A0A087XGH7_POEFO Loading...

Activating transcription factor 6 beta

AlphaFold DB , UniProt , Accession A0A087XGH7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 715 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
1M48.6Very low52Low209 Ų209101.4 Ų101.4100%1.0358%0.577SS**  0-42.10-68.9-172.5-178.800113.5D4M1-D4 VanDerWaalsContact C-OD2 3.24Å; M1-D4 WeakPolarHBondContact CA-OD2 3.48Å; M1-D4 PolarHBondContact N-OD2 3.31Å
2T46.2Very low52.4Low124 Ų124105.2 Ų105.276%0.76158%0.575SS**Hα-helixtrans-84.7-37.9176.441.40000113.6
3A47.8Very low53.2Low69 Ų69105.2 Ų105.257%0.5757%0.566SS**Hα-helixtrans-64-42.7177.500000112.2L5 L6 S7A3-L5 PolarHBondContact O-N 3.41Å; A3-L6 WeakPolarHBondContact O-CB 3.43Å; A3-L6 PolarHBondContact O-N 3.12Å; A3-S7 PolarHBondContact O-N 3.14Å; A3-S7 PolarHBondContact O-OG 3.32Å
4D48.6Very low53.4Low97 Ų97101.6 Ų101.652%0.51954%0.543SS..Hα-helixtrans-60.2-35.1-176.5-34.6-95.8000111.4M1 L6 S7 D8M1-D4 VanDerWaalsContact C-OD2 3.24Å; M1-D4 WeakPolarHBondContact CA-OD2 3.48Å; M1-D4 PolarHBondContact N-OD2 3.31Å; D4-L6 VanDerWaalsContact C-N 3.35Å; D4-S7 WeakPolarHBondContact CA-OG 3.41Å; D4-S7 PolarHBondContact O-OG 2.6Å; D4-D8 WeakPolarHBondContact O-CB 3.49Å; D4-D8 PolarHBondContact O-N 3.49Å
5L51.6Low53.5Low119 Ų11999.1 Ų99.162%0.62354%0.543SS*.Hα-helixtrans-72.2-25.8179.6-143.685.9000113.3A3 L9A3-L5 PolarHBondContact O-N 3.41Å; L5-L9 WeakPolarHBondContact O-CD1 3.27Å; L5-L9 WeakPolarHBondContact O-CG 3.2Å; L5-L9 PolarHBondContact O-N 3.02Å
6L51.3Low53.6Low107 Ų107101.3 Ų101.356%0.5655%0.553SS**Hα-helixtrans-75.5-48.8174.1-85.5154000110.2A3 D4 D8 L9 D10A3-L6 WeakPolarHBondContact O-CB 3.43Å; A3-L6 PolarHBondContact O-N 3.12Å; D4-L6 VanDerWaalsContact C-N 3.35Å; L6-D8 PolarHBondContact O-N 3.39Å; L6-L9 PolarHBondContact O-N 3.48Å; L6-D10 PolarHBondContact O-N 3.17Å
7S55.6Low54.2Low69 Ų6999.1 Ų99.148%0.48354%0.541SS..Hα-helixtrans-58-32.4172.843.80000113A3 D4 L9 S11A3-S7 PolarHBondContact O-N 3.14Å; A3-S7 PolarHBondContact O-OG 3.32Å; D4-S7 WeakPolarHBondContact CA-OG 3.41Å; D4-S7 PolarHBondContact O-OG 2.6Å; S7-L9 VanDerWaalsContact C-N 3.34Å; S7-S11 WeakPolarHBondContact O-CB 3.39Å; S7-S11 PolarHBondContact O-N 2.85Å; S7-S11 PolarHBondContact O-OG 2.96Å
8D51.8Low54.2Low75 Ų75100.1 Ų100.140%0.40155%0.545SS..Hα-helixtrans-73.7-21.6175.4-119.551.4000113.8D4 L6 R12D4-D8 WeakPolarHBondContact O-CB 3.49Å; D4-D8 PolarHBondContact O-N 3.49Å; L6-D8 PolarHBondContact O-N 3.39Å; D8-R12 WeakPolarHBondContact O-CD 3.34Å; D8-R12 WeakPolarHBondContact O-CG 2.99Å; D8-R12 PolarHBondContact O-NE 3.13Å; D8-R12 IonicContact OD2-CZ 3.76Å; D8-R12 IonicContact OD2-NE 3.47Å; D8-R12 IonicContact OD2-NH2 2.58Å; D8-R12 PolarHBondContact OD2-NH2 3.38Å
9L56Low54.3Low107 Ų10796.6 Ų96.656%0.5653%0.525SS*.Hα-helixtrans-87.4-43.8174.1-74.6167.6000111.1L5 L6 S7 R12 F13L5-L9 WeakPolarHBondContact O-CD1 3.27Å; L5-L9 WeakPolarHBondContact O-CG 3.2Å; L5-L9 PolarHBondContact O-N 3.02Å; L6-L9 PolarHBondContact O-N 3.48Å; S7-L9 VanDerWaalsContact C-N 3.34Å; L9-R12 PolarHBondContact O-N 3.36Å; L9-F13 WeakPolarHBondContact O-CB 3.26Å; L9-F13 PolarHBondContact O-N 3.42Å
