContact O-N 3.19Å; S465-I471 PolarHBondContact O-N 3.3Å
466F90.7Very high90Very high6 Ų651.4 Ų51.43%0.02626%0.262CS..Hα-helixtrans-67.8-47.7171.2-173.9-115.3000111.8P422 M423 V462 S468 G469 I471 L474 F486 V489P422-F466 HydrophobicContact CB-CD2 4.2Å; P422-F466 HydrophobicContact CB-CE1 4.3Å; P422-F466 HydrophobicContact CB-CE2 3.58Å; P422-F466 HydrophobicContact CB-CZ 3.66Å; P422-F466 HydrophobicContact CG-CZ 4.49Å; M423-F466 WeakPolarHBondContact O-CE2 3.35Å; V462-F466 WeakPolarHBondContact O-CB 3.33Å; V462-F466 PolarHBondContact O-N 2.9Å; F466-S468 PolarHBondContact O-N 2.94Å; F466-G469 PolarHBondContact O-N 2.8Å; F466-I471 HydrophobicContact CB-CB 4.36Å; F466-I471 HydrophobicContact CD2-CB 4.21Å; F466-I471 HydrophobicContact CD2-CG2 4.07Å; F466-I471 WeakPolarHBondContact CD2-O 3.23Å; F466-L474 HydrophobicContact CB-CD2 4.34Å; F466-L474 HydrophobicContact CD1-CD2 3.89Å; F466-L474 HydrophobicContact CD2-CB 3.58Å; F466-L474 HydrophobicContact CD2-CD2 4.25Å; F466-L474 HydrophobicContact CE1-CB 4.39Å; F466-L474 HydrophobicContact CE1-CD2 4.14Å; F466-L474 HydrophobicContact CE2-CB 3.41Å; F466-L474 VanDerWaalsContact CE2-CB 3.41Å; F466-L474 HydrophobicContact CE2-CD2 4.48Å; F466-L474 HydrophobicContact CG-CB 4.14Å; F466-L474 HydrophobicContact CG-CD2 3.93Å; F466-L474 HydrophobicContact CZ-CB 3.83Å; F466-L474 HydrophobicContact CZ-CD2 4.4Å; F466-F486 AromaticContact CD1-CD1 3.69Å; F466-F486 HydrophobicContact CD1-CD1 3.69Å; F466-F486 HydrophobicContact CD1-CE1 4.13Å; F466-F486 HydrophobicContact CE1-CB 4.29Å; F466-F486 AromaticContact CE1-CD1 3.6Å; F466-F486 HydrophobicContact CE1-CD1 3.6Å; F466-F486 HydrophobicContact CE1-CE1 4.21Å; F466-F486 HydrophobicContact CE1-CG 4.19Å; F466-V489 HydrophobicContact CE1-CG2 4.22Å; F466-V489 HydrophobicContact CZ-CG2 4.43Å
467R86.1Confident90.4Very high114 Ų11448.1 Ų48.143%0.4325%0.247SC..Hα-helixtrans-61.4-26.6175.2-76.1174.6-178.6149.50.7114.2V463 D485V463-R467 WeakPolarHBondContact O-CB 3.46Å; V463-R467 VanDerWaalsContact O-CG 3.3Å; V463-R467 WeakPolarHBondContact O-CG 3.1Å; V463-R467 PolarHBondContact O-N 3.41Å; R467-D485 PolarHBondContact NE-O 2.87Å; R467-D485 PolarHBondContact NH2-O 3.34Å
468S89.3Confident89.7Confident69 Ų6942.3 Ų42.348%0.48322%0.223SC..THydrogen-bonded Turntrans-94.513.1176.554.30000113.8N464 S465 F466 K470N464-S468 WeakPolarHBondContact O-CB 3.47Å; N464-S468 PolarHBondContact O-N 3.19Å; N464-S468 PolarHBondContact O-OG 3.47Å; S465-S468 WeakPolarHBondContact CA-OG 2.99Å; S465-S468 PolarHBondContact O-OG 2.67Å; F466-S468 PolarHBondContact O-N 2.94Å; S468-K470 PolarHBondContact O-N 3.48Å; S468-K470 VanDerWaalsContact O-N 3.15Å
469G88.7Confident88.6Confident43 Ų4343.9 Ų43.944%0.44323%0.233SC..THydrogen-bonded Turntrans70.85174.900000115.6S465 F466 I471 W472S465-G469 PolarHBondContact O-N 3.07Å; F466-G469 PolarHBondContact O-N 2.8Å; G469-I471 VanDerWaalsContact C-N 3.31Å; G469-W472 VanDerWaalsContact O-CD1 3.31Å; G469-W472 PolarHBondContact O-NE1 3.48Å
470K91.6Very high87.6Confident143 Ų14342.3 Ų42.362%0.62223%0.228SC*.SBendtrans-72.2-26.9177.3-57.1-180-176.3179.20112.3S465 S468S465-K470 WeakPolarHBondContact O-CB 3.49Å; S465-K470 PolarHBondContact O-N 3.19Å; S468-K470 PolarHBondContact O-N 3.48Å; S468-K470 VanDerWaalsContact O-N 3.15Å
471I93.7Very high86.4Confident12 Ų1239.1 Ų39.16%0.06221%0.211CC..  trans-111.7123.7172-59.3163.2000107D448 V462 S465 F466 G469 V473D448-I471 HydrophobicContact CB-CD1 3.64Å; D448-I471 HydrophobicContact CB-CG1 4.22Å; D448-I471 HydrophobicContact CB-CG2 4.23Å; V462-I471 HydrophobicContact CG1-CD1 4.16Å; S465-I471 PolarHBondContact O-N 3.3Å; F466-I471 HydrophobicContact CB-CB 4.36Å; F466-I471 HydrophobicContact CD2-CB 4.21Å; F466-I471 HydrophobicContact CD2-CG2 4.07Å; F466-I471 WeakPolarHBondContact CD2-O 3.23Å; G469-I471 VanDerWaalsContact C-N 3.31Å; I471-V473 WeakPolarHBondContact CG2-O 3.43Å
472W94.3Very high85.6Confident49 Ų4936.4 Ų36.419%0.18619%0.194CC..SBendtrans-90.4-31178.8-61.1-10.8000112.1F28 F419 P421 M423 N446 G469F28-W472 HydrophobicContact CE2-CH2 4.19Å; F28-W472 HydrophobicContact CE2-CZ3 4.3Å; F28-W472 HydrophobicContact CZ-CZ3 4.42Å; F419-W472 HydrophobicContact CZ-CB 4.41Å; P421-W472 HydrophobicContact CB-CB 3.92Å; P421-W472 HydrophobicContact CB-CG 4.13Å; M423-W472 PolarHBondContact N-O 3.28Å; N446-W472 HydrophobicContact CB-CB 4.29Å; N446-W472 HydrophobicContact CB-CD2 3.9Å; N446-W472 HydrophobicContact CB-CE3 4.28Å; N446-W472 HydrophobicContact CB-CG 3.9Å; N446-W472 VanDerWaalsContact ND2-CE2 3.31Å; N446-W472 VanDerWaalsContact ND2-CZ2 3.28Å; N446-W472 WeakPolarHBondContact ND2-CZ2 3.46Å; N446-W472 PolarHBondContact O-N 3.49Å; G469-W472 VanDerWaalsContact O-CD1 3.31Å; G469-W472 PolarHBondContact O-NE1 3.48Å
473V95.8Very high84.3Confident0 Ų036.1 Ų36.10%019%0.193CC..EExtended strand (participates in β ladder)trans-127.1117.5-178.9-175.50000109.5M411 F419 M423 V425 L440 I445 N446 V447 D448 I471M411-V473 HydrophobicContact CE-CG1 4.21Å; F419-V473 HydrophobicContact CE1-CG2 4.36Å; F419-V473 HydrophobicContact CE2-CG2 4.11Å; F419-V473 HydrophobicContact CZ-CG2 3.55Å; M423-V473 HydrophobicContact CB-CG2 4.38Å; M423-V473 HydrophobicContact CE-CG2 4.34Å; M423-V473 WeakPolarHBondContact O-CA 3.48Å; M423-V473 HydrophobicContact SD-CG1 4.35Å; V425-V473 HydrophobicContact CG2-CG1 3.49Å; V425-V473 VanDerWaalsContact CG2-CG1 3.49Å; L440-V473 HydrophobicContact CD1-CG1 4.25Å; I445-V473 HydrophobicContact CG2-CB 4.39Å; I445-V473 HydrophobicContact CG2-CG2 3.67Å; N446-V473 PolarHBondContact O-N 3.37Å; N446-V473 VanDerWaalsContact O-N 3.09Å; V447-V473 VanDerWaalsContact CA-O 3.26Å; V447-V473 WeakPolarHBondContact CA-O 3.36Å; V447-V473 HydrophobicContact CB-CB 4.3Å; V447-V473 HydrophobicContact CG2-CB 4.07Å; V447-V473 HydrophobicContact CG2-CG1 4.14Å; V447-V473 WeakPolarHBondContact CG2-O 3.42Å; D448-V473 PolarHBondContact N-O 3.31Å; I471-V473 WeakPolarHBondContact CG2-O 3.43Å
474L95Very high83.7Confident0 Ų036.3 Ų36.30%019%0.193CC..EExtended strand (participates in β ladder)trans-107.9115.4174.8178.858.2000110.3M423 L424 V425 I450 V462 F466 F486M423-L474 PolarHBondContact O-N 3.06Å; L424-L474 HydrophobicContact CD1-CB 4.09Å; L424-L474 HydrophobicContact CD1-CD2 4.04Å; L424-L474 HydrophobicContact CD1-CG 4.05Å; V425-L474 PolarHBondContact N-O 3.02Å; I450-L474 HydrophobicContact CB-CD1 4.19Å; I450-L474 HydrophobicContact CG2-CD1 3.84Å; I450-L474 HydrophobicContact CG2-CD2 4.13Å; I450-L474 HydrophobicContact CG2-CG 4.03Å; V462-L474 HydrophobicContact CG1-CD1 3.52Å; F466-L474 HydrophobicContact CB-CD2 4.34Å; F466-L474 HydrophobicContact CD1-CD2 3.89Å; F466-L474 HydrophobicContact CD2-CB 3.58Å; F466-L474 HydrophobicContact CD2-CD2 4.25Å; F466-L474 HydrophobicContact CE1-CB 4.39Å; F466-L474 HydrophobicContact CE1-CD2 4.14Å; F466-L474 HydrophobicContact CE2-CB 3.41Å; F466-L474 VanDerWaalsContact CE2-CB 3.41Å; F466-L474 HydrophobicContact CE2-CD2 4.48Å; F466-L474 HydrophobicContact CG-CB 4.14Å; F466-L474 HydrophobicContact CG-CD2 3.93Å; F466-L474 HydrophobicContact CZ-CB 3.83Å; F466-L474 HydrophobicContact CZ-CD2 4.4Å; L474-F486 HydrophobicContact CD2-CD1 4.27Å; L474-F486 HydrophobicContact CD2-CE1 3.39Å; L474-F486 HydrophobicContact CD2-CZ 3.79Å
475I95.4Very high82.9Confident0 Ų033.2 Ų33.20%018%0.177CC..EExtended strand (participates in β ladder)trans-88.3130.8175.9-53166.9000108.9V425 V427 A433 L436 F437 L440 V447 D448 V449 I450V425-I475 HydrophobicContact CB-CG1 4.26Å; V425-I475 WeakPolarHBondContact O-CA 3.39Å; V427-I475 HydrophobicContact CG1-CG2 4.12Å; V427-I475 HydrophobicContact CG2-CG2 3.77Å; A433-I475 HydrophobicContact CB-CG2 3.92Å; L436-I475 HydrophobicContact CB-CD1 4.12Å; L436-I475 HydrophobicContact CD2-CD1 4.12Å; L436-I475 HydrophobicContact CD2-CG1 4.43Å; L436-I475 HydrophobicContact CG-CD1 3.89Å; F437-I475 HydrophobicContact CB-CD1 3.97Å; L440-I475 HydrophobicContact CD1-CD1 4.31Å; V447-I475 HydrophobicContact CG2-CD1 3.69Å; V447-I475 HydrophobicContact CG2-CG1 3.97Å; D448-I475 PolarHBondContact O-N 3.47Å; V449-I475 WeakPolarHBondContact CA-O 3.19Å; V449-I475 HydrophobicContact CG2-CB 4.34Å; V449-I475 HydrophobicContact CG2-CD1 4.46Å; I450-I475 PolarHBondContact N-O 3.05Å
476C92.6Very high82.1Confident0 Ų031.5 Ų31.50%017%0.165CC..EExtended strand (participates in β ladder)trans-141.1154.3-177.465.60000112.7V425 F426 V427 I450V425-C476 PolarHBondContact O-N 3.04Å; V425-C476 PolarHBondContact O-SG 3.36Å; F426-C476 VanDerWaalsContact CD1-SG 3.54Å; F426-C476 WeakPolarHBondContact CE1-SG 3.29Å; V427-C476 PolarHBondContact N-O 3.16Å; V427-C476 VanDerWaalsContact N-O 3.09Å; I450-C476 HydrophobicContact CG2-CB 3.51Å
477T88.8Confident81.1Confident15 Ų1538.7 Ų38.79%0.09220%0.196CC..EExtended strand (participates in β ladder)trans-90.3147.1164.861.70000110.2V427 I430 L479 L480V427-T477 HydrophobicContact CG2-CG2 4.47Å; I430-T477 HydrophobicContact CG1-CG2 4.26Å; T477-L479 PolarHBondContact O-N 3.48Å; T477-L480 PolarHBondContact O-N 2.91Å
478A71.6Confident80.7Confident16 Ų1635.7 Ų35.713%0.13220%0.201CC..THydrogen-bonded Turntrans-62.1-13.6-170.900000115.8F426 R482 E503F426-A478 HydrophobicContact CD1-CB 4.29Å; A478-R482 WeakPolarHBondContact O-CG 3.5Å; A478-R482 PolarHBondContact O-NE 2.93Å; A478-E503 HydrophobicContact CB-CG 4.25Å; A478-E503 WeakPolarHBondContact CB-OE1 3.46Å
479L66.8Low80.7Confident114 Ų11432.7 Ų32.760%0.59718%0.179SC*.THydrogen-bonded Turntrans-78.8-30.5174.6-173.1138.7000112.7T477T477-L479 PolarHBondContact O-N 3.48Å
480L66.7Low80.8Confident7 Ų733.9 Ų33.94%0.03718%0.175CC..THydrogen-bonded Turntrans-97.7-20-174.5-86.6-179.1000115.7I450 H451 A452 T477 R482 I484I450-L480 HydrophobicContact CG1-CD1 4.28Å; H451-L480 WeakPolarHBondContact O-CD1 3.44Å; A452-L480 VanDerWaalsContact N-CD1 3.33Å; T477-L480 PolarHBondContact O-N 2.91Å; L480-R482 PolarHBondContact O-N 3.22Å; L480-I484 WeakPolarHBondContact O-CD1 3.47Å; L480-I484 WeakPolarHBondContact O-CG1 3.35Å
481A59Low80.9Confident2 Ų227.7 Ų27.72%0.01715%0.149CC..SBendtrans-68.6-12170.900000112.9F426 F486 R510F426-A481 HydrophobicContact CE1-CB 3.4Å; F426-A481 VanDerWaalsContact CE1-CB 3.4Å; F426-A481 HydrophobicContact CZ-CB 3.52Å; A481-F486 HydrophobicContact CB-CE2 4.05Å; A481-R510 VanDerWaalsContact O-CZ 3.28Å; A481-R510 PolarHBondContact O-NH1 2.79Å
482R71.9Confident80.9Confident36 Ų3627.1 Ų27.114%0.13615%0.146CC..SBendtrans-73.1133.4177.3-60.2171.8-175.8-157.1-11.8109.8T251 E333 A478 L480 I484T251-R482 HydrophobicContact CG2-CB 4.02Å; T251-R482 PolarHBondContact OG1-O 2.82Å; E333-R482 IonicContact OE1-NH2 2.87Å; E333-R482 PolarHBondContact OE1-NH2 2.82Å; E333-R482 IonicContact OE2-CZ 3.61Å; E333-R482 IonicContact OE2-NH1 3.73Å; E333-R482 PolarHBondContact OE2-NH1 2.9Å; E333-R482 IonicContact OE2-NH2 3.88Å; E333-R482 PolarHBondContact OE2-NH2 3.05Å; A478-R482 WeakPolarHBondContact O-CG 3.5Å; A478-R482 PolarHBondContact O-NE 2.93Å; L480-R482 PolarHBondContact O-N 3.22Å; R482-I484 PolarHBondContact O-N 2.74Å; R482-I484 VanDerWaalsContact O-N 3.07Å
483G64.3Low81Confident3 Ų324.8 Ų24.83%0.03114%0.138CC..SBendtrans70-15.4-173.300000117E253 D485E253-G483 CarbonylContact C-O 3.53Å; G483-D485 PolarHBondContact O-N 2.94Å