10D56Low54.4Low81 Ų8195.1 Ų95.143%0.43352%0.519SS..Hα-helixtrans-65.8-43.5178.1-69.6-35.2000111.3L6 R12 F13 F14L6-D10 PolarHBondContact O-N 3.17Å; D10-R12 VanDerWaalsContact C-N 3.33Å; D10-R12 PolarHBondContact O-N 3.17Å; D10-F13 CarbonylContact O-C 3.57Å; D10-F13 WeakPolarHBondContact O-CB 3.45Å; D10-F13 PolarHBondContact O-N 3.42Å; D10-F13 VanDerWaalsContact O-N 3.12Å; D10-F14 HydrophobicContact CB-CD2 4.42Å; D10-F14 HydrophobicContact CB-CE2 3.91Å; D10-F14 WeakPolarHBondContact O-CD2 3.21Å; D10-F14 VanDerWaalsContact O-CG 3.3Å; D10-F14 WeakPolarHBondContact O-CG 3.27Å; D10-F14 PolarHBondContact O-N 3.5Å
11S58.1Low54.3Low58 Ų5894.3 Ų94.341%0.40652%0.521SS..Hα-helixtrans-61.1-37.5175.457.20000113.3S7 A15S7-S11 WeakPolarHBondContact O-CB 3.39Å; S7-S11 PolarHBondContact O-N 2.85Å; S7-S11 PolarHBondContact O-OG 2.96Å; S11-A15 WeakPolarHBondContact O-CB 3.33Å; S11-A15 PolarHBondContact O-N 3.16Å
12R57.5Low54.6Low147 Ų14791.3 Ų91.356%0.55551%0.505SS*.Hα-helixtrans-67.9-41.7172.4-68171.1-152.2-134.74.2111.3D8 L9 D10 F14 A15 D16D8-R12 WeakPolarHBondContact O-CD 3.34Å; D8-R12 WeakPolarHBondContact O-CG 2.99Å; D8-R12 PolarHBondContact O-NE 3.13Å; D8-R12 IonicContact OD2-CZ 3.76Å; D8-R12 IonicContact OD2-NE 3.47Å; D8-R12 IonicContact OD2-NH2 2.58Å; D8-R12 PolarHBondContact OD2-NH2 3.38Å; L9-R12 PolarHBondContact O-N 3.36Å; D10-R12 VanDerWaalsContact C-N 3.33Å; D10-R12 PolarHBondContact O-N 3.17Å; R12-F14 PolarHBondContact O-N 2.77Å; R12-A15 PolarHBondContact O-N 3.1Å; R12-D16 WeakPolarHBondContact O-CB 3.47Å; R12-D16 PolarHBondContact O-N 2.86Å
13F62.7Low54.9Low105 Ų10589.7 Ų89.746%0.46149%0.491SS..Hα-helixtrans-61.4-42.2175178.6-98.2000112.1L9 D10 N17L9-F13 WeakPolarHBondContact O-CB 3.26Å; L9-F13 PolarHBondContact O-N 3.42Å; D10-F13 CarbonylContact O-C 3.57Å; D10-F13 WeakPolarHBondContact O-CB 3.45Å; D10-F13 PolarHBondContact O-N 3.42Å; D10-F13 VanDerWaalsContact O-N 3.12Å; F13-N17 VanDerWaalsContact O-CB 3.31Å; F13-N17 WeakPolarHBondContact O-CB 3.29Å; F13-N17 PolarHBondContact O-N 3.45Å; F13-N17 PolarHBondContact O-ND2 2.86Å
14F55.5Low55.2Low55 Ų5592.7 Ų92.724%0.24149%0.488CS..Hα-helixtrans-65.3-45.1174.8-63.6-48.3000111.8D10 R12 N17 L18 L19 W24D10-F14 HydrophobicContact CB-CD2 4.42Å; D10-F14 HydrophobicContact CB-CE2 3.91Å; D10-F14 WeakPolarHBondContact O-CD2 3.21Å; D10-F14 VanDerWaalsContact O-CG 3.3Å; D10-F14 WeakPolarHBondContact O-CG 3.27Å; D10-F14 PolarHBondContact O-N 3.5Å; R12-F14 PolarHBondContact O-N 2.77Å; F14-N17 CarbonylContact O-C 3.56Å; F14-N17 PolarHBondContact O-N 3.43Å; F14-L18 PolarHBondContact O-N 3.1Å; F14-L19 HydrophobicContact CB-CB 4.42Å; F14-L19 HydrophobicContact CD1-CB 4.08Å; F14-L19 HydrophobicContact CD1-CD1 4.22Å; F14-L19 PolarHBondContact O-N 3.01Å; F14-W24 AromaticContact CE1-CD1 3.59Å; F14-W24 HydrophobicContact CE1-CG 4.26Å; F14-W24 AromaticContact CE1-NE1 3.84Å
15A55.6Low55.1Low65 Ų6592.3 Ų92.354%0.53749%0.486SS..Hα-helixtrans-62.1-49.6177.700000112.8S11 R12 N17 L18S11-A15 WeakPolarHBondContact O-CB 3.33Å; S11-A15 PolarHBondContact O-N 3.16Å; R12-A15 PolarHBondContact O-N 3.1Å; A15-N17 PolarHBondContact O-N 2.89Å; A15-L18 PolarHBondContact O-N 3.41Å; A15-L18 VanDerWaalsContact O-N 3.16Å
16D55.6Low54.9Low134 Ų13489.6 Ų89.672%0.71748%0.481SS*.Hα-helixtrans-64.4-22.8179-77.6-16.4000112.8R12R12-D16 WeakPolarHBondContact O-CB 3.47Å; R12-D16 PolarHBondContact O-N 2.86Å
17N62.6Low54.6Low63 Ų6388.5 Ų88.534%0.33748%0.481SS..Hα-helixtrans-100.1-0.8177.5-75.3-88.5000114.6F13 F14 A15 L19F13-N17 VanDerWaalsContact O-CB 3.31Å; F13-N17 WeakPolarHBondContact O-CB 3.29Å; F13-N17 PolarHBondContact O-N 3.45Å; F13-N17 PolarHBondContact O-ND2 2.86Å; F14-N17 CarbonylContact O-C 3.56Å; F14-N17 PolarHBondContact O-N 3.43Å; A15-N17 PolarHBondContact O-N 2.89Å; N17-L19 HydrophobicContact CB-CD1 3.9Å; N17-L19 HydrophobicContact CB-CG 4.06Å
18L54.7Low54Low117 Ų11789.8 Ų89.861%0.61348%0.482SS*.THydrogen-bonded Turntrans54.145.3-174.6-56175.3000113.3F14 A15 I316F14-L18 PolarHBondContact O-N 3.1Å; A15-L18 PolarHBondContact O-N 3.41Å; A15-L18 VanDerWaalsContact O-N 3.16Å; L18-I316 HydrophobicContact CD1-CD1 4.35Å
19L56.7Low53.6Low34 Ų3493.4 Ų93.418%0.17849%0.494CS..  trans-104.6138.9176.2-65.3168.7000110.4F14 N17F14-L19 HydrophobicContact CB-CB 4.42Å; F14-L19 HydrophobicContact CD1-CB 4.08Å; F14-L19 HydrophobicContact CD1-CD1 4.22Å; F14-L19 PolarHBondContact O-N 3.01Å; N17-L19 HydrophobicContact CB-CD1 3.9Å; N17-L19 HydrophobicContact CB-CG 4.06Å
20T56.4Low53Low66 Ų6696.6 Ų96.641%0.40550%0.504SS..  trans-81.6164.1158.465.60000109.6E22 D23T20-E22 VanDerWaalsContact C-N 3.25Å; T20-E22 PolarHBondContact O-N 3.09Å; T20-D23 PolarHBondContact OG1-N 3.42Å
21S51.3Low52Low80 Ų8097.9 Ų97.956%0.55952%0.518SS*.SBendtrans-63-35.817045.60000111.8D23 W24 D25S21-D23 VanDerWaalsContact C-N 3.34Å; S21-D23 PolarHBondContact O-N 3.25Å; S21-W24 WeakPolarHBondContact O-CB 3.3Å; S21-W24 PolarHBondContact O-N 2.96Å; S21-W24 VanDerWaalsContact O-N 3.12Å; S21-D25 PolarHBondContact O-N 2.76Å
22E54.9Low51Low146 Ų146101.8 Ų101.868%0.68253%0.53SS*.Hα-helixtrans-65.2-33.3-177.6-59.1168.4135.200112.8T20 W24 A26T20-E22 VanDerWaalsContact C-N 3.25Å; T20-E22 PolarHBondContact O-N 3.09Å; E22-W24 PolarHBondContact O-N 3.05Å; E22-A26 WeakPolarHBondContact O-CB 3.35Å; E22-A26 PolarHBondContact O-N 3.28Å; E22-A26 VanDerWaalsContact O-N 3.15Å
23D53.3Low50.1Low90 Ų9099.5 Ų99.548%0.48154%0.536SS..Hα-helixtrans-62.7-24.5174.4-86.1-29.9000113T20 S21 C27T20-D23 PolarHBondContact OG1-N 3.42Å; S21-D23 VanDerWaalsContact C-N 3.34Å; S21-D23 PolarHBondContact O-N 3.25Å; D23-C27 PolarHBondContact O-SG 3.28Å
24W52.8Low49Very low132 Ų132102.7 Ų102.750%0.556%0.555SS.*Hα-helixtrans-83.5-48.1179.8-119.792.4000111.9F14 S21 E22 A26 C27 L28F14-W24 AromaticContact CE1-CD1 3.59Å; F14-W24 HydrophobicContact CE1-CG 4.26Å; F14-W24 AromaticContact CE1-NE1 3.84Å; S21-W24 WeakPolarHBondContact O-CB 3.3Å; S21-W24 PolarHBondContact O-N 2.96Å; S21-W24 VanDerWaalsContact O-N 3.12Å; E22-W24 PolarHBondContact O-N 3.05Å; W24-A26 VanDerWaalsContact C-N 3.27Å; W24-A26 PolarHBondContact O-N 2.9Å; W24-C27 WeakPolarHBondContact O-CB 3.42Å; W24-C27 PolarHBondContact O-N 2.65Å; W24-L28 HydrophobicContact CE3-CD1 3.95Å; W24-L28 HydrophobicContact CZ3-CD1 4.02Å
25D47.8Very low48.4Very low88 Ų88108.7 Ų108.747%0.47158%0.583SS.*Hα-helixtrans-62.7-35.7178-68.7-24.5000111.7S21 C27 L28 F29S21-D25 PolarHBondContact O-N 2.76Å; D25-C27 PolarHBondContact O-N 3.24Å; D25-L28 PolarHBondContact O-N 2.97Å; D25-F29 HydrophobicContact CB-CD2 4.3Å; D25-F29 HydrophobicContact CB-CE2 4.37Å; D25-F29 WeakPolarHBondContact O-CD2 3.44Å; D25-F29 PolarHBondContact O-N 3.43Å; D25-F29 VanDerWaalsContact O-N 3.07Å
26A47.7Very low47.5Very low62 Ų62115.2 Ų115.251%0.51260%0.603SS.*Hα-helixtrans-59.1-17.7173.100000114.1E22 W24E22-A26 WeakPolarHBondContact O-CB 3.35Å; E22-A26 PolarHBondContact O-N 3.28Å; E22-A26 VanDerWaalsContact O-N 3.15Å; W24-A26 VanDerWaalsContact C-N 3.27Å; W24-A26 PolarHBondContact O-N 2.9Å