484I75.4Confident81.1Confident12 Ų1224.8 Ų24.86%0.06214%0.138CC..  trans-79.3119.8170.5-55.1-177.3000109.3E253 I450 V463 L480 R482 F486 R510E253-I484 HydrophobicContact CB-CG1 4.11Å; E253-I484 HydrophobicContact CG-CG1 4Å; I450-I484 HydrophobicContact CD1-CD1 3.53Å; V463-I484 HydrophobicContact CG1-CG2 4.15Å; V463-I484 HydrophobicContact CG2-CD1 4.23Å; V463-I484 HydrophobicContact CG2-CG2 3.88Å; L480-I484 WeakPolarHBondContact O-CD1 3.47Å; L480-I484 WeakPolarHBondContact O-CG1 3.35Å; R482-I484 PolarHBondContact O-N 2.74Å; R482-I484 VanDerWaalsContact O-N 3.07Å; I484-F486 HydrophobicContact CB-CD2 4.39Å; I484-F486 HydrophobicContact CB-CE1 4.36Å; I484-F486 HydrophobicContact CB-CE2 3.83Å; I484-F486 HydrophobicContact CB-CZ 3.82Å; I484-F486 HydrophobicContact CD1-CZ 4.24Å; I484-F486 HydrophobicContact CG2-CD1 3.86Å; I484-F486 HydrophobicContact CG2-CD2 4.18Å; I484-F486 HydrophobicContact CG2-CE1 3.44Å; I484-F486 VanDerWaalsContact CG2-CE1 3.44Å; I484-F486 HydrophobicContact CG2-CE2 3.79Å; I484-F486 HydrophobicContact CG2-CG 4.22Å; I484-F486 HydrophobicContact CG2-CZ 3.41Å; I484-F486 VanDerWaalsContact CG2-CZ 3.41Å; I484-F486 PolarHBondContact O-N 3.32Å; I484-R510 PolarHBondContact O-NH1 3.3Å
485D71.1Confident81.2Confident20 Ų2024.9 Ų24.911%0.10714%0.138CC..  trans-82.993174.1-17141.5000110.6R467 G483 K487 R513R467-D485 PolarHBondContact NE-O 2.87Å; R467-D485 PolarHBondContact NH2-O 3.34Å; G483-D485 PolarHBondContact O-N 2.94Å; D485-K487 PolarHBondContact O-N 3Å; D485-K487 WeakPolarHBondContact OD2-CE 3.41Å; D485-K487 VanDerWaalsContact OD2-CG 3.26Å; D485-K487 WeakPolarHBondContact OD2-CG 3.25Å; D485-R513 IonicContact OD1-NH1 2.73Å; D485-R513 PolarHBondContact OD1-NH1 3.1Å
486F75.8Confident81.2Confident1 Ų124.9 Ų24.90%0.00414%0.138CC..  trans-87.292.1168.4-55.7-68.1000108.8L424 V463 F466 L474 A481 I484 V489L424-F486 HydrophobicContact CD1-CD2 4.26Å; L424-F486 HydrophobicContact CD1-CE1 4.46Å; L424-F486 HydrophobicContact CD1-CE2 3.93Å; L424-F486 HydrophobicContact CD1-CZ 4.03Å; L424-F486 HydrophobicContact CD2-CD2 3.72Å; L424-F486 HydrophobicContact CD2-CE2 3.9Å; L424-F486 HydrophobicContact CD2-CG 4.47Å; V463-F486 HydrophobicContact CG2-CE1 4.25Å; F466-F486 AromaticContact CD1-CD1 3.69Å; F466-F486 HydrophobicContact CD1-CD1 3.69Å; F466-F486 HydrophobicContact CD1-CE1 4.13Å; F466-F486 HydrophobicContact CE1-CB 4.29Å; F466-F486 AromaticContact CE1-CD1 3.6Å; F466-F486 HydrophobicContact CE1-CD1 3.6Å; F466-F486 HydrophobicContact CE1-CE1 4.21Å; F466-F486 HydrophobicContact CE1-CG 4.19Å; L474-F486 HydrophobicContact CD2-CD1 4.27Å; L474-F486 HydrophobicContact CD2-CE1 3.39Å; L474-F486 HydrophobicContact CD2-CZ 3.79Å; A481-F486 HydrophobicContact CB-CE2 4.05Å; I484-F486 HydrophobicContact CB-CD2 4.39Å; I484-F486 HydrophobicContact CB-CE1 4.36Å; I484-F486 HydrophobicContact CB-CE2 3.83Å; I484-F486 HydrophobicContact CB-CZ 3.82Å; I484-F486 HydrophobicContact CD1-CZ 4.24Å; I484-F486 HydrophobicContact CG2-CD1 3.86Å; I484-F486 HydrophobicContact CG2-CD2 4.18Å; I484-F486 HydrophobicContact CG2-CE1 3.44Å; I484-F486 VanDerWaalsContact CG2-CE1 3.44Å; I484-F486 HydrophobicContact CG2-CE2 3.79Å; I484-F486 HydrophobicContact CG2-CG 4.22Å; I484-F486 HydrophobicContact CG2-CZ 3.41Å; I484-F486 VanDerWaalsContact CG2-CZ 3.41Å; I484-F486 PolarHBondContact O-N 3.32Å; F486-V489 HydrophobicContact CB-CG2 3.45Å; F486-V489 VanDerWaalsContact CB-CG2 3.45Å; F486-V489 HydrophobicContact CG-CG2 4.42Å
487K69.9Low81.2Confident157 Ų15725 Ų2568%0.68314%0.139SC*.THydrogen-bonded Turntrans-72.1139.8172.8-60.5-168177.2-169.90109.7D485 V489D485-K487 PolarHBondContact O-N 3Å; D485-K487 WeakPolarHBondContact OD2-CE 3.41Å; D485-K487 VanDerWaalsContact OD2-CG 3.26Å; D485-K487 WeakPolarHBondContact OD2-CG 3.25Å; K487-V489 PolarHBondContact O-N 2.97Å
488G76.6Confident81.4Confident51 Ų5124.3 Ų24.353%0.52613%0.134SC..THydrogen-bonded Turntrans67.927.9172.500000115.9P422 N490P422-G488 VanDerWaalsContact CD-O 3.28Å; P422-G488 WeakPolarHBondContact CD-O 3.39Å; P422-G488 VanDerWaalsContact CG-O 3.28Å; P422-G488 WeakPolarHBondContact CG-O 3.47Å; G488-N490 PolarHBondContact O-N 2.94Å
489V89.2Confident82.2Confident5 Ų525 Ų253%0.0314%0.136CC..  trans-66.4119.8167.9179.40000108.6L424 F466 F486 K487 L491 V492 T511L424-V489 HydrophobicContact CB-CG1 3.88Å; L424-V489 HydrophobicContact CB-CG2 4.46Å; F466-V489 HydrophobicContact CE1-CG2 4.22Å; F466-V489 HydrophobicContact CZ-CG2 4.43Å; F486-V489 HydrophobicContact CB-CG2 3.45Å; F486-V489 VanDerWaalsContact CB-CG2 3.45Å; F486-V489 HydrophobicContact CG-CG2 4.42Å; K487-V489 PolarHBondContact O-N 2.97Å; V489-L491 WeakPolarHBondContact CG1-O 3.32Å; V489-V492 HydrophobicContact CG1-CG2 3.97Å; V489-T511 WeakPolarHBondContact O-CB 3.43Å; V489-T511 PolarHBondContact O-OG1 2.85Å
490N91.1Very high83.2Confident68 Ų6820.1 Ų20.136%0.36411%0.112SC..  trans-86.2-36.3-179.1-73.4-33.7000111.9L420 P421 P422 G488 K519L420-N490 HydrophobicContact CB-CB 4.07Å; L420-N490 WeakPolarHBondContact O-CB 3.3Å; P421-N490 PolarHBondContact O-ND2 2.86Å; P422-N490 PolarHBondContact O-N 2.86Å; P422-N490 VanDerWaalsContact O-N 3.08Å; G488-N490 PolarHBondContact O-N 2.94Å; N490-K519 PolarHBondContact O-N 3.13Å; N490-K519 VanDerWaalsContact O-N 3.11Å
491L93.7Very high84.2Confident14 Ų1420.8 Ų20.87%0.07312%0.118CC..EExtended strand (participates in β ladder)trans-132.5125.3-179.9177.157.8000111.7I414 F419 M423 L424 V489 K519 I521I414-L491 HydrophobicContact CG2-CD2 4.34Å; F419-L491 HydrophobicContact CB-CD2 4.08Å; M423-L491 CarbonylContact C-O 3.59Å; M423-L491 VanDerWaalsContact CA-O 3.26Å; M423-L491 WeakPolarHBondContact CA-O 3.22Å; M423-L491 HydrophobicContact CE-CD2 4.04Å; M423-L491 HydrophobicContact CG-CB 4.05Å; M423-L491 HydrophobicContact CG-CD2 4.13Å; M423-L491 HydrophobicContact CG-CG 3.92Å; M423-L491 WeakPolarHBondContact CG-O 3.36Å; M423-L491 HydrophobicContact SD-CD2 4.37Å; L424-L491 PolarHBondContact N-O 3.09Å; V489-L491 WeakPolarHBondContact CG1-O 3.32Å; L491-K519 CarbonylContact C-O 3.3Å; L491-K519 WeakPolarHBondContact CA-O 3.45Å; L491-K519 HydrophobicContact CD1-CB 4.03Å; L491-K519 HydrophobicContact CD1-CG 3.95Å; L491-I521 HydrophobicContact CD1-CB 4.5Å; L491-I521 HydrophobicContact CD1-CD1 3.95Å; L491-I521 HydrophobicContact CD1-CG1 3.95Å; L491-I521 HydrophobicContact CD2-CD1 4.41Å
492V94.6Very high85.5Confident0 Ų022 Ų220%013%0.125CC..EExtended strand (participates in β ladder)trans-98.7131165.1174.40000109L424 F426 V489 R510 T511 K519 A520 I521L424-V492 WeakPolarHBondContact O-CA 3.42Å; F426-V492 HydrophobicContact CD2-CG1 3.84Å; F426-V492 HydrophobicContact CE2-CG1 3.84Å; V489-V492 HydrophobicContact CG1-CG2 3.97Å; V492-R510 HydrophobicContact CG2-CB 4.28Å; V492-T511 HydrophobicContact CB-CG2 4.41Å; V492-T511 HydrophobicContact CG2-CG2 3.78Å; V492-K519 PolarHBondContact N-O 3.33Å; V492-A520 HydrophobicContact CB-CB 4.41Å; V492-A520 CarbonylContact O-C 3.54Å; V492-A520 VanDerWaalsContact O-CA 3.29Å; V492-A520 WeakPolarHBondContact O-CA 3.5Å; V492-I521 PolarHBondContact O-N 3.34Å
493L96.8Very high86.2Confident0 Ų021.1 Ų21.10%012%0.123CC..EExtended strand (participates in β ladder)trans-117.3114173.4176.161.2000110.7M411 I414 M423 L424 V425 F426 Y495 I521 F523M411-L493 HydrophobicContact CE-CD2 4.07Å; M411-L493 HydrophobicContact SD-CD2 3.3Å; M411-L493 WeakPolarHBondContact SD-CD2 3.36Å; I414-L493 HydrophobicContact CD1-CD1 4.38Å; M423-L493 HydrophobicContact SD-CB 4.14Å; M423-L493 HydrophobicContact SD-CD2 4.33Å; L424-L493 PolarHBondContact O-N 2.87Å; V425-L493 CarbonylContact C-O 3.43Å; V425-L493 WeakPolarHBondContact CA-O 3.48Å; V425-L493 HydrophobicContact CG1-CB 4.49Å; V425-L493 HydrophobicContact CG1-CD2 4.26Å; V425-L493 HydrophobicContact CG1-CG 4.4Å; V425-L493 HydrophobicContact CG2-CB 4.28Å; V425-L493 HydrophobicContact CG2-CD2 4.38Å; F426-L493 PolarHBondContact N-O 3.33Å; L493-Y495 PolarHBondContact O-N 2.96Å; L493-Y495 VanDerWaalsContact O-N 3.16Å; L493-I521 WeakPolarHBondContact CA-O 3.48Å; L493-I521 HydrophobicContact CD1-CB 3.96Å; L493-I521 HydrophobicContact CD1-CG2 3.86Å; L493-F523 HydrophobicContact CD1-CD1 3.96Å; L493-F523 HydrophobicContact CD1-CD2 4.36Å; L493-F523 HydrophobicContact CD1-CE1 3.64Å; L493-F523 HydrophobicContact CD1-CE2 4.07Å; L493-F523 HydrophobicContact CD1-CG 4.33Å; L493-F523 HydrophobicContact CD1-CZ 3.71Å; L493-F523 HydrophobicContact CD2-CE2 4.2Å; L493-F523 HydrophobicContact CD2-CZ 4.14Å
494N96.9Very high87.4Confident0 Ų021 Ų210%012%0.122CC..EExtended strand (participates in β ladder)trans-81.686.3164.3-64.8-60.7000109D496 R507 I521 T522 F523N494-D496 VanDerWaalsContact C-N 3.35Å; N494-R507 WeakPolarHBondContact OD1-CD 3.43Å; N494-R507 PolarHBondContact OD1-NH1 3.16Å; N494-I521 PolarHBondContact N-O 3.01Å; N494-T522 HydrophobicContact CB-CG2 3.8Å; N494-T522 PolarHBondContact ND2-OG1 3.25Å; N494-F523 PolarHBondContact O-N 3.38Å
495Y96.9Very high88.1Confident1 Ų120.6 Ų20.60%0.00412%0.12CC..SBendtrans-67.1-38.8176.3-175.2-80.2000111K407 L408 M411 F426 V427 L436 L493 F523 I574K407-Y495 HydrophobicContact CB-CD1 4.45Å; K407-Y495 HydrophobicContact CB-CD2 4.45Å; K407-Y495 HydrophobicContact CB-CE1 3.79Å; K407-Y495 HydrophobicContact CB-CE2 3.8Å; K407-Y495 VanDerWaalsContact CB-CZ 3.43Å; K407-Y495 WeakPolarHBondContact CB-OH 3.5Å; K407-Y495 HydrophobicContact CD-CD1 4.12Å; K407-Y495 HydrophobicContact CD-CE1 3.8Å; K407-Y495 VanDerWaalsContact CD-O 3.28Å; K407-Y495 WeakPolarHBondContact CD-O 3.47Å; K407-Y495 WeakPolarHBondContact CE-O 3.45Å; K407-Y495 HydrophobicContact CG-CE1 4.4Å; K407-Y495 WeakPolarHBondContact O-CE2 3.47Å; L408-Y495 PolarHBondContact N-OH 3.19Å; M411-Y495 HydrophobicContact CB-CD2 4.4Å; M411-Y495 HydrophobicContact CB-CE2 4.08Å; F426-Y495 PolarHBondContact O-N 3.06Å; F426-Y495 VanDerWaalsContact O-N 3.09Å; V427-Y495 HydrophobicContact CG1-CD1 4.11Å; V427-Y495 HydrophobicContact CG1-CG 4.36Å; L436-Y495 HydrophobicContact CD1-CD2 4.33Å; L436-Y495 HydrophobicContact CD1-CE2 3.77Å; L436-Y495 HydrophobicContact CD2-CD1 4.35Å; L436-Y495 HydrophobicContact CD2-CD2 3.87Å; L436-Y495 HydrophobicContact CD2-CE2 4.1Å; L436-Y495 HydrophobicContact CD2-CG 4Å; L493-Y495 PolarHBondContact O-N 2.96Å; L493-Y495 VanDerWaalsContact O-N 3.16Å; Y495-F523 AromaticContact CD2-CD2 3.97Å; Y495-F523 HydrophobicContact CD2-CD2 3.97Å; Y495-F523 AromaticContact CD2-CE2 3.79Å; Y495-F523 HydrophobicContact CD2-CE2 3.79Å; Y495-F523 HydrophobicContact CE2-CD2 4.47Å; Y495-F523 HydrophobicContact CE2-CE2 4.2Å; Y495-F523 HydrophobicContact CG-CD2 4.31Å; Y495-I574 HydrophobicContact CD1-CD1 4.23Å; Y495-I574 HydrophobicContact CE1-CD1 3.4Å; Y495-I574 HydrophobicContact CE1-CG1 4.08Å; Y495-I574 WeakPolarHBondContact OH-CG2 3.42Å
496D95.1Very high88.7Confident0 Ų019.9 Ų19.90%012%0.116CC..SBendtrans-105.2132.7164.2-71.4-45.6000111.4K407 F426 V427 Q428 R432 N494 R507K407-D496 IonicContact NZ-OD1 3.23Å; K407-D496 PolarHBondContact NZ-OD1 3.23Å; F426-D496 PolarHBondContact O-N 3.33Å; F426-D496 VanDerWaalsContact O-N 3.13Å; V427-D496 WeakPolarHBondContact CA-OD2 3.45Å; Q428-D496 HydrophobicContact CB-CB 3.84Å; Q428-D496 WeakPolarHBondContact CB-OD2 3.48Å; Q428-D496 PolarHBondContact N-OD2 3.06Å; R432-D496 IonicContact CZ-OD1 2.82Å; R432-D496 IonicContact CZ-OD2 2.72Å; R432-D496 IonicContact NE-OD1 3.62Å; R432-D496 PolarHBondContact NE-OD1 3.23Å; R432-D496 IonicContact NE-OD2 2.77Å; R432-D496 PolarHBondContact NE-OD2 3.02Å; R432-D496 IonicContact NH2-OD1 2.7Å; R432-D496 PolarHBondContact NH2-OD1 3.03Å; R432-D496 IonicContact NH2-OD2 2.84Å; N494-D496 VanDerWaalsContact C-N 3.35Å; D496-R507 PolarHBondContact O-NH1 2.93Å