27C43.5Very low46.5Very low85 Ų85112.1 Ų112.157%0.57460%0.603SS**Hα-helixtrans-87.8-31.7172.9-650000113.2D23 W24 D25D23-C27 PolarHBondContact O-SG 3.28Å; W24-C27 WeakPolarHBondContact O-CB 3.42Å; W24-C27 PolarHBondContact O-N 2.65Å; D25-C27 PolarHBondContact O-N 3.24Å
28L43.9Very low45.3Very low96 Ų96118.3 Ų118.350%0.50363%0.63SS.*Hα-helixtrans-73.4-53175.7-92.978.2000111.4W24 D25 K30 C31 E32W24-L28 HydrophobicContact CE3-CD1 3.95Å; W24-L28 HydrophobicContact CZ3-CD1 4.02Å; D25-L28 PolarHBondContact O-N 2.97Å; L28-K30 PolarHBondContact O-N 3.22Å; L28-C31 PolarHBondContact O-N 2.95Å; L28-E32 PolarHBondContact O-N 3.15Å
29F42.6Very low44.5Very low150 Ų150120.6 Ų120.666%0.65864%0.643SS**THydrogen-bonded Turntrans-61.3-10.4-177.6-78-70000114.3D25D25-F29 HydrophobicContact CB-CD2 4.3Å; D25-F29 HydrophobicContact CB-CE2 4.37Å; D25-F29 WeakPolarHBondContact O-CD2 3.44Å; D25-F29 PolarHBondContact O-N 3.43Å; D25-F29 VanDerWaalsContact O-N 3.07Å
30K43Very low43.5Very low174 Ų174122.7 Ų122.776%0.75767%0.673SS**THydrogen-bonded Turntrans-100.5-0.7175-153.5169.3-166.280.40114.5L28L28-K30 PolarHBondContact O-N 3.22Å
31C35.9Very low42.3Very low108 Ų108126.3 Ų126.373%0.7369%0.69SS**THydrogen-bonded Turntrans-97.9-30.9168.6-78.90000112.1L28L28-C31 PolarHBondContact O-N 2.95Å
32E37.8Very low41.4Very low141 Ų141132.5 Ų132.566%0.65971%0.707SS**SBendtrans-77.8-26.3-173.7-154.2155.5-139.400113.5L28 M34L28-E32 PolarHBondContact O-N 3.15Å; E32-M34 PolarHBondContact O-N 3.41Å
33S36.8Very low40.4Very low99 Ų99130.3 Ų130.369%0.69271%0.708SS**THydrogen-bonded Turntrans-75.434.4-176.482.20000115.3
34M41.1Very low39.3Very low172 Ų172135.3 Ų135.385%0.84773%0.728SS**THydrogen-bonded Turntrans-15112.6179.2-143.5177.775.800114.8E32E32-M34 PolarHBondContact O-N 3.41Å
35E42.5Very low38.1Very low180 Ų180132.5 Ų132.584%0.84174%0.74SS**SBendtrans-14552179.2-163162.3-151.200113.3
36E36.7Very low37.3Very low202 Ų202136 Ų13694%0.94476%0.758SS**  trans-153.2158.4156-128.3170.1-167.100110.4
37G35.4Very low36.4Very low70 Ų70142.3 Ų142.372%0.72277%0.774SS**  trans-134.3172-172.700000113.4D39G37-D39 PolarHBondContact O-N 2.92Å
38E36.5Very low35.5Very low193 Ų193148.9 Ų148.990%0.90279%0.788SS**  trans-66.1124.6170.1-74.6175.298.500110.7
39D38.7Very low34.7Very low165 Ų165152.8 Ų152.888%0.88280%0.803SS**  -175.3137.8119-99.1-24.6000112.7G37G37-D39 PolarHBondContact O-N 2.92Å
40G33.9Very low34.5Very low78 Ų78150 Ų15080%0.80480%0.801SS**  trans81.387.1149.900000119.9F42G40-F42 PolarHBondContact O-N 3.45Å
41D32.8Very low33.8Very low142 Ų142147.2 Ų147.276%0.75980%0.803SS**  trans-69.8122.3158.6174.123.2000111.2
42F30.7Very low33.4Very low210 Ų210151.4 Ų151.492%0.92181%0.809SS**  trans-153.8144.4153-106.5-70.9000111.7G40G40-F42 PolarHBondContact O-N 3.45Å
43S34.9Very low32.9Very low100 Ų100152.5 Ų152.570%0.69982%0.819SS**  trans-93.8167.7-160.2-34.70000115.9
44Q30.1Very low33Very low195 Ų195154.8 Ų154.891%0.91182%0.824SS**  trans80.471.1152.1-156.916910.700118.4
45G28.3Very low32.8Very low72 Ų72153.6 Ų153.674%0.74282%0.821SS**  trans-76.1-158.6177.800000117.9
46L30Very low32.4Very low162 Ų162153 Ų15385%0.84882%0.822SS**  trans-168.5134160.6-105170.2000112.2
47K28.4Very low32.5Very low195 Ų195148.8 Ų148.885%0.84881%0.81SS**  trans27.8123.8158.7-67-175.1176.2-173.80121.9
48Y26.3Very low32.4Very low223 Ų223153.2 Ų153.288%0.87582%0.816SS**  trans-69.6152.3155.5-102.4-101.5000113.6