497F94.1Very high89.4Confident4 Ų420.2 Ų20.22%0.01812%0.117CC..  trans-57.7137-178.1-158.2-105000111.8L398 T522 F524 D528 L531 L532 I535L398-F497 HydrophobicContact CD2-CE2 3.8Å; F497-T522 HydrophobicContact CD2-CG2 3.65Å; F497-T522 HydrophobicContact CE2-CG2 3.69Å; F497-F524 HydrophobicContact CD2-CB 3.55Å; F497-F524 HydrophobicContact CE2-CB 3.76Å; F497-F524 HydrophobicContact CG-CB 4.35Å; F497-D528 HydrophobicContact CB-CB 4.01Å; F497-D528 WeakPolarHBondContact CB-OD1 3.22Å; F497-D528 HydrophobicContact CD1-CB 3.89Å; F497-D528 HydrophobicContact CD2-CB 4.39Å; F497-D528 HydrophobicContact CE1-CB 4.5Å; F497-D528 HydrophobicContact CG-CB 3.83Å; F497-L531 HydrophobicContact CD1-CB 4.05Å; F497-L531 HydrophobicContact CD1-CD1 4.44Å; F497-L531 HydrophobicContact CE1-CB 3.7Å; F497-L532 HydrophobicContact CE2-CD1 4.01Å; F497-L532 HydrophobicContact CZ-CD1 3.83Å; F497-I535 HydrophobicContact CD1-CD1 4.28Å; F497-I535 HydrophobicContact CE1-CD1 3.52Å; F497-I535 HydrophobicContact CE2-CD1 4.37Å; F497-I535 HydrophobicContact CZ-CB 4.09Å; F497-I535 HydrophobicContact CZ-CD1 3.56Å; F497-I535 HydrophobicContact CZ-CG1 4.42Å; F497-I535 HydrophobicContact CZ-CG2 4.31Å
498P92.3Very high90.3Very high0 Ų012.8 Ų12.80%09%0.085CC..  trans-66.7146.9178.8-10.422.4000112.4S500 E503 Y504 I535P498-S500 VanDerWaalsContact C-N 3.33Å; P498-E503 HydrophobicContact CB-CB 4.33Å; P498-E503 HydrophobicContact CB-CG 4.48Å; P498-Y504 HydrophobicContact CG-CD2 3.74Å; P498-Y504 HydrophobicContact CG-CG 4.24Å; P498-I535 HydrophobicContact CB-CD1 3.95Å; P498-I535 HydrophobicContact CG-CD1 3.82Å
499T88.7Confident90.7Very high29 Ų2910.4 Ų10.418%0.1786%0.061CC..SBendtrans-76.3-22.2179.865.30000113E503 P568T499-E503 WeakPolarHBondContact CB-OE2 3.43Å; T499-E503 PolarHBondContact N-OE2 2.8Å; T499-E503 PolarHBondContact OG1-OE2 2.77Å; T499-P568 HydrophobicContact CG2-CB 3.94Å; T499-P568 HydrophobicContact CG2-CG 4.43Å
500S87.2Confident90.6Very high13 Ų1310.4 Ų10.49%0.0916%0.06CC..SBendtrans-149157.117871.30000112.5P498 V502 E503 Y504P498-S500 VanDerWaalsContact C-N 3.33Å; S500-V502 PolarHBondContact O-N 3.48Å; S500-E503 WeakPolarHBondContact O-CB 2.9Å; S500-E503 PolarHBondContact O-N 2.72Å; S500-E503 VanDerWaalsContact O-N 3.16Å; S500-E503 WeakPolarHBondContact OG-CB 3.44Å; S500-E503 PolarHBondContact OG-N 2.73Å; S500-Y504 PolarHBondContact O-N 3.13Å
501A87.9Confident90.5Very high20 Ų207.3 Ų7.317%0.1654%0.044CC..Hα-helixtrans-57.3-35.2171.300000112.9Y504 I505 V538A501-Y504 WeakPolarHBondContact O-CB 3.38Å; A501-Y504 PolarHBondContact O-N 3.09Å; A501-I505 WeakPolarHBondContact O-CD1 3.32Å; A501-I505 VanDerWaalsContact O-CG1 3.26Å; A501-I505 WeakPolarHBondContact O-CG1 3.19Å; A501-I505 PolarHBondContact O-N 2.68Å; A501-V538 HydrophobicContact CB-CG2 3.91Å
502V85.4Confident89.7Confident27 Ų277 Ų716%0.1644%0.043CC..Hα-helixtrans-68.7-39177.6177.80000110.5D329 T363 T365 S500 H506D329-V502 HydrophobicContact CB-CG1 4.5Å; T363-V502 HydrophobicContact CG2-CB 4.38Å; T363-V502 HydrophobicContact CG2-CG1 4Å; T363-V502 HydrophobicContact CG2-CG2 4.17Å; T363-V502 WeakPolarHBondContact OG1-CG1 3.46Å; T365-V502 HydrophobicContact CG2-CG2 4.19Å; S500-V502 PolarHBondContact O-N 3.48Å; V502-H506 PolarHBondContact O-CD2 3.47Å; V502-H506 PolarHBondContact O-N 2.65Å
503E87.3Confident88.9Confident18 Ų189 Ų98%0.0845%0.051CC..Hα-helixtrans-63.3-46.7171.1-166.5-167.7168.600111.3A478 P498 T499 S500 I505 H506 R507A478-E503 HydrophobicContact CB-CG 4.25Å; A478-E503 WeakPolarHBondContact CB-OE1 3.46Å; P498-E503 HydrophobicContact CB-CB 4.33Å; P498-E503 HydrophobicContact CB-CG 4.48Å; T499-E503 WeakPolarHBondContact CB-OE2 3.43Å; T499-E503 PolarHBondContact N-OE2 2.8Å; T499-E503 PolarHBondContact OG1-OE2 2.77Å; S500-E503 WeakPolarHBondContact O-CB 2.9Å; S500-E503 PolarHBondContact O-N 2.72Å; S500-E503 VanDerWaalsContact O-N 3.16Å; S500-E503 WeakPolarHBondContact OG-CB 3.44Å; S500-E503 PolarHBondContact OG-N 2.73Å; E503-I505 PolarHBondContact O-N 2.97Å; E503-H506 WeakPolarHBondContact O-CB 3.42Å; E503-H506 PolarHBondContact O-N 2.79Å; E503-R507 HydrophobicContact CG-CG 4.46Å; E503-R507 WeakPolarHBondContact O-CG 3.44Å; E503-R507 PolarHBondContact O-N 3.49Å; E503-R507 IonicContact OE1-CZ 3.32Å; E503-R507 IonicContact OE1-NE 3.66Å; E503-R507 PolarHBondContact OE1-NE 3.1Å; E503-R507 IonicContact OE1-NH2 3.59Å; E503-R507 PolarHBondContact OE1-NH2 3.47Å; E503-R507 IonicContact OE2-NH2 2.71Å
504Y90.6Very high87.4Confident0 Ų013.5 Ų13.50%09%0.088CC..Hα-helixtrans-53.3-53.7178.5178-116.8000112.7Q396 P498 S500 A501 H506 R507 I508 T522 I535 V538 I539Q396-Y504 WeakPolarHBondContact CG-OH 3.5Å; Q396-Y504 PolarHBondContact OE1-OH 3.24Å; P498-Y504 HydrophobicContact CG-CD2 3.74Å; P498-Y504 HydrophobicContact CG-CG 4.24Å; S500-Y504 PolarHBondContact O-N 3.13Å; A501-Y504 WeakPolarHBondContact O-CB 3.38Å; A501-Y504 PolarHBondContact O-N 3.09Å; Y504-H506 VanDerWaalsContact C-N 3.26Å; Y504-H506 PolarHBondContact O-N 3.3Å; Y504-R507 WeakPolarHBondContact O-CB 3.44Å; Y504-R507 PolarHBondContact O-N 3.33Å; Y504-R507 VanDerWaalsContact O-N 3.08Å; Y504-I508 HydrophobicContact CD1-CD1 4.16Å; Y504-I508 HydrophobicContact CD2-CG2 3.96Å; Y504-I508 HydrophobicContact CE1-CD1 3.69Å; Y504-I508 HydrophobicContact CE2-CD1 4.5Å; Y504-I508 HydrophobicContact CE2-CG2 3.58Å; Y504-I508 PolarHBondContact O-N 3.32Å; Y504-T522 WeakPolarHBondContact CE2-OG1 3.13Å; Y504-I535 HydrophobicContact CD1-CG1 4.2Å; Y504-I535 HydrophobicContact CD1-CG2 3.85Å; Y504-I535 HydrophobicContact CD2-CG2 4.11Å; Y504-I535 HydrophobicContact CE1-CG2 3.81Å; Y504-I535 HydrophobicContact CE2-CG2 4.05Å; Y504-I535 HydrophobicContact CG-CD1 4.36Å; Y504-I535 HydrophobicContact CG-CG1 4Å; Y504-I535 HydrophobicContact CG-CG2 3.99Å; Y504-V538 HydrophobicContact CD1-CB 4.39Å; Y504-V538 HydrophobicContact CD1-CG1 4.13Å; Y504-V538 HydrophobicContact CE1-CB 4.45Å; Y504-V538 HydrophobicContact CE1-CG1 4.15Å; Y504-I539 HydrophobicContact CE1-CD1 4.32Å; Y504-I539 HydrophobicContact CE1-CG1 3.84Å; Y504-I539 VanDerWaalsContact OH-CD1 3.3Å; Y504-I539 WeakPolarHBondContact OH-CD1 3.49Å; Y504-I539 WeakPolarHBondContact OH-CG1 3.48Å
505I88.1Confident86Confident4 Ų416.4 Ų16.42%0.02112%0.118CC..Hα-helixtrans-56.6-40.2179.1-65.8158.6000111.3T363 N388 A501 E503 G509 V538T363-I505 HydrophobicContact CG2-CD1 3.94Å; T363-I505 HydrophobicContact CG2-CG2 4.47Å; N388-I505 HydrophobicContact CB-CD1 4.47Å; N388-I505 WeakPolarHBondContact O-CD1 3.45Å; A501-I505 WeakPolarHBondContact O-CD1 3.32Å; A501-I505 VanDerWaalsContact O-CG1 3.26Å; A501-I505 WeakPolarHBondContact O-CG1 3.19Å; A501-I505 PolarHBondContact O-N 2.68Å; E503-I505 PolarHBondContact O-N 2.97Å; I505-G509 PolarHBondContact O-N 2.95Å; I505-V538 HydrophobicContact CD1-CG1 4.21Å; I505-V538 HydrophobicContact CD1-CG2 4.37Å; I505-V538 HydrophobicContact CG1-CG1 3.89Å
506H84.9Confident85.1Confident6 Ų623 Ų233%0.02815%0.148CC..Hα-helixtrans-70.9-29.6179.7-81.6-122.6000113.9E327 D329 K330 A362 V502 E503 Y504 R510E327-H506 IonicContact OE2-CE1 2.99Å; D329-H506 IonicContact OD1-CE1 3.03Å; D329-H506 PolarHBondContact OD1-CE1 3.27Å; D329-H506 IonicContact OD1-NE2 3.19Å; D329-H506 PolarHBondContact OD1-NE2 3.39Å; D329-H506 IonicContact OD2-CE1 2.6Å; D329-H506 IonicContact OD2-NE2 3.1Å; D329-H506 PolarHBondContact OD2-NE2 3.24Å; K330-H506 WeakPolarHBondContact CD-CE1 3.14Å; K330-H506 WeakPolarHBondContact CD-ND1 3.42Å; K330-H506 WeakPolarHBondContact CE-CE1 3.3Å; K330-H506 WeakPolarHBondContact CE-ND1 3Å; K330-H506 WeakPolarHBondContact CG-CE1 3.41Å; K330-H506 PolarHBondContact NZ-ND1 2.81Å; A362-H506 WeakPolarHBondContact CB-NE2 3.43Å; V502-H506 PolarHBondContact O-CD2 3.47Å; V502-H506 PolarHBondContact O-N 2.65Å; E503-H506 WeakPolarHBondContact O-CB 3.42Å; E503-H506 PolarHBondContact O-N 2.79Å; Y504-H506 VanDerWaalsContact C-N 3.26Å; Y504-H506 PolarHBondContact O-N 3.3Å; H506-R510 PolarHBondContact O-NE 2.79Å; H506-R510 VanDerWaalsContact O-NE 3.07Å
507R89.7Confident84.6Confident7 Ų729.6 Ų29.63%0.02618%0.179CC..Hα-helixtrans-76.1-48.8174.9-67.4-176.1-174.5-171.62.9111.4F426 N494 D496 E503 Y504 R510F426-R507 HydrophobicContact CD1-CB 4.43Å; F426-R507 HydrophobicContact CD1-CG 3.72Å; F426-R507 HydrophobicContact CD2-CB 3.82Å; F426-R507 HydrophobicContact CD2-CG 4Å; F426-R507 HydrophobicContact CE1-CB 4.22Å; F426-R507 HydrophobicContact CE1-CG 3.68Å; F426-R507 HydrophobicContact CE2-CB 3.58Å; F426-R507 HydrophobicContact CE2-CG 3.96Å; F426-R507 HydrophobicContact CG-CB 4.23Å; F426-R507 HydrophobicContact CG-CG 3.87Å; F426-R507 HydrophobicContact CZ-CB 3.8Å; F426-R507 HydrophobicContact CZ-CG 3.8Å; N494-R507 WeakPolarHBondContact OD1-CD 3.43Å; N494-R507 PolarHBondContact OD1-NH1 3.16Å; D496-R507 PolarHBondContact O-NH1 2.93Å; E503-R507 HydrophobicContact CG-CG 4.46Å; E503-R507 WeakPolarHBondContact O-CG 3.44Å; E503-R507 PolarHBondContact O-N 3.49Å; E503-R507 IonicContact OE1-CZ 3.32Å; E503-R507 IonicContact OE1-NE 3.66Å; E503-R507 PolarHBondContact OE1-NE 3.1Å; E503-R507 IonicContact OE1-NH2 3.59Å; E503-R507 PolarHBondContact OE1-NH2 3.47Å; E503-R507 IonicContact OE2-NH2 2.71Å; Y504-R507 WeakPolarHBondContact O-CB 3.44Å; Y504-R507 PolarHBondContact O-N 3.33Å; Y504-R507 VanDerWaalsContact O-N 3.08Å; R507-R510 WeakPolarHBondContact O-CB 3.46Å; R507-R510 VanDerWaalsContact O-CG 3.24Å; R507-R510 WeakPolarHBondContact O-CG 3.3Å; R507-R510 PolarHBondContact O-N 3.26Å
508I89.3Confident84.4Confident1 Ų129.9 Ų29.91%0.00518%0.184CC..Hα-helixtrans-71.4-32.2-179.570179000112.1A390 V394 Q396 Y504 R510 T511 A520A390-I508 HydrophobicContact CB-CD1 3.63Å; V394-I508 HydrophobicContact CG1-CB 4.41Å; Q396-I508 HydrophobicContact CG-CD1 4.03Å; Y504-I508 HydrophobicContact CD1-CD1 4.16Å; Y504-I508 HydrophobicContact CD2-CG2 3.96Å; Y504-I508 HydrophobicContact CE1-CD1 3.69Å; Y504-I508 HydrophobicContact CE2-CD1 4.5Å; Y504-I508 HydrophobicContact CE2-CG2 3.58Å; Y504-I508 PolarHBondContact O-N 3.32Å; I508-R510 PolarHBondContact O-N 3.14Å; I508-T511 VanDerWaalsContact O-CG2 3.28Å; I508-T511 WeakPolarHBondContact O-CG2 3.47Å; I508-T511 PolarHBondContact O-N 3.04Å; I508-A520 HydrophobicContact CB-CB 3.89Å; I508-A520 HydrophobicContact CG2-CB 3.54Å
509G85.4Confident84.5Confident2 Ų232.5 Ų32.52%0.02120%0.195CC..THydrogen-bonded Turntrans-67.120.2170.800000115.6T219 I505 R513T219-G509 WeakPolarHBondContact CG2-O 3.4Å; I505-G509 PolarHBondContact O-N 2.95Å; G509-R513 PolarHBondContact O-NE 3.24Å; G509-R513 PolarHBondContact O-NH2 3.31Å
510R86.9Confident84.8Confident4 Ų431.1 Ų31.12%0.01519%0.187CC..THydrogen-bonded Turntrans-93-24163-55.9-65.4138.4-176.7-6.1111.5E327 L424 F426 A481 I484 V492 H506 R507 I508E327-R510 IonicContact OE1-NH2 2.8Å; L424-R510 HydrophobicContact CD2-CB 3.65Å; L424-R510 HydrophobicContact CD2-CG 3.75Å; F426-R510 HydrophobicContact CZ-CG 4.21Å; A481-R510 VanDerWaalsContact O-CZ 3.28Å; A481-R510 PolarHBondContact O-NH1 2.79Å; I484-R510 PolarHBondContact O-NH1 3.3Å; V492-R510 HydrophobicContact CG2-CB 4.28Å; H506-R510 PolarHBondContact O-NE 2.79Å; H506-R510 VanDerWaalsContact O-NE 3.07Å; R507-R510 WeakPolarHBondContact O-CB 3.46Å; R507-R510 VanDerWaalsContact O-CG 3.24Å; R507-R510 WeakPolarHBondContact O-CG 3.3Å; R507-R510 PolarHBondContact O-N 3.26Å; I508-R510 PolarHBondContact O-N 3.14Å
511T87.8Confident85.2Confident4 Ų431.1 Ų31.13%0.02519%0.185CC..SBendtrans-98.9-175.5162.5-170.60000110.6V394 V489 V492 I508 R513 G518V394-T511 HydrophobicContact CG1-CG2 3.8Å; V394-T511 HydrophobicContact CG2-CG2 4.07Å; V489-T511 WeakPolarHBondContact O-CB 3.43Å; V489-T511 PolarHBondContact O-OG1 2.85Å; V492-T511 HydrophobicContact CB-CG2 4.41Å; V492-T511 HydrophobicContact CG2-CG2 3.78Å; I508-T511 VanDerWaalsContact O-CG2 3.28Å; I508-T511 WeakPolarHBondContact O-CG2 3.47Å; I508-T511 PolarHBondContact O-N 3.04Å; T511-R513 VanDerWaalsContact C-N 3.29Å; T511-R513 PolarHBondContact O-N 3.01Å; T511-G518 WeakPolarHBondContact OG1-CA 3.43Å
512G78.6Confident85.6Confident6 Ų630.1 Ų30.16%0.06218%0.178CC..SBendtrans70.312.917500000116.3T393 H516T393-G512 PolarHBondContact OG1-O 2.84Å; G512-H516 CarbonylContact C-O 3.55Å; G512-H516 VanDerWaalsContact C-O 3.3Å; G512-H516 VanDerWaalsContact CA-O 3.26Å; G512-H516 WeakPolarHBondContact CA-O 3.37Å
513R76.4Confident86.2Confident43 Ų4328.9 Ų28.916%0.16217%0.17CC..G310 helixtrans-80.3147.6-169.8-66.8-174.5172.6-156.3-4.8112.5D485 G509 T511 G515 H516D485-R513 IonicContact OD1-NH1 2.73Å; D485-R513 PolarHBondContact OD1-NH1 3.1Å; G509-R513 PolarHBondContact O-NE 3.24Å; G509-R513 PolarHBondContact O-NH2 3.31Å; T511-R513 VanDerWaalsContact C-N 3.29Å; T511-R513 PolarHBondContact O-N 3.01Å; R513-G515 VanDerWaalsContact C-N 3.26Å; R513-G515 PolarHBondContact O-N 3.15Å; R513-H516 WeakPolarHBondContact O-CB 3.42Å; R513-H516 PolarHBondContact O-CD2 3.16Å; R513-H516 PolarHBondContact O-N 3.15Å
514A65.8Low86.6Confident95 Ų9528.3 Ų28.379%0.78517%0.167SC*.G310 helixtrans54.235.4174.700000114.8H516A514-H516 VanDerWaalsContact C-N 3.28Å; A514-H516 PolarHBondContact O-N 3.06Å
515G68.8Low86.7Confident61 Ų6128.3 Ų28.363%0.62917%0.167SC*.G310 helixtrans83.7-9.1178.400000115.1R513R513-G515 VanDerWaalsContact C-N 3.26Å; R513-G515 PolarHBondContact O-N 3.15Å
516H76.9Confident86.8Confident138 Ų13832.5 Ų32.564%0.63919%0.187SC*.  trans-64.1141.2169.1-64.4-68.6000110.6T393 G512 R513 A514T393-H516 WeakPolarHBondContact CB-O 3.27Å; G512-H516 CarbonylContact C-O 3.55Å; G512-H516 VanDerWaalsContact C-O 3.3Å; G512-H516 VanDerWaalsContact CA-O 3.26Å; G512-H516 WeakPolarHBondContact CA-O 3.37Å; R513-H516 WeakPolarHBondContact O-CB 3.42Å; R513-H516 PolarHBondContact O-CD2 3.16Å; R513-H516 PolarHBondContact O-N 3.15Å; A514-H516 VanDerWaalsContact C-N 3.28Å; A514-H516 PolarHBondContact O-N 3.06Å
517Q85.4Confident87Confident139 Ų13936.8 Ų36.865%0.6521%0.21SC*.  trans-70.3155.6168.1-62.7-64.3-10.200110.7T393T393-Q517 CarbonylContact O-C 3.57Å; T393-Q517 WeakPolarHBondContact O-CA 3.44Å; T393-Q517 PolarHBondContact O-OE1 3.14Å
518G89.6Confident87.1Confident11 Ų1136.5 Ų36.511%0.11321%0.209CC..EExtended strand (participates in β ladder)trans-154.5160.6178.500000112.3T393 V394 E395 T511T393-G518 PolarHBondContact O-N 2.99Å; V394-G518 CarbonylContact C-O 3.45Å; V394-G518 WeakPolarHBondContact CA-O 3.27Å; E395-G518 PolarHBondContact N-O 3.38Å; T511-G518 WeakPolarHBondContact OG1-CA 3.43Å
519K93.2Very high87Confident54 Ų5440 Ų4024%0.23522%0.224CC..EExtended strand (participates in β ladder)trans-118.4144.1175.9-174.2164.3179.21440112.3E395 E397 N490 L491 V492 I521E395-K519 HydrophobicContact CB-CB 4.48Å; E395-K519 HydrophobicContact CB-CG 4.38Å; E395-K519 CarbonylContact O-C 3.58Å; E395-K519 WeakPolarHBondContact O-CA 3.42Å; E395-K519 WeakPolarHBondContact OE1-CE 3.48Å; E395-K519 IonicContact OE1-NZ 3.16Å; E395-K519 PolarHBondContact OE1-NZ 2.9Å; E395-K519 WeakPolarHBondContact OE2-CD 3.36Å; E395-K519 IonicContact OE2-NZ 3.29Å; E397-K519 WeakPolarHBondContact OE2-CE 3.43Å; E397-K519 IonicContact OE2-NZ 2.82Å; E397-K519 PolarHBondContact OE2-NZ 3.07Å; N490-K519 PolarHBondContact O-N 3.13Å; N490-K519 VanDerWaalsContact O-N 3.11Å; L491-K519 CarbonylContact C-O 3.3Å; L491-K519 WeakPolarHBondContact CA-O 3.45Å; L491-K519 HydrophobicContact CD1-CB 4.03Å; L491-K519 HydrophobicContact CD1-CG 3.95Å; V492-K519 PolarHBondContact N-O 3.33Å; K519-I521 HydrophobicContact CD-CG1 4.46Å; K519-I521 HydrophobicContact CG-CG1 4.35Å
520A94.9Very high87.1Confident0 Ų042.9 Ų42.90%024%0.242CC..EExtended strand (participates in β ladder)trans-134.799.1179.700000111.8V394 E395 Q396 E397 V492 I508V394-A520 HydrophobicContact CG1-CB 3.61Å; E395-A520 PolarHBondContact O-N 3.13Å; Q396-A520 HydrophobicContact CG-CB 4.29Å; E397-A520 PolarHBondContact N-O 3.37Å; V492-A520 HydrophobicContact CB-CB 4.41Å; V492-A520 CarbonylContact O-C 3.54Å; V492-A520 VanDerWaalsContact O-CA 3.29Å; V492-A520 WeakPolarHBondContact O-CA 3.5Å; I508-A520 HydrophobicContact CB-CB 3.89Å; I508-A520 HydrophobicContact CG2-CB 3.54Å
521I96.3Very high87.1Confident13 Ų1343 Ų437%0.06724%0.243CC..EExtended strand (participates in β ladder)trans-88.6140.3176.1-60.5170.9000109.5E397 I414 L491 V492 L493 N494 K519 F523E397-I521 HydrophobicContact CB-CG1 4.29Å; E397-I521 CarbonylContact O-C 3.48Å; I414-I521 HydrophobicContact CD1-CD1 3.87Å; I414-I521 HydrophobicContact CD1-CG2 4.33Å; I414-I521 HydrophobicContact CG1-CD1 4.44Å; L491-I521 HydrophobicContact CD1-CB 4.5Å; L491-I521 HydrophobicContact CD1-CD1 3.95Å; L491-I521 HydrophobicContact CD1-CG1 3.95Å; L491-I521 HydrophobicContact CD2-CD1 4.41Å; V492-I521 PolarHBondContact O-N 3.34Å; L493-I521 WeakPolarHBondContact CA-O 3.48Å; L493-I521 HydrophobicContact CD1-CB 3.96Å; L493-I521 HydrophobicContact CD1-CG2 3.86Å; N494-I521 PolarHBondContact N-O 3.01Å; K519-I521 HydrophobicContact CD-CG1 4.46Å; K519-I521 HydrophobicContact CG-CG1 4.35Å; I521-F523 HydrophobicContact CG2-CD1 4.1Å; I521-F523 HydrophobicContact CG2-CE1 3.86Å
522T97.2Very high87.3Confident0 Ų042.9 Ų42.90%024%0.242CC..EExtended strand (participates in β ladder)trans-134.9113.2-178.3-59.40000111.9E397 L398 L399 N494 F497 Y504E397-T522 PolarHBondContact O-N 3.36Å; L398-T522 HydrophobicContact CD2-CG2 3.77Å; L399-T522 PolarHBondContact N-O 2.99Å; N494-T522 HydrophobicContact CB-CG2 3.8Å; N494-T522 PolarHBondContact ND2-OG1 3.25Å; F497-T522 HydrophobicContact CD2-CG2 3.65Å; F497-T522 HydrophobicContact CE2-CG2 3.69Å; Y504-T522 WeakPolarHBondContact CE2-OG1 3.13Å
523F97.1Very high87.8Confident0 Ų046.1 Ų46.10%025%0.253CS..EExtended strand (participates in β ladder)trans-79.8133176.8-62.4-12.5000110.5L399 V401 K407 A410 M411 I414 L493 N494 Y495 I521L399-F523 HydrophobicContact CB-CD1 4.14Å; L399-F523 HydrophobicContact CD2-CD1 3.98Å; L399-F523 HydrophobicContact CD2-CE1 3.7Å; L399-F523 WeakPolarHBondContact O-CA 3.21Å; V401-F523 HydrophobicContact CG1-CB 4.39Å; V401-F523 HydrophobicContact CG1-CD1 4.27Å; V401-F523 HydrophobicContact CG1-CG 4.24Å; V401-F523 HydrophobicContact CG2-CB 4.39Å; K407-F523 HydrophobicContact CB-CD2 3.94Å; K407-F523 HydrophobicContact CB-CE2 4.43Å; K407-F523 HydrophobicContact CG-CB 4.3Å; K407-F523 HydrophobicContact CG-CD2 4.06Å; K407-F523 VanDerWaalsContact O-CE2 3.22Å; K407-F523 WeakPolarHBondContact O-CE2 3.43Å; A410-F523 HydrophobicContact CB-CE1 3.88Å; A410-F523 HydrophobicContact CB-CE2 4.03Å; A410-F523 HydrophobicContact CB-CZ 3.57Å; M411-F523 HydrophobicContact CB-CE2 4.24Å; M411-F523 HydrophobicContact CB-CZ 4.48Å; I414-F523 HydrophobicContact CD1-CE1 3.88Å; I414-F523 HydrophobicContact CD1-CZ 3.78Å; L493-F523 HydrophobicContact CD1-CD1 3.96Å; L493-F523 HydrophobicContact CD1-CD2 4.36Å; L493-F523 HydrophobicContact CD1-CE1 3.64Å; L493-F523 HydrophobicContact CD1-CE2 4.07Å; L493-F523 HydrophobicContact CD1-CG 4.33Å; L493-F523 HydrophobicContact CD1-CZ 3.71Å; L493-F523 HydrophobicContact CD2-CE2 4.2Å; L493-F523 HydrophobicContact CD2-CZ 4.14Å; N494-F523 PolarHBondContact O-N 3.38Å; Y495-F523 AromaticContact CD2-CD2 3.97Å; Y495-F523 HydrophobicContact CD2-CD2 3.97Å; Y495-F523 AromaticContact CD2-CE2 3.79Å; Y495-F523 HydrophobicContact CD2-CE2 3.79Å; Y495-F523 HydrophobicContact CE2-CD2 4.47Å; Y495-F523 HydrophobicContact CE2-CE2 4.2Å; Y495-F523 HydrophobicContact CG-CD2 4.31Å; I521-F523 HydrophobicContact CG2-CD1 4.1Å; I521-F523 HydrophobicContact CG2-CE1 3.86Å
524F95.1Very high88.4Confident7 Ų745.5 Ų45.53%0.03126%0.255CS..EExtended strand (participates in β ladder)trans-132.6141.8173.273.7-85.3000111.8L398 L399 F400 V401 F497 D528 L532 M550L398-F524 HydrophobicContact CB-CD1 4.25Å; L398-F524 HydrophobicContact CB-CE1 3.99Å; L398-F524 HydrophobicContact CD2-CD1 4.13Å; L399-F524 VanDerWaalsContact O-CD1 3.27Å; L399-F524 WeakPolarHBondContact O-CD1 3.46Å; L399-F524 PolarHBondContact O-N 3.05Å; F400-F524 HydrophobicContact CB-CE1 3.86Å; F400-F524 HydrophobicContact CB-CE2 4.02Å; F400-F524 HydrophobicContact CB-CZ 3.56Å; F400-F524 AromaticContact CD2-CD2 3.83Å; F400-F524 HydrophobicContact CD2-CD2 3.83Å; F400-F524 AromaticContact CD2-CE2 3.51Å; F400-F524 HydrophobicContact CD2-CE2 3.51Å; F400-F524 AromaticContact CD2-CZ 3.99Å; F400-F524 HydrophobicContact CD2-CZ 3.99Å; F400-F524 WeakPolarHBondContact CD2-O 3.4Å; F400-F524 HydrophobicContact CE2-CE2 4.36Å; F400-F524 HydrophobicContact CG-CE2 4.11Å; F400-F524 HydrophobicContact CG-CZ 4.14Å; V401-F524 PolarHBondContact N-O 2.93Å; V401-F524 VanDerWaalsContact N-O 3.16Å; F497-F524 HydrophobicContact CD2-CB 3.55Å; F497-F524 HydrophobicContact CE2-CB 3.76Å; F497-F524 HydrophobicContact CG-CB 4.35Å; F524-D528 HydrophobicContact CB-CB 4Å; F524-L532 HydrophobicContact CB-CD1 4.36Å; F524-L532 HydrophobicContact CD1-CD1 4.17Å; F524-L532 HydrophobicContact CD2-CD1 3.9Å; F524-L532 HydrophobicContact CD2-CD2 3.93Å; F524-L532 HydrophobicContact CE1-CD1 4.42Å; F524-L532 HydrophobicContact CE2-CD1 4.16Å; F524-L532 HydrophobicContact CE2-CD2 3.64Å; F524-L532 HydrophobicContact CG-CD1 3.9Å; F524-L532 HydrophobicContact CZ-CD1 4.41Å; F524-L532 HydrophobicContact CZ-CD2 4.23Å; F524-M550 HydrophobicContact CE1-CE 3.69Å; F524-M550 HydrophobicContact CE2-CE 4.28Å; F524-M550 HydrophobicContact CZ-CE 3.48Å; F524-M550 VanDerWaalsContact CZ-CE 3.48Å
525T93.5Very high89.6Confident0 Ų041 Ų410%022%0.218CC..  trans-109.8175.4177.860.70000111.7V401 G402 E403 E404 K407 N527 D528 R571V401-T525 HydrophobicContact CG2-CG2 3.78Å; G402-T525 CarbonylContact O-C 3.58Å; G402-T525 VanDerWaalsContact O-CA 3.25Å; G402-T525 WeakPolarHBondContact O-CA 3.26Å; G402-T525 WeakPolarHBondContact O-CB 3.13Å; E403-T525 VanDerWaalsContact C-CG2 3.48Å; E404-T525 PolarHBondContact OE1-OG1 3.41Å; K407-T525 HydrophobicContact CG-CG2 4.48Å; T525-N527 PolarHBondContact O-N 3.22Å; T525-N527 VanDerWaalsContact O-N 3.1Å; T525-D528 PolarHBondContact N-OD2 3.25Å; T525-D528 VanDerWaalsContact N-OD2 3.08Å; T525-D528 WeakPolarHBondContact O-CB 3.49Å; T525-D528 PolarHBondContact O-N 3.47Å; T525-D528 PolarHBondContact OG1-OD2 3.22Å; T525-R571 PolarHBondContact OG1-NH1 3.47Å
526E90.5Very high90.7Very high92 Ų9238.1 Ų38.143%0.4319%0.188SC..G310 helixtrans-39-44.6167.6-75.5-67.1120.700113.2G402 D528 K529G402-E526 PolarHBondContact O-N 3.38Å; E526-D528 VanDerWaalsContact C-N 3.27Å; E526-D528 PolarHBondContact O-N 2.61Å; E526-K529 WeakPolarHBondContact O-CB 3.49Å; E526-K529 WeakPolarHBondContact O-CD 3.36Å; E526-K529 VanDerWaalsContact O-CG 3.31Å; E526-K529 WeakPolarHBondContact O-CG 3.37Å; E526-K529 PolarHBondContact O-N 3.03Å; E526-K529 VanDerWaalsContact OE1-CE 3.25Å; E526-K529 WeakPolarHBondContact OE1-CE 3.28Å; E526-K529 IonicContact OE1-NZ 2.66Å; E526-K529 PolarHBondContact OE1-NZ 3.43Å; E526-K529 IonicContact OE2-NZ 1.94Å; E526-K529 PolarHBondContact OE2-NZ 3.02Å
527N89.5Confident91.3Very high96 Ų9634.4 Ų34.451%0.51317%0.173SC..G310 helixtrans-71.5-17.1-176.6-65.6-64.6000114.2T525 P530 P569T525-N527 PolarHBondContact O-N 3.22Å; T525-N527 VanDerWaalsContact O-N 3.1Å; N527-P530 WeakPolarHBondContact O-CD 3.47Å; N527-P569 HydrophobicContact CB-CB 4.43Å