49E26.1Very low32.4Very low178 Ų178149.5 Ų149.583%0.83281%0.807SS**  trans-159.4140.6138-111.7-66.7104.200107.9
50P39Very low32.5Very low92 Ų92150.1 Ų150.160%0.59781%0.81SS**  trans-107.2138.1-16937.2-29.1000114.5
51S26.9Very low32.8Very low114 Ų114151.3 Ų151.380%0.79780%0.797SS**  trans-140.197.8164.962.50000111.1
52F29.3Very low33.4Very low196 Ų196150.4 Ų150.486%0.8680%0.8SS**  trans-106100167.3-86.6-79.1000109.4
53D27.4Very low34.3Very low165 Ų165147 Ų14788%0.88279%0.791SS**  trans-70144.8166-99.5-46.5000110.7
54N38Very low34.9Very low147 Ų147147.2 Ų147.279%0.78678%0.784SS**  trans-99.6102.7178.4-75.2-111.5000109.2
55D37.3Very low35.6Very low147 Ų147149.6 Ų149.679%0.78679%0.785SS**  trans-172.8121.7142.1-107.8-23.8000112.5
56L34.3Very low36.8Very low166 Ų166152 Ų15287%0.86979%0.785SS**  trans-153.287.5160-117.4138.4000110.3L58L56-L58 PolarHBondContact O-N 2.88Å
57V38.2Very low37.1Very low114 Ų114147.9 Ų147.969%0.69177%0.77SS**  trans-64.6121.1174.5175.80000109.8T59V57-T59 PolarHBondContact O-N 2.66Å
58L32.7Very low37.7Very low163 Ų163144.2 Ų144.285%0.85377%0.766SS**  trans-78.782.1175.7-72.9172.8000111.3L56L56-L58 PolarHBondContact O-N 2.88Å
59T37.8Very low38.3Very low115 Ų115145 Ų14571%0.70677%0.768SS**  trans-69126.5170.9-56.70000110.8V57 D61V57-T59 PolarHBondContact O-N 2.66Å; T59-D61 PolarHBondContact O-N 3.2Å; T59-D61 VanDerWaalsContact O-N 3.14Å
60L40.9Very low39.2Very low179 Ų179147 Ų14794%0.93777%0.768SS**  trans-82.582.1175.7-69.4169.5000110.8
61D39.5Very low39.3Very low102 Ų102153.4 Ų153.455%0.54578%0.781SS.*  trans-112.3118173.7-168.9-14.4000110.6T59 D63T59-D61 PolarHBondContact O-N 3.2Å; T59-D61 VanDerWaalsContact O-N 3.14Å; D61-D63 VanDerWaalsContact C-N 3.31Å; D61-D63 PolarHBondContact O-N 3.3Å; D61-D63 PolarHBondContact OD1-N 2.89Å
62P45.3Very low39.9Very low124 Ų124156 Ų15681%0.80579%0.785SS**THydrogen-bonded Turntrans-62.4-25.8-175-25.635.5000116.4
63D48.7Very low40.4Very low137 Ų137154.4 Ų154.473%0.73379%0.786SS**THydrogen-bonded Turntrans-99.412.4-169-81.8-51000114.5D61 R65D61-D63 VanDerWaalsContact C-N 3.31Å; D61-D63 PolarHBondContact O-N 3.3Å; D61-D63 PolarHBondContact OD1-N 2.89Å; D63-R65 PolarHBondContact O-N 3.38Å
64N47.9Very low40.9Very low105 Ų105153.9 Ų153.956%0.56178%0.783SS**  trans-67.6130179.8-167-1.4000112.6T66N64-T66 VanDerWaalsContact C-N 3.34Å; N64-T66 PolarHBondContact O-N 3.5Å
65R44.7Very low40.9Very low246 Ų246154.4 Ų154.493%0.92879%0.786SS**THydrogen-bonded Turntrans-79.5-3.2-164.9-71.1-173167.7-156.6-4.6116.1D63D63-R65 PolarHBondContact O-N 3.38Å
66T53.2Low40.9Very low121 Ų121155.8 Ų155.874%0.74279%0.792SS**THydrogen-bonded Turntrans-105.78.4-171.9-27.50000113.9N64N64-T66 VanDerWaalsContact C-N 3.34Å; N64-T66 PolarHBondContact O-N 3.5Å
67S37.1Very low41Very low77 Ų77156 Ų15654%0.53879%0.794SS.*  trans-73.6123.5-178.4-65.90000112.6W69S67-W69 PolarHBondContact O-N 3.2Å
68P41.1Very low40.7Very low118 Ų118157.3 Ų157.377%0.76680%0.802SS**THydrogen-bonded Turntrans-64.7-7-173.5-26.535.9000117.5
69W38.8Very low40.6Very low238 Ų238152.5 Ų152.590%0.90279%0.792SS**THydrogen-bonded Turntrans-102.18.7-160.5-62.9105.6000115.6S67 Y71S67-W69 PolarHBondContact O-N 3.2Å; W69-Y71 PolarHBondContact O-N 3.01Å
70R45.3Very low40.3Very low222 Ų222155 Ų15584%0.83880%0.801SS**  trans-92.927.6-170.2-143.7-164.7-173.9-1787.6116.4