528D90.7Very high91.4Very high0 Ų028 Ų280%014%0.143CC..G310 helixtrans-93.2-12.4-176.2-65.2-49.8000113.1F497 F524 T525 E526 P530 L531 L532 R571F497-D528 HydrophobicContact CB-CB 4.01Å; F497-D528 WeakPolarHBondContact CB-OD1 3.22Å; F497-D528 HydrophobicContact CD1-CB 3.89Å; F497-D528 HydrophobicContact CD2-CB 4.39Å; F497-D528 HydrophobicContact CE1-CB 4.5Å; F497-D528 HydrophobicContact CG-CB 3.83Å; F524-D528 HydrophobicContact CB-CB 4Å; T525-D528 PolarHBondContact N-OD2 3.25Å; T525-D528 VanDerWaalsContact N-OD2 3.08Å; T525-D528 WeakPolarHBondContact O-CB 3.49Å; T525-D528 PolarHBondContact O-N 3.47Å; T525-D528 PolarHBondContact OG1-OD2 3.22Å; E526-D528 VanDerWaalsContact C-N 3.27Å; E526-D528 PolarHBondContact O-N 2.61Å; D528-P530 VanDerWaalsContact C-N 3.26Å; D528-P530 WeakPolarHBondContact O-CD 3.45Å; D528-L531 PolarHBondContact O-N 3.37Å; D528-L532 PolarHBondContact O-N 3.08Å; D528-L532 VanDerWaalsContact O-N 3.09Å; D528-R571 IonicContact OD1-CZ 2.77Å; D528-R571 IonicContact OD1-NH1 3.88Å; D528-R571 PolarHBondContact OD1-NH1 2.93Å; D528-R571 IonicContact OD1-NH2 3.69Å; D528-R571 PolarHBondContact OD1-NH2 3.11Å; D528-R571 IonicContact OD2-CZ 3.38Å; D528-R571 IonicContact OD2-NH1 3.26Å; D528-R571 PolarHBondContact OD2-NH1 2.89Å; D528-R571 IonicContact OD2-NH2 3.78Å; D528-R571 PolarHBondContact OD2-NH2 3.16Å
529K87.4Confident91.5Very high74 Ų7427.6 Ų27.632%0.32214%0.138SC..Hα-helixtrans-42.6-40175.5-71.2174.8178.91720114.6E526 L532E526-K529 WeakPolarHBondContact O-CB 3.49Å; E526-K529 WeakPolarHBondContact O-CD 3.36Å; E526-K529 VanDerWaalsContact O-CG 3.31Å; E526-K529 WeakPolarHBondContact O-CG 3.37Å; E526-K529 PolarHBondContact O-N 3.03Å; E526-K529 VanDerWaalsContact OE1-CE 3.25Å; E526-K529 WeakPolarHBondContact OE1-CE 3.28Å; E526-K529 IonicContact OE1-NZ 2.66Å; E526-K529 PolarHBondContact OE1-NZ 3.43Å; E526-K529 IonicContact OE2-NZ 1.94Å; E526-K529 PolarHBondContact OE2-NZ 3.02Å; K529-L532 WeakPolarHBondContact O-CB 3.36Å
530P87Confident91.2Very high64 Ų6429.7 Ų29.742%0.41615%0.147SC..Hα-helixtrans-63.6-43.9177.1-22.834.8000113.5N527 D528 I556 L564N527-P530 WeakPolarHBondContact O-CD 3.47Å; D528-P530 VanDerWaalsContact C-N 3.26Å; D528-P530 WeakPolarHBondContact O-CD 3.45Å; P530-I556 HydrophobicContact CB-CD1 4.24Å; P530-I556 WeakPolarHBondContact O-CD1 3.46Å; P530-I556 WeakPolarHBondContact O-CG1 3.43Å; P530-L564 HydrophobicContact CB-CD1 4.24Å
531L88.4Confident90.8Very high6 Ų634 Ų343%0.03117%0.168CC..Hα-helixtrans-77.5-26.2-176.1-64.6174.4000112.1F497 D528 R533 S534 I556 L564F497-L531 HydrophobicContact CD1-CB 4.05Å; F497-L531 HydrophobicContact CD1-CD1 4.44Å; F497-L531 HydrophobicContact CE1-CB 3.7Å; D528-L531 PolarHBondContact O-N 3.37Å; L531-R533 PolarHBondContact O-N 2.72Å; L531-S534 WeakPolarHBondContact O-CB 3.42Å; L531-S534 PolarHBondContact O-N 3.22Å; L531-S534 PolarHBondContact O-OG 3.22Å; L531-I556 HydrophobicContact CD2-CD1 3.96Å; L531-L564 HydrophobicContact CD2-CB 4.12Å; L531-L564 HydrophobicContact CD2-CD1 3.96Å; L531-L564 HydrophobicContact CG-CD1 4.24Å
532L90.8Very high90.2Very high1 Ų133.8 Ų33.81%0.00517%0.167CC..Hα-helixtrans-45.1-50.6-173.5-166.960.1000114.2L398 F497 F524 D528 K529 S534 I535 A536 M550 F553L398-L532 HydrophobicContact CD1-CD1 4.17Å; L398-L532 HydrophobicContact CD2-CD1 4.17Å; F497-L532 HydrophobicContact CE2-CD1 4.01Å; F497-L532 HydrophobicContact CZ-CD1 3.83Å; F524-L532 HydrophobicContact CB-CD1 4.36Å; F524-L532 HydrophobicContact CD1-CD1 4.17Å; F524-L532 HydrophobicContact CD2-CD1 3.9Å; F524-L532 HydrophobicContact CD2-CD2 3.93Å; F524-L532 HydrophobicContact CE1-CD1 4.42Å; F524-L532 HydrophobicContact CE2-CD1 4.16Å; F524-L532 HydrophobicContact CE2-CD2 3.64Å; F524-L532 HydrophobicContact CG-CD1 3.9Å; F524-L532 HydrophobicContact CZ-CD1 4.41Å; F524-L532 HydrophobicContact CZ-CD2 4.23Å; D528-L532 PolarHBondContact O-N 3.08Å; D528-L532 VanDerWaalsContact O-N 3.09Å; K529-L532 WeakPolarHBondContact O-CB 3.36Å; L532-S534 PolarHBondContact O-N 2.89Å; L532-S534 VanDerWaalsContact O-N 3.08Å; L532-I535 PolarHBondContact O-N 3.34Å; L532-A536 WeakPolarHBondContact O-CB 3.43Å; L532-A536 PolarHBondContact O-N 3.31Å; L532-M550 HydrophobicContact CD1-CE 3.8Å; L532-M550 HydrophobicContact CD2-CE 3.86Å; L532-M550 HydrophobicContact CG-CE 4.04Å; L532-F553 HydrophobicContact CD2-CD2 4.3Å; L532-F553 HydrophobicContact CD2-CE2 3.88Å
533R90.1Very high89.5Confident75 Ų7537.2 Ų37.228%0.28320%0.203SC..Hα-helixtrans-56.4-30.4-178.7-158.9-134.2170.6101.52.6113.3L531 N537 V551 F553L531-R533 PolarHBondContact O-N 2.72Å; R533-N537 WeakPolarHBondContact O-CB 3.29Å; R533-N537 VanDerWaalsContact O-CG 3.26Å; R533-N537 PolarHBondContact O-N 2.6Å; R533-N537 PolarHBondContact O-OD1 3.45Å; R533-V551 WeakPolarHBondContact CG-O 3.16Å; R533-V551 PolarHBondContact NE-O 2.84Å; R533-V551 VanDerWaalsContact NE-O 3.15Å; R533-V551 PolarHBondContact NH1-O 3.27Å; R533-V551 PolarHBondContact NH2-O 3.07Å; R533-F553 HydrophobicContact CB-CB 4.27Å; R533-F553 VanDerWaalsContact CD-O 3.27Å; R533-F553 WeakPolarHBondContact CD-O 3.06Å; R533-F553 HydrophobicContact CG-CB 4.49Å; R533-F553 PolarHBondContact NH1-O 2.97Å
534S88.7Confident89Confident30 Ų3038.1 Ų38.121%0.2121%0.209CC..Hα-helixtrans-74.8-24.7-178.9730000113.8L531 L532L531-S534 WeakPolarHBondContact O-CB 3.42Å; L531-S534 PolarHBondContact O-N 3.22Å; L531-S534 PolarHBondContact O-OG 3.22Å; L532-S534 PolarHBondContact O-N 2.89Å; L532-S534 VanDerWaalsContact O-N 3.08Å
535I91.3Very high88.6Confident0 Ų043.5 Ų43.50%025%0.245CC..Hα-helixtrans-97.2-39.4178.4-76.1158.5000110.4L398 F497 P498 Y504 L532 N537 V538 I539L398-I535 HydrophobicContact CD2-CG2 4.41Å; F497-I535 HydrophobicContact CD1-CD1 4.28Å; F497-I535 HydrophobicContact CE1-CD1 3.52Å; F497-I535 HydrophobicContact CE2-CD1 4.37Å; F497-I535 HydrophobicContact CZ-CB 4.09Å; F497-I535 HydrophobicContact CZ-CD1 3.56Å; F497-I535 HydrophobicContact CZ-CG1 4.42Å; F497-I535 HydrophobicContact CZ-CG2 4.31Å; P498-I535 HydrophobicContact CB-CD1 3.95Å; P498-I535 HydrophobicContact CG-CD1 3.82Å; Y504-I535 HydrophobicContact CD1-CG1 4.2Å; Y504-I535 HydrophobicContact CD1-CG2 3.85Å; Y504-I535 HydrophobicContact CD2-CG2 4.11Å; Y504-I535 HydrophobicContact CE1-CG2 3.81Å; Y504-I535 HydrophobicContact CE2-CG2 4.05Å; Y504-I535 HydrophobicContact CG-CD1 4.36Å; Y504-I535 HydrophobicContact CG-CG1 4Å; Y504-I535 HydrophobicContact CG-CG2 3.99Å; L532-I535 PolarHBondContact O-N 3.34Å; I535-N537 PolarHBondContact O-N 3.42Å; I535-V538 WeakPolarHBondContact O-CB 3.38Å; I535-V538 PolarHBondContact O-N 3.3Å; I535-I539 HydrophobicContact CG2-CD1 3.98Å; I535-I539 HydrophobicContact CG2-CG1 4.44Å; I535-I539 WeakPolarHBondContact O-CG1 3.45Å; I535-I539 PolarHBondContact O-N 2.82Å
536A91.2Very high88.4Confident0 Ų044.4 Ų44.40%025%0.25CS..Hα-helixtrans-49.5-42.6168.300000112.3L532 V538 I539 K540 V546 M550 V551L532-A536 WeakPolarHBondContact O-CB 3.43Å; L532-A536 PolarHBondContact O-N 3.31Å; A536-V538 PolarHBondContact O-N 3.35Å; A536-I539 PolarHBondContact O-N 2.72Å; A536-K540 WeakPolarHBondContact O-CB 3.35Å; A536-K540 PolarHBondContact O-N 2.77Å; A536-V546 HydrophobicContact CB-CG1 3.91Å; A536-M550 HydrophobicContact CB-CB 4.1Å; A536-V551 HydrophobicContact CB-CG2 4.45Å
537N89Confident88.1Confident60 Ų6043.2 Ų43.232%0.32125%0.251SS..Hα-helixtrans-61.7-38.8173.8-82.217.7000113.8R533 I535 Q541R533-N537 WeakPolarHBondContact O-CB 3.29Å; R533-N537 VanDerWaalsContact O-CG 3.26Å; R533-N537 PolarHBondContact O-N 2.6Å; R533-N537 PolarHBondContact O-OD1 3.45Å; I535-N537 PolarHBondContact O-N 3.42Å; N537-Q541 WeakPolarHBondContact O-CB 3.45Å; N537-Q541 VanDerWaalsContact O-CG 3.25Å; N537-Q541 WeakPolarHBondContact O-CG 3.45Å; N537-Q541 PolarHBondContact O-N 2.83Å
538V88.9Confident87.9Confident6 Ų643.6 Ų43.64%0.03625%0.253CS..Hα-helixtrans-69.1-42.2179.6174.70000110.6A390 A501 Y504 I505 I535 A536 Q541 A542A390-V538 HydrophobicContact CB-CG1 4Å; A501-V538 HydrophobicContact CB-CG2 3.91Å; Y504-V538 HydrophobicContact CD1-CB 4.39Å; Y504-V538 HydrophobicContact CD1-CG1 4.13Å; Y504-V538 HydrophobicContact CE1-CB 4.45Å; Y504-V538 HydrophobicContact CE1-CG1 4.15Å; I505-V538 HydrophobicContact CD1-CG1 4.21Å; I505-V538 HydrophobicContact CD1-CG2 4.37Å; I505-V538 HydrophobicContact CG1-CG1 3.89Å; I535-V538 WeakPolarHBondContact O-CB 3.38Å; I535-V538 PolarHBondContact O-N 3.3Å; A536-V538 PolarHBondContact O-N 3.35Å; V538-Q541 PolarHBondContact O-N 2.76Å; V538-A542 PolarHBondContact O-N 2.91Å
539I90.4Very high87.5Confident1 Ų150.2 Ų50.21%0.00528%0.279CS..Hα-helixtrans-64.1-47.4179-62175.1000110.2Q396 L398 Y504 I535 A536 Q541 A542 C544 V546Q396-I539 HydrophobicContact CB-CB 4.43Å; Q396-I539 HydrophobicContact CB-CD1 4.29Å; Q396-I539 HydrophobicContact CB-CG1 3.95Å; Q396-I539 HydrophobicContact CB-CG2 3.85Å; L398-I539 HydrophobicContact CD1-CD1 3.57Å; L398-I539 HydrophobicContact CD2-CD1 4.34Å; L398-I539 HydrophobicContact CG-CD1 3.59Å; Y504-I539 HydrophobicContact CE1-CD1 4.32Å; Y504-I539 HydrophobicContact CE1-CG1 3.84Å; Y504-I539 VanDerWaalsContact OH-CD1 3.3Å; Y504-I539 WeakPolarHBondContact OH-CD1 3.49Å; Y504-I539 WeakPolarHBondContact OH-CG1 3.48Å; I535-I539 HydrophobicContact CG2-CD1 3.98Å; I535-I539 HydrophobicContact CG2-CG1 4.44Å; I535-I539 WeakPolarHBondContact O-CG1 3.45Å; I535-I539 PolarHBondContact O-N 2.82Å; A536-I539 PolarHBondContact O-N 2.72Å; I539-Q541 VanDerWaalsContact C-N 3.3Å; I539-Q541 PolarHBondContact O-N 3.37Å; I539-A542 CarbonylContact O-C 3.59Å; I539-A542 PolarHBondContact O-N 2.77Å; I539-C544 HydrophobicContact CG2-CB 3.42Å; I539-C544 VanDerWaalsContact CG2-CB 3.42Å; I539-C544 PolarHBondContact O-N 2.72Å; I539-V546 HydrophobicContact CB-CG2 3.67Å; I539-V546 HydrophobicContact CG2-CG2 3.33Å
540K88.3Confident87.3Confident98 Ų9846.9 Ų46.943%0.42626%0.264SS..Hα-helixtrans-64.8-30.8176.7-169.9160.8-177.9152.80112.8A536 A542 V546 D548 V551A536-K540 WeakPolarHBondContact O-CB 3.35Å; A536-K540 PolarHBondContact O-N 2.77Å; K540-A542 VanDerWaalsContact C-N 3.34Å; K540-V546 HydrophobicContact CB-CB 4.33Å; K540-V546 HydrophobicContact CB-CG2 4.08Å; K540-D548 IonicContact NZ-OD1 3.46Å; K540-D548 PolarHBondContact NZ-OD1 3.31Å; K540-D548 IonicContact NZ-OD2 3.37Å; K540-D548 PolarHBondContact NZ-OD2 2.93Å; K540-V551 HydrophobicContact CD-CG2 4.02Å
541Q84.9Confident87Confident92 Ų9245.1 Ų45.143%0.4325%0.252SS..Hα-helixtrans-72.3-24.1171.6-78.5177.6-8.200113.8T389 N537 V538 I539 G543T389-Q541 HydrophobicContact CG2-CB 3.76Å; T389-Q541 WeakPolarHBondContact CG2-O 3.27Å; T389-Q541 PolarHBondContact OG1-OE1 3.38Å; T389-Q541 VanDerWaalsContact OG1-OE1 3.07Å; N537-Q541 WeakPolarHBondContact O-CB 3.45Å; N537-Q541 VanDerWaalsContact O-CG 3.25Å; N537-Q541 WeakPolarHBondContact O-CG 3.45Å; N537-Q541 PolarHBondContact O-N 2.83Å; V538-Q541 PolarHBondContact O-N 2.76Å; I539-Q541 VanDerWaalsContact C-N 3.3Å; I539-Q541 PolarHBondContact O-N 3.37Å; Q541-G543 VanDerWaalsContact C-N 3.27Å
542A83.3Confident86.5Confident7 Ų747.3 Ų47.36%0.05828%0.276CS..THydrogen-bonded Turntrans-90.417.1176.400000112.9T389 A390 V538 I539 K540 C544T389-A542 HydrophobicContact CG2-CB 4.12Å; A390-A542 HydrophobicContact CB-CB 3.98Å; V538-A542 PolarHBondContact O-N 2.91Å; I539-A542 CarbonylContact O-C 3.59Å; I539-A542 PolarHBondContact O-N 2.77Å; K540-A542 VanDerWaalsContact C-N 3.34Å; A542-C544 PolarHBondContact O-N 2.78Å
543G84.4Confident86Confident73 Ų7350.8 Ų50.875%0.75329%0.292SS*.THydrogen-bonded Turntrans73.1-0.8179.300000115.6Q541Q541-G543 VanDerWaalsContact C-N 3.27Å