71Y40.5Very low39.9Very low225 Ų225153 Ų15388%0.88280%0.797SS**SBendtrans-138.897.7172.3-84.1-82.8000110.8W69W69-Y71 PolarHBondContact O-N 3.01Å
72L40.8Very low39.4Very low168 Ų168153.8 Ų153.888%0.8881%0.81SS**SBendtrans-170.5-34.9152.3-110.4165.8000113D74L72-D74 PolarHBondContact O-N 2.83Å
73D38.6Very low38.6Very low164 Ų164154.3 Ų154.388%0.87781%0.81SS**SBendtrans-97.677.7-178.2-77-59.7000113.3
74D38.2Very low38Very low153 Ų153155.6 Ų155.682%0.81882%0.815SS**  trans-164.6123.3154.3-111.5-31.9000110.1L72L72-D74 PolarHBondContact O-N 2.83Å
75N37.9Very low37.1Very low158 Ų158157.9 Ų157.985%0.84582%0.821SS**  trans123.149.2174.7-71.5-70.7000117.8
76L37.1Very low36.5Very low176 Ų176154.3 Ų154.392%0.92182%0.82SS**  trans-131.723.6166.3-81.4-178.9000115.9
77L36.7Very low35.4Very low171 Ų171156 Ų15690%0.89582%0.819SS**SBendtrans-138.576.9170.2-80.9178.6000113.5
78T32.2Very low35Very low141 Ų141161.3 Ų161.387%0.86584%0.838SS**  trans-172.5131.3140.7-77.70000107.9
79G30.8Very low34.4Very low62 Ų62161.5 Ų161.564%0.63984%0.837SS**  trans-113.4151.2171.100000111.1
80N30.4Very low33.9Very low169 Ų169157 Ų15790%0.90483%0.83SS**  trans-164.2159.2155.6-96.6-32.1000110.3
81T33.6Very low33.1Very low137 Ų137152.2 Ų152.284%0.8483%0.825SS**  trans-110.9142.3-167.853.40000113.6
82S29.1Very low32.6Very low118 Ų118150.5 Ų150.583%0.82583%0.825SS**  trans-150.8128.9155.859.70000111.6
83V28.6Very low32.2Very low135 Ų135148.1 Ų148.182%0.81882%0.82SS**  trans-106.8132.6174172.40000108.9
84I35.4Very low31.8Very low163 Ų163148.5 Ų148.584%0.83682%0.821SS**  trans-130.7133.3160.1-64.2-176.7000107.8
85K29.9Very low32Very low154 Ų154145.7 Ų145.767%0.6781%0.811SS**  trans-83.5154.1174.1-67.9-176.5169.5-162.90110.8E87K85-E87 IonicContact NZ-OE2 3.95Å
86N30.8Very low31.9Very low170 Ų170145.5 Ų145.591%0.90982%0.815SS**  trans-145.4135.8135.5-95.3-24.9000107.9
87E29.9Very low31.8Very low156 Ų156144.9 Ų144.973%0.72981%0.808SS**  trans-116.4133.3175-69.2177111.600108.5K85K85-E87 IonicContact NZ-OE2 3.95Å
88M29.6Very low31.8Very low190 Ų190145.8 Ų145.894%0.93681%0.81SS**  trans-161.2139.3137.2-110.2168.8-168.700112.2
89T28.1Very low32.4Very low121 Ų121145.7 Ų145.774%0.74280%0.803SS**  trans-49.4156.8169.445.10000113.6
90L27.8Very low32.4Very low144 Ų144150.8 Ų150.875%0.75481%0.808SS**  cis-161.7179.640.1-129.8142.4000112.5
91T29.4Very low32.3Very low121 Ų121150.6 Ų150.674%0.74280%0.802SS**  trans71.8126.9159.138.50000122.3
92E29.3Very low32.1Very low189 Ų189149.6 Ų149.688%0.88380%0.795SS**  trans73.3118.2143.5-153.4150.2-133.400121
93P33.8Very low32Very low119 Ų119153.1 Ų153.177%0.77380%0.796SS**  trans-117.2132.2179.238.1-26.9000115.3
94L30.3Very low32.3Very low171 Ų171150.3 Ų150.390%0.89579%0.787SS**  trans-171.3160.5161.9-97.9174.8000108.7
95P42.5Very low32.3Very low94 Ų94150.6 Ų150.661%0.6179%0.785SS**  -121.3158.6-50.829.2-12.8000112.9
96V34.9Very low32.6Very low154 Ų154147.6 Ų147.693%0.93378%0.781SS**  trans-99.571.8164.5-175.90000109.2
97E35.2Very low32.9Very low164 Ų164145.2 Ų145.277%0.76678%0.775SS**  trans-137.596.6171.5-71.5-167.5154.800109.9
98M36.5Very low32.8Very low189 Ų189142.7 Ų142.793%0.93177%0.774SS**  trans-141.729.2174.4-105-72.8-73.400110.9
99L44.8Very low33Very low140 Ų140139.9 Ų139.973%0.73377%0.77SS**SBendtrans-152113.3176.7-108.1167.9000107.9
100F30.8Very low33Very low169 Ų169138.5 Ų138.574%0.74177%0.771SS**  trans64.9137-165.5-41.8-77.3000111.3