544C86.6Confident85.4Confident18 Ų1857 Ų5712%0.12232%0.32CS..  trans-79.7145.7-179.2-71.80000111.7Q396 I539 A542 V546Q396-C544 HydrophobicContact CB-CB 4.2Å; Q396-C544 PolarHBondContact N-SG 2.8Å; I539-C544 HydrophobicContact CG2-CB 3.42Å; I539-C544 VanDerWaalsContact CG2-CB 3.42Å; I539-C544 PolarHBondContact O-N 2.72Å; A542-C544 PolarHBondContact O-N 2.78Å; C544-V546 PolarHBondContact O-N 3.24Å
545P86.8Confident84.9Confident121 Ų12164.4 Ų64.479%0.78635%0.349SS*.  trans-68.2132-176.327.6-34.6000111.9
546V87.9Confident84.3Confident18 Ų1866.2 Ų66.211%0.10936%0.358CS..  trans-139121.1177-177.40000109.5A536 I539 K540 C544 D548 M550 V551A536-V546 HydrophobicContact CB-CG1 3.91Å; I539-V546 HydrophobicContact CB-CG2 3.67Å; I539-V546 HydrophobicContact CG2-CG2 3.33Å; K540-V546 HydrophobicContact CB-CB 4.33Å; K540-V546 HydrophobicContact CB-CG2 4.08Å; C544-V546 PolarHBondContact O-N 3.24Å; V546-D548 PolarHBondContact O-N 2.74Å; V546-M550 HydrophobicContact CG1-CB 4.03Å; V546-M550 HydrophobicContact CG1-SD 4.21Å; V546-V551 HydrophobicContact CG1-CG2 4.14Å
547P85.4Confident83.8Confident68 Ų6871.8 Ų71.844%0.44238%0.384SS..  trans-54.1128.3172.4-27.934.2000112.8Y549 M550P547-Y549 HydrophobicContact CB-CD1 3.62Å; P547-Y549 HydrophobicContact CB-CE1 3.36Å; P547-Y549 HydrophobicContact CG-CE1 4.18Å; P547-Y549 PolarHBondContact O-N 3.44Å; P547-Y549 VanDerWaalsContact O-N 3.11Å; P547-M550 HydrophobicContact CB-CG 4.24Å; P547-M550 HydrophobicContact CB-SD 4.08Å; P547-M550 HydrophobicContact CG-SD 3.97Å; P547-M550 VanDerWaalsContact O-CB 3.27Å; P547-M550 WeakPolarHBondContact O-CB 3.38Å; P547-M550 WeakPolarHBondContact O-CG 3.49Å; P547-M550 PolarHBondContact O-N 2.84Å
548D83.6Confident83.2Confident103 Ų10373 Ų7355%0.55140%0.397SS*.Hα-helixtrans-64.1-23.1-168.8-84.7-59.4000114.9K540 V546 M550 V551 G552K540-D548 IonicContact NZ-OD1 3.46Å; K540-D548 PolarHBondContact NZ-OD1 3.31Å; K540-D548 IonicContact NZ-OD2 3.37Å; K540-D548 PolarHBondContact NZ-OD2 2.93Å; V546-D548 PolarHBondContact O-N 2.74Å; D548-M550 PolarHBondContact O-N 3.45Å; D548-V551 CarbonylContact O-C 3.56Å; D548-V551 PolarHBondContact O-N 3.39Å; D548-G552 PolarHBondContact O-N 3.32Å
549Y82.2Confident82.6Confident139 Ų13980.5 Ų80.555%0.54543%0.429SS..Hα-helixtrans-59-31.3171.975.9-97000112.3P547 V551 G552 F553P547-Y549 HydrophobicContact CB-CD1 3.62Å; P547-Y549 HydrophobicContact CB-CE1 3.36Å; P547-Y549 HydrophobicContact CG-CE1 4.18Å; P547-Y549 PolarHBondContact O-N 3.44Å; P547-Y549 VanDerWaalsContact O-N 3.11Å; Y549-V551 VanDerWaalsContact C-N 3.32Å; Y549-G552 PolarHBondContact O-N 3.37Å; Y549-F553 AromaticContact CD2-CE2 3.89Å; Y549-F553 HydrophobicContact CD2-CE2 3.89Å; Y549-F553 HydrophobicContact CD2-CZ 4.04Å; Y549-F553 HydrophobicContact CE2-CE2 4.21Å; Y549-F553 HydrophobicContact CE2-CZ 4.42Å; Y549-F553 WeakPolarHBondContact O-CD2 3.09Å; Y549-F553 PolarHBondContact O-N 2.57Å
550M84.7Confident82.1Confident4 Ų482.9 Ų82.92%0.0244%0.444CS..Hα-helixtrans-71.4-29.3178.5-52.9177.784.400112L398 F524 L532 A536 V546 P547 D548L398-M550 HydrophobicContact CB-CE 4Å; L398-M550 HydrophobicContact CD1-CE 3.69Å; L398-M550 HydrophobicContact CG-CE 4.42Å; F524-M550 HydrophobicContact CE1-CE 3.69Å; F524-M550 HydrophobicContact CE2-CE 4.28Å; F524-M550 HydrophobicContact CZ-CE 3.48Å; F524-M550 VanDerWaalsContact CZ-CE 3.48Å; L532-M550 HydrophobicContact CD1-CE 3.8Å; L532-M550 HydrophobicContact CD2-CE 3.86Å; L532-M550 HydrophobicContact CG-CE 4.04Å; A536-M550 HydrophobicContact CB-CB 4.1Å; V546-M550 HydrophobicContact CG1-CB 4.03Å; V546-M550 HydrophobicContact CG1-SD 4.21Å; P547-M550 HydrophobicContact CB-CG 4.24Å; P547-M550 HydrophobicContact CB-SD 4.08Å; P547-M550 HydrophobicContact CG-SD 3.97Å; P547-M550 VanDerWaalsContact O-CB 3.27Å; P547-M550 WeakPolarHBondContact O-CB 3.38Å; P547-M550 WeakPolarHBondContact O-CG 3.49Å; P547-M550 PolarHBondContact O-N 2.84Å; D548-M550 PolarHBondContact O-N 3.45Å
551V80.6Confident81.6Confident28 Ų2881.7 Ų81.717%0.1744%0.438CS..Hα-helixtrans-82.2-29.4171.3-179.10000110.6R533 A536 K540 V546 D548 Y549R533-V551 WeakPolarHBondContact CG-O 3.16Å; R533-V551 PolarHBondContact NE-O 2.84Å; R533-V551 VanDerWaalsContact NE-O 3.15Å; R533-V551 PolarHBondContact NH1-O 3.27Å; R533-V551 PolarHBondContact NH2-O 3.07Å; A536-V551 HydrophobicContact CB-CG2 4.45Å; K540-V551 HydrophobicContact CD-CG2 4.02Å; V546-V551 HydrophobicContact CG1-CG2 4.14Å; D548-V551 CarbonylContact O-C 3.56Å; D548-V551 PolarHBondContact O-N 3.39Å; Y549-V551 VanDerWaalsContact C-N 3.32Å
552G77.6Confident81.3Confident52 Ų5283.9 Ų83.954%0.53644%0.443SS..Hα-helixtrans-65.9-33.3179.400000115.1D548 Y549 K554D548-G552 PolarHBondContact O-N 3.32Å; Y549-G552 PolarHBondContact O-N 3.37Å; G552-K554 PolarHBondContact O-N 2.79Å
553F80.2Confident81.1Confident74 Ų7491.4 Ų91.433%0.32547%0.47SS..SBendtrans-46.3131.5-177.2-74.6-61.6000113.7L532 R533 Y549 K555L532-F553 HydrophobicContact CD2-CD2 4.3Å; L532-F553 HydrophobicContact CD2-CE2 3.88Å; R533-F553 HydrophobicContact CB-CB 4.27Å; R533-F553 VanDerWaalsContact CD-O 3.27Å; R533-F553 WeakPolarHBondContact CD-O 3.06Å; R533-F553 HydrophobicContact CG-CB 4.49Å; R533-F553 PolarHBondContact NH1-O 2.97Å; Y549-F553 AromaticContact CD2-CE2 3.89Å; Y549-F553 HydrophobicContact CD2-CE2 3.89Å; Y549-F553 HydrophobicContact CD2-CZ 4.04Å; Y549-F553 HydrophobicContact CE2-CE2 4.21Å; Y549-F553 HydrophobicContact CE2-CZ 4.42Å; Y549-F553 WeakPolarHBondContact O-CD2 3.09Å; Y549-F553 PolarHBondContact O-N 2.57Å; F553-K555 PolarHBondContact O-N 3.31Å
554K78.1Confident80.9Confident204 Ų20489.4 Ų89.489%0.88744%0.442SS*.PPolyproline II helixtrans-54.7132.5-176.1-68.3-175.7179.4179.30111.7G552 I556G552-K554 PolarHBondContact O-N 2.79Å; K554-I556 PolarHBondContact O-N 3.36Å
555K76.8Confident80.4Confident186 Ų18691.7 Ų91.781%0.80945%0.451SS*.PPolyproline II helixtrans-58.7122.2-179.7-176.3-179.5-177.5179.10110.7F553 H557F553-K555 PolarHBondContact O-N 3.31Å; K555-H557 PolarHBondContact O-N 2.92Å
556I79.4Confident79.9Confident38 Ų3892 Ų9220%0.19544%0.44CS..PPolyproline II helixtrans-56.8135178.2-34.4174.7000110.4P530 L531 K554 V560 K561P530-I556 HydrophobicContact CB-CD1 4.24Å; P530-I556 WeakPolarHBondContact O-CD1 3.46Å; P530-I556 WeakPolarHBondContact O-CG1 3.43Å; L531-I556 HydrophobicContact CD2-CD1 3.96Å; K554-I556 PolarHBondContact O-N 3.36Å; I556-V560 HydrophobicContact CG2-CB 3.78Å; I556-V560 HydrophobicContact CG2-CG1 3.76Å; I556-K561 HydrophobicContact CB-CB 4.44Å; I556-K561 HydrophobicContact CD1-CB 4.4Å; I556-K561 HydrophobicContact CG2-CB 4.48Å
557H80.2Confident79.5Confident118 Ų11899 Ų9955%0.54647%0.468SS..PPolyproline II helixtrans-59.9137.5169-172-97.6000111.3K555 K559 V560 K561K555-H557 PolarHBondContact O-N 2.92Å; H557-K559 VanDerWaalsContact C-N 3.31Å; H557-K559 PolarHBondContact O-N 3.39Å; H557-K559 VanDerWaalsContact O-N 3.17Å; H557-V560 PolarHBondContact O-N 3.18Å; H557-K561 PolarHBondContact O-N 3.36Å; H557-K561 VanDerWaalsContact O-N 3.11Å
558S76.1Confident79.2Confident84 Ų8498 Ų9859%0.58746%0.462SS*.Hα-helixtrans-53.9-41.6-169.958.80000114V560 K561 R562S558-V560 VanDerWaalsContact C-N 3.28Å; S558-V560 PolarHBondContact O-N 2.82Å; S558-K561 PolarHBondContact O-N 3.32Å; S558-R562 WeakPolarHBondContact O-CB 3.15Å; S558-R562 PolarHBondContact O-N 3.22Å
559K77.8Confident79.1Confident164 Ų16494.2 Ų94.271%0.71344%0.443SS*.Hα-helixtrans-59.1-36176-63.7-179.1-178.4175.70112.8H557 R563H557-K559 VanDerWaalsContact C-N 3.31Å; H557-K559 PolarHBondContact O-N 3.39Å; H557-K559 VanDerWaalsContact O-N 3.17Å; K559-R563 PolarHBondContact O-N 3.11Å
560V79.1Confident79.2Confident51 Ų5193.2 Ų93.231%0.30946%0.456SS..Hα-helixtrans-80.1-40.2-179.8177.10000110.9I556 H557 S558 R562 R563 L564I556-V560 HydrophobicContact CG2-CB 3.78Å; I556-V560 HydrophobicContact CG2-CG1 3.76Å; H557-V560 PolarHBondContact O-N 3.18Å; S558-V560 VanDerWaalsContact C-N 3.28Å; S558-V560 PolarHBondContact O-N 2.82Å; V560-R562 PolarHBondContact O-N 3.49Å; V560-R563 WeakPolarHBondContact O-CB 3.25Å; V560-R563 PolarHBondContact O-N 3.21Å; V560-R563 VanDerWaalsContact O-N 3.12Å; V560-L564 HydrophobicContact CG1-CD1 4.28Å; V560-L564 PolarHBondContact O-N 3.2Å
561K78.8Confident79.2Confident73 Ų7394.3 Ų94.332%0.31746%0.46SS..Hα-helixtrans-54.7-52171.5-174.4174.2-177.7-77.40111I556 H557 S558 R563 L564 E565I556-K561 HydrophobicContact CB-CB 4.44Å; I556-K561 HydrophobicContact CD1-CB 4.4Å; I556-K561 HydrophobicContact CG2-CB 4.48Å; H557-K561 PolarHBondContact O-N 3.36Å; H557-K561 VanDerWaalsContact O-N 3.11Å; S558-K561 PolarHBondContact O-N 3.32Å; K561-R563 PolarHBondContact O-N 3.29Å; K561-L564 PolarHBondContact O-N 2.81Å; K561-E565 HydrophobicContact CG-CG 4.48Å; K561-E565 IonicContact NZ-OE1 2.91Å; K561-E565 PolarHBondContact NZ-OE1 3.05Å; K561-E565 IonicContact NZ-OE2 3.75Å; K561-E565 WeakPolarHBondContact O-CG 3.5Å; K561-E565 PolarHBondContact O-N 3.15Å
562R76.9Confident79.4Confident139 Ų13995 Ų9553%0.52547%0.466SS..Hα-helixtrans-62.7-25178-159.2-178.9-169.2-1503.9114.1S558 V560 E565 K566S558-R562 WeakPolarHBondContact O-CB 3.15Å; S558-R562 PolarHBondContact O-N 3.22Å; V560-R562 PolarHBondContact O-N 3.49Å; R562-E565 VanDerWaalsContact CA-OE2 3.29Å; R562-E565 WeakPolarHBondContact CA-OE2 3.46Å; R562-K566 PolarHBondContact O-N 3.04Å
563R80.8Confident79.8Confident165 Ų16596 Ų9662%0.62346%0.462SS*.Hα-helixtrans-74-43.7172.8-173.1177.969.1-172.92.1111.4K559 V560 K561 K566 K567K559-R563 PolarHBondContact O-N 3.11Å; V560-R563 WeakPolarHBondContact O-CB 3.25Å; V560-R563 PolarHBondContact O-N 3.21Å; V560-R563 VanDerWaalsContact O-N 3.12Å; K561-R563 PolarHBondContact O-N 3.29Å; R563-K566 PolarHBondContact O-N 2.76Å; R563-K567 PolarHBondContact O-N 3.5Å
564L79.4Confident80.1Confident31 Ų3193 Ų9316%0.16245%0.449CS..Hα-helixtrans-68.5-36.7177.7-67.5169.9000112P530 L531 V560 K561 K566 K567 P568P530-L564 HydrophobicContact CB-CD1 4.24Å; L531-L564 HydrophobicContact CD2-CB 4.12Å; L531-L564 HydrophobicContact CD2-CD1 3.96Å; L531-L564 HydrophobicContact CG-CD1 4.24Å; V560-L564 HydrophobicContact CG1-CD1 4.28Å; V560-L564 PolarHBondContact O-N 3.2Å; K561-L564 PolarHBondContact O-N 2.81Å; L564-K566 VanDerWaalsContact C-N 3.33Å; L564-K566 PolarHBondContact O-N 3.06Å; L564-K567 CarbonylContact O-C 3.59Å; L564-K567 PolarHBondContact O-N 3.03Å; L564-P568 WeakPolarHBondContact O-CA 3.49Å; L564-P568 VanDerWaalsContact O-N 3.13Å
565E76Confident80.2Confident66 Ų6685.3 Ų85.331%0.30842%0.421SS..Hα-helixtrans-61.9-37.6173.6-71.4167.7149.700112.6K561 R562K561-E565 HydrophobicContact CG-CG 4.48Å; K561-E565 IonicContact NZ-OE1 2.91Å; K561-E565 PolarHBondContact NZ-OE1 3.05Å; K561-E565 IonicContact NZ-OE2 3.75Å; K561-E565 WeakPolarHBondContact O-CG 3.5Å; K561-E565 PolarHBondContact O-N 3.15Å; R562-E565 VanDerWaalsContact CA-OE2 3.29Å; R562-E565 WeakPolarHBondContact CA-OE2 3.46Å
566K76.8Confident80.3Confident127 Ų12780.4 Ų80.455%0.55241%0.406SS*.Hα-helixtrans-90-20.2177.7-75-175.2176.1-80.50114.5D334 R562 R563 L564D334-K566 PolarHBondContact O-NZ 3.09Å; R562-K566 PolarHBondContact O-N 3.04Å; R563-K566 PolarHBondContact O-N 2.76Å; L564-K566 VanDerWaalsContact C-N 3.33Å; L564-K566 PolarHBondContact O-N 3.06Å
567K79.8Confident80.1Confident164 Ų16481.3 Ų81.371%0.71341%0.414SS*.SBendtrans-14386.5177.8-69-163.5174.9-169.90108.8R563 L564R563-K567 PolarHBondContact O-N 3.5Å; L564-K567 CarbonylContact O-C 3.59Å; L564-K567 PolarHBondContact O-N 3.03Å
568P78.3Confident79.6Confident47 Ų4779.5 Ų79.531%0.30541%0.413SS..PPolyproline II helixtrans-59.9159.8174.524.3-34.4000111.5Q428 T499 L564Q428-P568 HydrophobicContact CG-CB 4.44Å; Q428-P568 HydrophobicContact CG-CG 4.19Å; T499-P568 HydrophobicContact CG2-CB 3.94Å; T499-P568 HydrophobicContact CG2-CG 4.43Å; L564-P568 WeakPolarHBondContact O-CA 3.49Å; L564-P568 VanDerWaalsContact O-N 3.13Å
569P81Confident79Confident25 Ų2585 Ų8516%0.16242%0.42CS..PPolyproline II helixtrans-57.1146.1178.524.3-34.5000111.7Q428 N527Q428-P569 PolarHBondContact NE2-O 2.96Å; N527-P569 HydrophobicContact CB-CB 4.43Å
570S84.4Confident78.6Confident117 Ų11784.5 Ų84.582%0.81842%0.419SS*.PPolyproline II helixtrans-65.2138.2171.4-168.50000109.6
571R85.8Confident78.1Confident28 Ų2886.1 Ų86.111%0.10643%0.425CS..  trans-119143.5-179.6-50.8-67.3-170.9166.3-3.2109E404 R432 T525 D528E404-R571 VanDerWaalsContact CD-CD 3.5Å; E404-R571 WeakPolarHBondContact OE1-CD 3.22Å; E404-R571 IonicContact OE1-CZ 2.83Å; E404-R571 IonicContact OE1-NE 2.96Å; E404-R571 IonicContact OE1-NH1 2.74Å; E404-R571 PolarHBondContact OE1-NH1 3.47Å; E404-R571 WeakPolarHBondContact OE2-CD 3.22Å; R432-R571 VanDerWaalsContact CZ-CB 3.46Å; T525-R571 PolarHBondContact OG1-NH1 3.47Å; D528-R571 IonicContact OD1-CZ 2.77Å; D528-R571 IonicContact OD1-NH1 3.88Å; D528-R571 PolarHBondContact OD1-NH1 2.93Å; D528-R571 IonicContact OD1-NH2 3.69Å; D528-R571 PolarHBondContact OD1-NH2 3.11Å; D528-R571 IonicContact OD2-CZ 3.38Å; D528-R571 IonicContact OD2-NH1 3.26Å; D528-R571 PolarHBondContact OD2-NH1 2.89Å; D528-R571 IonicContact OD2-NH2 3.78Å; D528-R571 PolarHBondContact OD2-NH2 3.16Å
572S85.3Confident77.4Confident41 Ų4186.1 Ų86.129%0.28743%0.427SS..  trans-76.2143.6173.253.10000111.7E404 R432 I574E404-S572 VanDerWaalsContact CB-OG 3.22Å; E404-S572 WeakPolarHBondContact CB-OG 3.4Å; R432-S572 PolarHBondContact NH1-O 2.97Å; S572-I574 PolarHBondContact O-N 2.98Å
573T85.8Confident77Confident74 Ų7486.9 Ų86.945%0.45443%0.434SS..  trans-41.4131.3170.1-73.80000112.8E435 C575E435-T573 HydrophobicContact CG-CG2 4.36Å; E435-T573 WeakPolarHBondContact OE1-CA 3.33Å; E435-T573 WeakPolarHBondContact OE1-CB 3.45Å; E435-T573 VanDerWaalsContact OE1-CG2 3.29Å; E435-T573 WeakPolarHBondContact OE1-CG2 3.25Å; E435-T573 PolarHBondContact OE1-OG1 2.62Å; E435-T573 WeakPolarHBondContact OE2-CA 3.42Å; T573-C575 HydrophobicContact CG2-CB 3.75Å; T573-C575 PolarHBondContact O-N 3.19Å
574I86.8Confident76.4Confident10 Ų1085.6 Ų85.65%0.05143%0.433CS..  trans-82.591.1174.6-51.2165.1000107.9L408 R432 E435 L436 E439 Y495 S572L408-I574 HydrophobicContact CB-CG2 4.45Å; L408-I574 HydrophobicContact CD1-CG2 4.13Å; L408-I574 HydrophobicContact CD2-CG2 4.01Å; L408-I574 HydrophobicContact CG-CG2 4.43Å; R432-I574 HydrophobicContact CB-CD1 4.04Å; R432-I574 HydrophobicContact CG-CD1 4.41Å; E435-I574 HydrophobicContact CB-CB 3.95Å; E435-I574 WeakPolarHBondContact CB-O 3.29Å; E435-I574 PolarHBondContact OE2-N 3.02Å; L436-I574 HydrophobicContact CB-CD1 3.99Å; L436-I574 HydrophobicContact CD1-CG2 4.41Å; E439-I574 HydrophobicContact CG-CG2 4.46Å; Y495-I574 HydrophobicContact CD1-CD1 4.23Å; Y495-I574 HydrophobicContact CE1-CD1 3.4Å; Y495-I574 HydrophobicContact CE1-CG1 4.08Å; Y495-I574 WeakPolarHBondContact OH-CG2 3.42Å; S572-I574 PolarHBondContact O-N 2.98Å
575C79.6Confident75.9Confident44 Ų4490.7 Ų90.730%0.29745%0.454SS..  trans-154.2134.3176.3-164.70000113E439 T573 T577 M582E439-C575 WeakPolarHBondContact OE1-CA 3.5Å; T573-C575 HydrophobicContact CG2-CB 3.75Å; T573-C575 PolarHBondContact O-N 3.19Å; C575-T577 VanDerWaalsContact SG-CB 3.58Å; C575-T577 PolarHBondContact SG-N 3.08Å; C575-M582 HydrophobicContact CB-CE 4.13Å; C575-M582 HydrophobicContact CB-SD 4.36Å; C575-M582 WeakPolarHBondContact SG-CE 3.35Å
576T79.5Confident75.6Confident82 Ų8290.7 Ų90.750%0.50346%0.459SS..  trans-77.2-21.5170.851.40000113.3L408 R412 E439 P578L408-T576 HydrophobicContact CD2-CG2 4.1Å; R412-T576 VanDerWaalsContact NH1-CG2 3.32Å; E439-T576 PolarHBondContact OE1-N 3Å; E439-T576 PolarHBondContact OE1-OG1 3.16Å; E439-T576 WeakPolarHBondContact OE2-CG2 3.5Å; E439-T576 PolarHBondContact OE2-OG1 3.43Å; T576-P578 WeakPolarHBondContact O-CD 3.34Å
577T74.4Confident75.3Confident58 Ų5892.2 Ų92.236%0.35647%0.465SS..SBendtrans-69.4122.6-178.7-60.40000111.1C575 R579 L581 M582C575-T577 VanDerWaalsContact SG-CB 3.58Å; C575-T577 PolarHBondContact SG-N 3.08Å; T577-R579 PolarHBondContact O-N 2.82Å; T577-L581 HydrophobicContact CG2-CB 3.95Å; T577-M582 HydrophobicContact CG2-CG 3.78Å
578P70.1Confident74.8Confident80 Ų8086.5 Ų86.552%0.51945%0.449SS..  trans-52.4133.7178.1-30.436000113.6T576 F580 L581 M582T576-P578 WeakPolarHBondContact O-CD 3.34Å; P578-F580 PolarHBondContact O-N 3.47Å; P578-L581 HydrophobicContact CG-CD1 4.48Å; P578-L581 PolarHBondContact O-N 3.4Å; P578-M582 PolarHBondContact O-N 3.17Å
579R64.1Low74.5Confident198 Ų19888.7 Ų88.775%0.74746%0.455SS*.Hα-helixtrans-51.9-27.9-177.7-71.9-179.5174.91730.1114T577 K583T577-R579 PolarHBondContact O-N 2.82Å; R579-K583 WeakPolarHBondContact O-CB 3.5Å; R579-K583 WeakPolarHBondContact O-CG 3.35Å; R579-K583 PolarHBondContact O-N 3.34Å
580F67.8Low74Confident154 Ų15494.4 Ų94.468%0.67548%0.477SS*.Hα-helixtrans-64.8-46.6173.6178.5-103000112.5P578 K583 K584P578-F580 PolarHBondContact O-N 3.47Å; F580-K583 PolarHBondContact O-N 3.01Å; F580-K584 PolarHBondContact O-N 3.1Å
581L68.5Low73.3Confident85 Ų8596.3 Ų96.345%0.44547%0.47SS..Hα-helixtrans-66.9-37.9177.9-63.1-179.7000111.3T577 P578 K584 K585T577-L581 HydrophobicContact CG2-CB 3.95Å; P578-L581 HydrophobicContact CG-CD1 4.48Å; P578-L581 PolarHBondContact O-N 3.4Å; L581-K584 CarbonylContact O-C 3.56Å; L581-K584 WeakPolarHBondContact O-CA 3.47Å; L581-K584 WeakPolarHBondContact O-CB 3.43Å; L581-K584 PolarHBondContact O-N 2.93Å; L581-K584 VanDerWaalsContact O-N 3.13Å; L581-K585 PolarHBondContact O-N 2.69Å
582M64.5Low72.5Confident73 Ų73101 Ų10136%0.3649%0.494SS..Hα-helixtrans-62.8-45.3172.3-58.9-166.5110.800111.9C575 T577 P578 K584 K585 V586C575-M582 HydrophobicContact CB-CE 4.13Å; C575-M582 HydrophobicContact CB-SD 4.36Å; C575-M582 WeakPolarHBondContact SG-CE 3.35Å; T577-M582 HydrophobicContact CG2-CG 3.78Å; P578-M582 PolarHBondContact O-N 3.17Å; M582-K584 PolarHBondContact O-N 3.26Å; M582-K585 PolarHBondContact O-N 3.32Å; M582-V586 WeakPolarHBondContact O-CG2 3.42Å; M582-V586 PolarHBondContact O-N 3.37Å
583K67.9Low71.8Confident155 Ų155106.2 Ų106.267%0.67451%0.513SS*.Hα-helixtrans-60.7-29.9172.4-76.8177.8178.3-179.30112.5R579 F580 K587R579-K583 WeakPolarHBondContact O-CB 3.5Å; R579-K583 WeakPolarHBondContact O-CG 3.35Å; R579-K583 PolarHBondContact O-N 3.34Å; F580-K583 PolarHBondContact O-N 3.01Å; K583-K587 WeakPolarHBondContact O-CB 3.36Å; K583-K587 VanDerWaalsContact O-CG 3.26Å; K583-K587 WeakPolarHBondContact O-CG 3.46Å; K583-K587 PolarHBondContact O-N 2.92Å
584K68.5Low71Confident138 Ų138110.1 Ų110.160%0.652%0.524SS*.Hα-helixtrans-73.7-45.5175.2-159175.3-178.4-177.50111.4F580 L581 M582 K587 A588F580-K584 PolarHBondContact O-N 3.1Å; L581-K584 CarbonylContact O-C 3.56Å; L581-K584 WeakPolarHBondContact O-CA 3.47Å; L581-K584 WeakPolarHBondContact O-CB 3.43Å; L581-K584 PolarHBondContact O-N 2.93Å; L581-K584 VanDerWaalsContact O-N 3.13Å; M582-K584 PolarHBondContact O-N 3.26Å; K584-K587 PolarHBondContact O-N 3.06Å; K584-A588 PolarHBondContact O-N 2.77Å
585K68.4Low70Confident138 Ų138117.2 Ų117.260%0.655%0.554SS**Hα-helixtrans-58.9-53.2172.6-83.3-165.6173.2-173.50112.3L581 M582 K587 A588 E589L581-K585 PolarHBondContact O-N 2.69Å; M582-K585 PolarHBondContact O-N 3.32Å; K585-K587 PolarHBondContact O-N 3.01Å; K585-K587 VanDerWaalsContact O-N 3.16Å; K585-A588 CarbonylContact O-C 3.6Å; K585-A588 WeakPolarHBondContact O-CA 3.33Å; K585-A588 WeakPolarHBondContact O-CB 3.33Å; K585-A588 PolarHBondContact O-N 3.45Å; K585-E589 WeakPolarHBondContact O-CG 3.46Å; K585-E589 PolarHBondContact O-N 3.45Å
586V71.6Confident69.3Low67 Ų67117.2 Ų117.241%0.40656%0.558SS.*Hα-helixtrans-62.1-28.5179.3175.80000112.4M582 K590M582-V586 WeakPolarHBondContact O-CG2 3.42Å; M582-V586 PolarHBondContact O-N 3.37Å; V586-K590 HydrophobicContact CG1-CD 4.25Å; V586-K590 VanDerWaalsContact O-CB 3.28Å; V586-K590 WeakPolarHBondContact O-CB 3.38Å; V586-K590 VanDerWaalsContact O-CG 3.26Å; V586-K590 WeakPolarHBondContact O-CG 3.26Å; V586-K590 PolarHBondContact O-N 2.83Å; V586-K590 VanDerWaalsContact O-N 3.15Å
587K70Confident68.5Low159 Ų159116 Ų11669%0.69155%0.553SS**Hα-helixtrans-75-30.6170.2-80.4-179176.6-173.50113.2K583 K584 K585 K591K583-K587 WeakPolarHBondContact O-CB 3.36Å; K583-K587 VanDerWaalsContact O-CG 3.26Å; K583-K587 WeakPolarHBondContact O-CG 3.46Å; K583-K587 PolarHBondContact O-N 2.92Å; K584-K587 PolarHBondContact O-N 3.06Å; K585-K587 PolarHBondContact O-N 3.01Å; K585-K587 VanDerWaalsContact O-N 3.16Å; K587-K591 WeakPolarHBondContact O-CG 3.28Å; K587-K591 PolarHBondContact O-N 3.19Å
588A69Low67.7Low44 Ų44118 Ų11836%0.36456%0.561SS.*Hα-helixtrans-72.5-52.2173.500000110.9K584 K585 K590 K591 E592K584-A588 PolarHBondContact O-N 2.77Å; K585-A588 CarbonylContact O-C 3.6Å; K585-A588 WeakPolarHBondContact O-CA 3.33Å; K585-A588 WeakPolarHBondContact O-CB 3.33Å; K585-A588 PolarHBondContact O-N 3.45Å; A588-K590 VanDerWaalsContact C-N 3.29Å; A588-K590 PolarHBondContact O-N 3.39Å; A588-K591 CarbonylContact O-C 3.53Å; A588-K591 WeakPolarHBondContact O-CA 3.46Å; A588-K591 WeakPolarHBondContact O-CB 3.34Å; A588-K591 PolarHBondContact O-N 3.12Å; A588-E592 PolarHBondContact O-N 3.26Å
589E72.4Confident67.1Low92 Ų92117.7 Ų117.743%0.4356%0.561SS.*Hα-helixtrans-54.9-42.5175.9-67.7155.4-166.900111.6K585 K591 E592 H593K585-E589 WeakPolarHBondContact O-CG 3.46Å; K585-E589 PolarHBondContact O-N 3.45Å; E589-K591 VanDerWaalsContact C-N 3.33Å; E589-K591 PolarHBondContact O-N 3.38Å; E589-E592 PolarHBondContact O-N 3.47Å; E589-H593 PolarHBondContact O-N 2.85Å
590K70.1Confident66.6Low145 Ų145115.9 Ų115.963%0.6356%0.558SS**Hα-helixtrans-70.5-22.9173.9-74.6-178.6176.8-176.70114.2V586 A588 K594V586-K590 HydrophobicContact CG1-CD 4.25Å; V586-K590 VanDerWaalsContact O-CB 3.28Å; V586-K590 WeakPolarHBondContact O-CB 3.38Å; V586-K590 VanDerWaalsContact O-CG 3.26Å; V586-K590 WeakPolarHBondContact O-CG 3.26Å; V586-K590 PolarHBondContact O-N 2.83Å; V586-K590 VanDerWaalsContact O-N 3.15Å; A588-K590 VanDerWaalsContact C-N 3.29Å; A588-K590 PolarHBondContact O-N 3.39Å; K590-K594 WeakPolarHBondContact O-CB 3.49Å; K590-K594 WeakPolarHBondContact O-CG 3.46Å; K590-K594 PolarHBondContact O-N 2.95Å
591K70.2Confident65.9Low157 Ų157114.4 Ų114.468%0.68355%0.553SS**Hα-helixtrans-77.6-37.5168.6-82.3-177.9173.9-170.40111.2K587 A588 E589 K594 K595K587-K591 WeakPolarHBondContact O-CG 3.28Å; K587-K591 PolarHBondContact O-N 3.19Å; A588-K591 CarbonylContact O-C 3.53Å; A588-K591 WeakPolarHBondContact O-CA 3.46Å; A588-K591 WeakPolarHBondContact O-CB 3.34Å; A588-K591 PolarHBondContact O-N 3.12Å; E589-K591 VanDerWaalsContact C-N 3.33Å; E589-K591 PolarHBondContact O-N 3.38Å; K591-K594 PolarHBondContact O-N 3.22Å; K591-K595 WeakPolarHBondContact O-CG 3.25Å; K591-K595 PolarHBondContact O-N 2.86Å
592E68.3Low64.9Low128 Ų128118.6 Ų118.660%0.59857%0.568SS**Hα-helixtrans-71.2-44.8178.7-71.4179.214400111.9A588 E589 K594 K595 A596A588-E592 PolarHBondContact O-N 3.26Å; E589-E592 PolarHBondContact O-N 3.47Å; E592-K594 VanDerWaalsContact C-N 3.26Å; E592-K594 PolarHBondContact O-N 3.38Å; E592-K595 CarbonylContact O-C 3.19Å; E592-K595 WeakPolarHBondContact O-CB 3.45Å; E592-K595 PolarHBondContact O-N 2.99Å; E592-A596 WeakPolarHBondContact O-CB 3.31Å; E592-A596 PolarHBondContact O-N 3.3Å