101Q27.7Very low33.1Very low165 Ų165137.3 Ų137.377%0.77178%0.775SS**  -151.314251.3-158.16836.300112.5
102V30.4Very low33.1Very low116 Ų116137.2 Ų137.270%0.70378%0.779SS**  trans33.1123.5151.4177.10000119.6A104V102-A104 HydrophobicContact CG1-CB 4.34Å
103K25.7Very low33.1Very low192 Ų192135.6 Ų135.684%0.83578%0.775SS**  trans-112.6114.9141-172.3151-173.9171.80110.3
104A35.6Very low32.8Very low76 Ų76138 Ų13863%0.62878%0.776SS**PPolyproline II helixtrans-79.6159.6165.400000110.3V102V102-A104 HydrophobicContact CG1-CB 4.34Å
105E34.9Very low32.8Very low169 Ų169134.3 Ų134.379%0.7977%0.765SS**PPolyproline II helixtrans-67.5130.1-177.5-177.9179.3179.800113
106P36.6Very low32.2Very low91 Ų91136.1 Ų136.159%0.59177%0.77SS**PPolyproline II helixtrans-90153.1158.635.6-30.2000111
107P37Very low31.8Very low120 Ų120133.6 Ų133.678%0.77976%0.757SS**PPolyproline II helixtrans-82.5156.5-154.832.5-38.4000116.1
108S28.2Very low31.5Very low103 Ų103130.6 Ų130.672%0.7275%0.754SS**PPolyproline II helixtrans-61136.6171.4-48.90000113.5
109P34.1Very low31.2Very low131 Ų131128.5 Ų128.585%0.85175%0.753SS**PPolyproline II helixtrans-73.9164.7160.833.3-34.2000111.2
110A27.8Very low30.6Very low92 Ų92127.7 Ų127.776%0.7676%0.759SS**  trans-111.2142.5-16800000115.3
111S30.4Very low30.5Very low119 Ų119124.3 Ų124.383%0.83276%0.756SS**  trans48.6113.6143.2-54.40000122.2
112S28.7Very low31.2Very low118 Ų118122.8 Ų122.883%0.82576%0.76SS**  trans-148.1130.2139.448.30000107.5
113L29.6Very low31.1Very low155 Ų155122.9 Ų122.981%0.81276%0.757SS**  cis88.6139.743.2-90.5169.3000115
114E27.7Very low32Very low169 Ų169118.8 Ų118.879%0.7975%0.75SS**  trans67.4133.7176.2-62.7161.1166.500113.7
115S30.7Very low31.7Very low95 Ų95122.8 Ų122.866%0.66476%0.756SS**  cis76.314639100.10000113.1
116D28Very low31.5Very low132 Ų132120.5 Ų120.571%0.70675%0.753SS**  cis-157.8166.322.9-124.6-53.1000115.8
117C26.8Very low31.2Very low100 Ų100121 Ų12168%0.67676%0.755SS**  trans48.5112147.3-77.50000126.3
118S29.3Very low30.7Very low101 Ų101122.4 Ų122.471%0.70675%0.754SS**  86.7153.9107.1-61.30000125.3
119T29.4Very low30.7Very low146 Ų146126.9 Ų126.990%0.89676%0.761SS**  trans79.9141.517372.40000117.1
120S32.2Very low30.4Very low122 Ų122124.8 Ų124.885%0.85375%0.754SS**  cis-141.3177.44.261.50000113.4
121S30Very low30.4Very low98 Ų98129.6 Ų129.669%0.68576%0.761SS**  trans-105.9166.7-171.6-156.70000112.3D123S121-D123 PolarHBondContact OG-N 3.5Å
122P42.4Very low30.5Very low133 Ų133131 Ų13186%0.86476%0.759SS**  -137.6144.677.635.7-20.1000116.3
123D28.9Very low32Very low118 Ų118130.4 Ų130.463%0.63175%0.752SS**  trans-110.3149.9167174.555.8000110.4S121S121-D123 PolarHBondContact OG-N 3.5Å
124P43.9Very low32.7Very low107 Ų107128.5 Ų128.570%0.69575%0.749SS**  -140.5148.9114.629-11.6000113.6
125Q28.2Very low33.1Very low160 Ų160126.6 Ų126.675%0.74875%0.749SS**  cis-166.1155.910.3-121.117333.800112.2
126V30.6Very low34.2Very low120 Ų120127.3 Ų127.373%0.72775%0.752SS**  trans72.7129.1146.6166.20000118
127T30.4Very low35.1Very low102 Ų102126.2 Ų126.263%0.62675%0.752SS**  cis-170.2132.3-3.1-101.40000112.4
128I27.8Very low35.2Very low150 Ų150131.4 Ų131.477%0.76976%0.759SS**  trans52.1129.6143.7-56.6177.7000118.3
129K28.4Very low35.2Very low197 Ų197131.9 Ų131.986%0.85775%0.751SS**  cis-155.4159.244-152.2168.3-178.3-176.80113.8