593H70.8Confident64Low150 Ų150117 Ų11769%0.69457%0.57SS**Hα-helixtrans-59.1-36.9171.1-97.5-54.3000112.5E589 A596 S597E589-H593 PolarHBondContact O-N 2.85Å; H593-A596 PolarHBondContact O-N 3.28Å; H593-S597 PolarHBondContact O-N 2.91Å; H593-S597 PolarHBondContact O-OG 3.27Å
594K68.7Low62.9Low155 Ų155116 Ų11667%0.67457%0.568SS**Hα-helixtrans-70.5-33.3172.9-79.2-171.3172.4-162.50113.5K590 K591 E592 S597 N598K590-K594 WeakPolarHBondContact O-CB 3.49Å; K590-K594 WeakPolarHBondContact O-CG 3.46Å; K590-K594 PolarHBondContact O-N 2.95Å; K591-K594 PolarHBondContact O-N 3.22Å; E592-K594 VanDerWaalsContact C-N 3.26Å; E592-K594 PolarHBondContact O-N 3.38Å; K594-S597 WeakPolarHBondContact CA-OG 3.44Å; K594-S597 PolarHBondContact O-OG 3.13Å; K594-N598 WeakPolarHBondContact O-CB 3.42Å; K594-N598 VanDerWaalsContact O-CG 3.32Å; K594-N598 PolarHBondContact O-N 2.82Å; K594-N598 PolarHBondContact O-OD1 2.85Å
595K66.4Low61.6Low160 Ų160115 Ų11570%0.69657%0.57SS**Hα-helixtrans-66.7-41.3169.8-78.9-176.9171.9-171.80111K591 E592 N598 S599K591-K595 WeakPolarHBondContact O-CG 3.25Å; K591-K595 PolarHBondContact O-N 2.86Å; E592-K595 CarbonylContact O-C 3.19Å; E592-K595 WeakPolarHBondContact O-CB 3.45Å; E592-K595 PolarHBondContact O-N 2.99Å; K595-N598 PolarHBondContact O-N 3.16Å; K595-S599 WeakPolarHBondContact O-CB 3.42Å; K595-S599 PolarHBondContact O-N 3.33Å; K595-S599 PolarHBondContact O-OG 2.85Å
596A64.8Low60.3Low44 Ų44110.6 Ų110.636%0.36456%0.563SS.*Hα-helixtrans-70.6-33.1-179.500000113.4E592 H593 S599 K600E592-A596 WeakPolarHBondContact O-CB 3.31Å; E592-A596 PolarHBondContact O-N 3.3Å; H593-A596 PolarHBondContact O-N 3.28Å; A596-S599 WeakPolarHBondContact CA-OG 3.26Å; A596-S599 PolarHBondContact O-OG 2.81Å; A596-S599 VanDerWaalsContact O-OG 3.13Å; A596-K600 WeakPolarHBondContact O-CG 3.35Å; A596-K600 PolarHBondContact O-N 3.23Å
597S62.8Low58.9Low57 Ų57112 Ų11240%0.39957%0.572SS.*Hα-helixtrans-66.7-44.5169.458.70000111.2H593 K594 S599 K600 Q601H593-S597 PolarHBondContact O-N 2.91Å; H593-S597 PolarHBondContact O-OG 3.27Å; K594-S597 WeakPolarHBondContact CA-OG 3.44Å; K594-S597 PolarHBondContact O-OG 3.13Å; S597-S599 PolarHBondContact O-N 2.96Å; S597-K600 PolarHBondContact O-N 3.22Å; S597-Q601 PolarHBondContact O-N 3.16Å; S597-Q601 VanDerWaalsContact O-N 3.11Å
598N57.9Low57.5Low100 Ų100111.1 Ų111.154%0.53557%0.57SS.*Hα-helixtrans-70.2-30.8179.9-72.728.4000112.7K594 K595 K602K594-N598 WeakPolarHBondContact O-CB 3.42Å; K594-N598 VanDerWaalsContact O-CG 3.32Å; K594-N598 PolarHBondContact O-N 2.82Å; K594-N598 PolarHBondContact O-OD1 2.85Å; K595-N598 PolarHBondContact O-N 3.16Å; N598-K602 PolarHBondContact O-N 2.85Å
599S57.1Low56.1Low73 Ų73113.9 Ų113.951%0.5158%0.583SS.*Hα-helixtrans-72.5-35.7174.667.70000112K595 A596 S597 K602 G603K595-S599 WeakPolarHBondContact O-CB 3.42Å; K595-S599 PolarHBondContact O-N 3.33Å; K595-S599 PolarHBondContact O-OG 2.85Å; A596-S599 WeakPolarHBondContact CA-OG 3.26Å; A596-S599 PolarHBondContact O-OG 2.81Å; A596-S599 VanDerWaalsContact O-OG 3.13Å; S597-S599 PolarHBondContact O-N 2.96Å; S599-K602 PolarHBondContact O-N 3.27Å; S599-G603 PolarHBondContact O-N 3.15Å
600K53.2Low54.5Low159 Ų159113.3 Ų113.369%0.69159%0.593SS**Hα-helixtrans-62.2-46.8170.9-77.7-170.2172.8-166.90112A596 S597 K602 G603 E604A596-K600 WeakPolarHBondContact O-CG 3.35Å; A596-K600 PolarHBondContact O-N 3.23Å; S597-K600 PolarHBondContact O-N 3.22Å; K600-K602 VanDerWaalsContact C-N 3.29Å; K600-K602 PolarHBondContact O-N 2.86Å; K600-G603 WeakPolarHBondContact O-CA 3.35Å; K600-G603 PolarHBondContact O-N 3.41Å; K600-E604 PolarHBondContact O-N 3.45Å
601Q52.2Low53.1Low124 Ų124113.8 Ų113.858%0.57960%0.598SS**Hα-helixtrans-62.4-32.6175.1-72.6-174.5-45.300113.4S597 N605S597-Q601 PolarHBondContact O-N 3.16Å; S597-Q601 VanDerWaalsContact O-N 3.11Å; Q601-N605 PolarHBondContact O-N 2.66Å
602K47.9Very low51.7Low172 Ų172114 Ų11475%0.74860%0.601SS**Hα-helixtrans-72.6-30.2170.6-83-162.8169.5-166.50113.5N598 S599 K600 G606N598-K602 PolarHBondContact O-N 2.85Å; S599-K602 PolarHBondContact O-N 3.27Å; K600-K602 VanDerWaalsContact C-N 3.29Å; K600-K602 PolarHBondContact O-N 2.86Å; K602-G606 PolarHBondContact O-N 2.97Å
603G45.2Very low50.2Low40 Ų40116.1 Ų116.141%0.41261%0.611SS.*Hα-helixtrans-64.6-49.9174.600000112.3S599 K600 N605 G606 T607S599-G603 PolarHBondContact O-N 3.15Å; K600-G603 WeakPolarHBondContact O-CA 3.35Å; K600-G603 PolarHBondContact O-N 3.41Å; G603-N605 VanDerWaalsContact C-N 3.33Å; G603-N605 PolarHBondContact O-N 3.38Å; G603-G606 PolarHBondContact O-N 3.28Å; G603-T607 PolarHBondContact O-N 3.39Å; G603-T607 PolarHBondContact O-OG1 2.65Å
604E45.5Very low48.7Very low134 Ų134116 Ų11663%0.62662%0.616SS**Hα-helixtrans-62.9-37.2-178.7-68.3174.1139.200112.5K600 G606K600-E604 PolarHBondContact O-N 3.45Å; E604-G606 VanDerWaalsContact C-N 3.31Å; E604-G606 PolarHBondContact O-N 3.4Å
605N42.2Very low47.2Very low118 Ų118117.6 Ų117.663%0.63162%0.623SS**Hα-helixtrans-71.7-21.9173.2-77.2-5000113.6Q601 G603Q601-N605 PolarHBondContact O-N 2.66Å; G603-N605 VanDerWaalsContact C-N 3.33Å; G603-N605 PolarHBondContact O-N 3.38Å
606G41.1Very low45.8Very low45 Ų45119.4 Ų119.446%0.46463%0.631SS.*Hα-helixtrans-75.8-30.6177.600000113.6K602 G603 E604 T609K602-G606 PolarHBondContact O-N 2.97Å; G603-G606 PolarHBondContact O-N 3.28Å; E604-G606 VanDerWaalsContact C-N 3.31Å; E604-G606 PolarHBondContact O-N 3.4Å; G606-T609 PolarHBondContact O-OG1 3.11Å
607T40.5Very low44.4Very low97 Ų97126.7 Ų126.760%0.59565%0.654SS**Hα-helixtrans-80.1-20.5-177.8-30.90000113.2G603G603-T607 PolarHBondContact O-N 3.39Å; G603-T607 PolarHBondContact O-OG1 2.65Å
608Q41.8Very low43.3Very low140 Ų140133.4 Ų133.465%0.65468%0.676SS**Hα-helixtrans-80.5-28.9-177.2-66.1-169.79.500114
609T40.1Very low42.1Very low102 Ų102135.6 Ų135.663%0.62669%0.693SS**Hα-helixtrans-72.7-27.6-18020.90000113.7G606 Q611G606-T609 PolarHBondContact O-OG1 3.11Å; T609-Q611 PolarHBondContact O-N 2.89Å
610A38Very low40.9Very low79 Ų79142.6 Ų142.665%0.65371%0.714SS**THydrogen-bonded Turntrans-70.3-27.8179.600000113.7
611Q40.4Very low39.8Very low155 Ų155138.6 Ų138.672%0.72472%0.718SS**THydrogen-bonded Turntrans-92.1-1.4-175-67.2-168-8.100115.1T609T609-Q611 PolarHBondContact O-N 2.89Å
612Q40.4Very low38.8Very low162 Ų162142.2 Ų142.276%0.75773%0.732SS**SBendtrans-95.5-9.6-179.6-78.7-164.6-2.800115.5
613Q37.5Very low38Very low173 Ų173139.8 Ų139.881%0.80873%0.732SS**SBendtrans-85.1-35.7179.8-67.8-168.3-12.500113.6K615Q613-K615 PolarHBondContact O-N 3.17Å
614D39.7Very low37.2Very low148 Ų148145.4 Ų145.479%0.79175%0.747SS**G310 helixtrans-73.4-26.9-177.4-106.6-44.4000114.8K616D614-K616 PolarHBondContact O-N 2.92Å
615K37.2Very low36.4Very low187 Ų187147.7 Ų147.781%0.81376%0.755SS**G310 helixtrans-796.5-177.4-78.8-175.7174.8176.50115Q613Q613-K615 PolarHBondContact O-N 3.17Å
616K35.9Very low35.8Very low198 Ų198147.3 Ų147.386%0.86177%0.768SS**G310 helixtrans-98.35.4179.9-120.8175.3-176.7176.60115.5D614D614-K616 PolarHBondContact O-N 2.92Å
617K36.8Very low35.1Very low198 Ų198148.2 Ų148.286%0.86178%0.777SS**SBendtrans-112.80.7-176-120.7178.4-177.4179.10116.8
618K38.9Very low34.7Very low198 Ų198153 Ų15386%0.86179%0.793SS**SBendtrans-13662.3-179.3-75.9-168.5175-1790115.1
619T33.5Very low34.1Very low145 Ų145155 Ų15589%0.8980%0.8SS**  trans-164.963.4154.817.40000112.6
620K30.8Very low33.7Very low220 Ų220160 Ų16096%0.95781%0.813SS**  trans-124.5103.5156.3-90.4-168.1173.9-174.80107.9
621G30.7Very low33.2Very low75 Ų75160.2 Ų160.277%0.77382%0.823SS**  trans160.670.8179.400000116.1
622K30.7Very low32.8Very low200 Ų200162.5 Ų162.587%0.8783%0.83SS**  trans170.6138.9132.8-96178178.3-175.90112.3
623V30.5Very low33.2Very low122 Ų122159.7 Ų159.774%0.73983%0.826SS**  trans48.599.9140.9-175.40000116.7
624Q29.2Very low32.9Very low157 Ų157161.2 Ų161.273%0.73483%0.83SS**  84.2134.469.1-81.4-164.419.100116.3
625K29.6Very low32.6Very low182 Ų182159 Ų15979%0.79183%0.832SS**  trans68.7119.7150.7-71.9179.5177.9-179.60121.5
626A29.6Very low32.4Very low110 Ų110154.6 Ų154.691%0.90983%0.831SS**  trans64.5149.1143.700000119.8
627G26.3Very low32.3Very low64 Ų64152.5 Ų152.566%0.6684%0.835SS**  cis168.5166-9.500000113.8
628Q30.5Very low32.2Very low197 Ų197150.1 Ų150.192%0.92183%0.826SS**  trans64.6175.4173.9-53.1-17212.300117.4
629K30.7Very low32.1Very low183 Ų183149.8 Ų149.880%0.79683%0.825SS**  -167.3146-70.3-137.5176.5-176.9173.40109.4
630K30.4Very low31.9Very low207 Ų207146.9 Ų146.990%0.982%0.824SS**  trans69.6150.3165.6-56.6179175.2-178.60117.5
631G28.6Very low31.9Very low84 Ų84140.5 Ų140.587%0.86682%0.821SS**  trans15584.8176.200000114.3
632K30.6Very low32.1Very low203 Ų203142 Ų14288%0.88382%0.819SS**  trans-130.7169.3175-110.7-177.9-176.8178.50107
633P48.9Very low32.3Very low103 Ų103141.9 Ų141.967%0.66982%0.819SS**  cis-141.7-178.5-6.138-16.9000116.7
634K31.9Very low32.5Very low204 Ų204144.2 Ų144.289%0.88783%0.826SS**  trans32.7124.1142.5-66.5174.9175.4-1740122.7
635A32.6Very low32.7Very low101 Ų101140.2 Ų140.284%0.83583%0.827SS**  -176.9142.7110.600000109.6
636A34.8Very low33Very low96 Ų96135.5 Ų135.579%0.79383%0.83SS**  cis104858.100000116.9
637V32.8Very low33.2Very low154 Ų154135.1 Ų135.193%0.93383%0.827SS**  trans-140.7154.4162.6-179.30000109.4
638Q33.7Very low33.7Very low147 Ų147141.8 Ų141.869%0.68784%0.838SS**  trans-116.2154.2-172.8-86-167.321.800115.1
639K37Very low33.9Very low191 Ų191140.4 Ų140.483%0.8384%0.836SS**  trans51.9133.1143.3-68.9172.5-178.4158.80121.5
640G29.8Very low34.3Very low84 Ų84141.7 Ų141.787%0.86684%0.841SS**  trans141.3138.1140.800000115.4
641G31.4Very low35.1Very low87 Ų87141.4 Ų141.490%0.89784%0.84SS**  trans131129.8165.900000115.9
642S35.2Very low35.9Very low105 Ų105146.2 Ų146.273%0.73484%0.837SS**  trans-115.8158.1-17455.70000113.5
643K33.8Very low36.6Very low198 Ų198142.5 Ų142.586%0.86183%0.827SS**  trans164.5140.6148.6-94.4159.3-172.7179.90110
644L35.4Very low36.5Very low171 Ų171152.7 Ų152.790%0.89585%0.852SS**  cis67.8130.122.7-63.2168.3000115.8
645G32.4Very low36.7Very low74 Ų74150.1 Ų150.176%0.76385%0.85SS**  cis151.5141.1-800000113.6
646G35.8Very low37Very low83 Ų83152.7 Ų152.786%0.85685%0.851SS**  trans95.5166.2172.300000115.9
647A35.5Very low37.1Very low101 Ų101155.8 Ų155.884%0.83585%0.854SS**  cis-154.4168.4-3.200000112.5
648K36.8Very low37.3Very low205 Ų205155.9 Ų155.989%0.89185%0.85SS**  trans-106.1150.4169.8-73.1175.1177.1169.90110.1
649L34.3Very low37.6Very low167 Ų167156.5 Ų156.587%0.87486%0.86SS**  trans-110.8149.8165.9-109.976.2000113
650K37.9Very low37.6Very low210 Ų210154.2 Ų154.291%0.91386%0.862SS**  trans-148.2136.7167.9-119.2-174.5179.8-177.50106.6
651K48.5Very low38.2Very low202 Ų202159.2 Ų159.288%0.87886%0.862SS**  trans-137.5130.2168.2-101.6-175.3175.3-179.50112.1
652K45.7Very low38.7Very low185 Ų185164.8 Ų164.880%0.80486%0.859SS**  trans-101.8168.1142.7-87.6-170.1156.5-1630105.8
653N44.8Very low39Very low125 Ų125169.8 Ų169.867%0.66887%0.869SS**  cis-153.1152.3-1.5-133.445.8000106.1
654R46.8Very low39.4Very low316 Ų316167.2 Ų167.2100%1.19287%0.87SS**  trans-151.50136.2-123.4-179.8-176.3-172.60.2108.1

Retrieved 654 of 654 residues in 802.1 ms (Link to these results)

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