130A27Very low35.3Very low86 Ų86135.6 Ų135.671%0.71175%0.75SS**  trans-75.2172.1169.900000112.2
131E28.2Very low35.1Very low193 Ų193133.4 Ų133.490%0.90275%0.747SS**  -160.1173.857.5-152163.6110.800113.4
132N31.6Very low35.1Very low148 Ų148136.1 Ų136.179%0.79175%0.754SS**  trans-161.2167.5-167.2-154.612.2000108.5
133P61.5Low34.6Very low107 Ų107135.6 Ų135.670%0.69575%0.748SS**  cis-118.2-128.4-9.232.1-6.2000109.3
134P43.3Very low34.6Very low114 Ų114137.7 Ų137.774%0.7476%0.758SS**  cis-133.8-148.2-10.644.7-23.2000115.1
135T35.3Very low34.3Very low130 Ų130138.1 Ų138.180%0.79876%0.763SS**  trans-158.3-171-165.418.40000111.1
136P54.5Low35Very low109 Ų109136.1 Ų136.171%0.70877%0.765SS**  cis-117.1-54.1-20.817.4-3.5000122.7
137P47.3Very low35.5Very low109 Ų109136 Ų13671%0.70877%0.767SS**  -124.7128.7-11231.7-13.6000116.6
138Y27.8Very low35.9Very low210 Ų210139.8 Ų139.882%0.82478%0.782SS**  trans-149.4-169.7145.8-152.7-111.1000112.8
139M30.7Very low36Very low110 Ų110136.3 Ų136.354%0.54278%0.783SS.*  -161.5148.8-128-166.5-167.171.800113.8
140Y30.4Very low36Very low224 Ų224133.4 Ų133.488%0.87878%0.782SS**  trans63.1150177.2-96.9-111.1000116.7
141G28.8Very low36.1Very low76 Ų76136.5 Ų136.578%0.78478%0.784SS**  trans151.9104.1167.300000116
142D30.3Very low36Very low156 Ų156134.9 Ų134.983%0.83478%0.776SS**  trans-70.3143.1178.5-95.2-43.8000115.9
143V30.9Very low35.8Very low121 Ų121132.4 Ų132.473%0.73377%0.766SS**  trans71.2149.7138.8-177.80000120
144L29.5Very low34Very low162 Ų162132.9 Ų132.985%0.84877%0.767SS**  trans88122174.8-53.9-173.7000119.5
145S37.9Very low33.1Very low116 Ų116133.5 Ų133.581%0.81177%0.769SS**  trans-68.8148.6154.2-26.20000110.4
146P42.5Very low32.6Very low119 Ų119131.1 Ų131.177%0.77376%0.762SS**  -148.3-155.890.341.6-22.2000110.4
147P41.8Very low31.4Very low118 Ų118132 Ų13277%0.76677%0.766SS**  cis-135177.8-3.443-25.5000116.9
148L37.7Very low30.4Very low180 Ų180133.7 Ų133.794%0.94277%0.774SS**  trans-84.8147.9159-73.2165.9000110.3
149G30.6Very low30.6Very low78 Ų78128.3 Ų128.380%0.80477%0.773SS**  trans-162.778-179.200000115
150T29.2Very low30.7Very low136 Ų136129.9 Ų129.983%0.83479%0.789SS**  trans-80.2161.3160.746.70000110.5
151M27.8Very low31.7Very low151 Ų151124.5 Ų124.574%0.74478%0.781SS**  cis-138.6-145.17.7-140.8160.452.100109V153M151-V153 HydrophobicContact CE-CG2 3.88Å
152E27.3Very low33Very low158 Ų158126.2 Ų126.274%0.73878%0.778SS**  cis-132.3177.612.2-96.8-152.3105.400109.6
153V25.5Very low33.7Very low96 Ų96123.9 Ų123.958%0.58277%0.772SS**  cis73.5145.436.1-170.20000112.9M151M151-V153 HydrophobicContact CE-CG2 3.88Å
154T24.7Very low33.8Very low117 Ų117127 Ų12772%0.71878%0.778SS**  cis-109.7-172.2-4.51.20000110.1
155V25.4Very low34Very low128 Ų128123.9 Ų123.978%0.77677%0.77SS**  cis-146.81726.7-125.30000107.1
156A24.4Very low33.6Very low80 Ų80126.8 Ų126.866%0.66177%0.771SS**  cis-150.7161.2-0.700000107.9
157T29Very low33.2Very low128 Ų128128.8 Ų128.879%0.78577%0.773SS**  cis89.6100.215.7-47.70000116
158T25.3Very low33.8Very low144 Ų144128.2 Ų128.288%0.88377%0.77SS**  trans-142.7161.3168.256.20000110.4
159A33.8Very low33.3Very low97 Ų97126.8 Ų126.880%0.80276%0.762SS**  trans-156.7152-177.700000114.2
160V31.5Very low33.5Very low143 Ų143130.9 Ų130.987%0.86776%0.762SS**  trans-143.9130.1175.11610000108
161P52.3Low33.6Very low111 Ų111129.3 Ų129.372%0.72175%0.752SS**  -132-128.6-68.227.2-0.9000113.2
162P54.6Low34Very low111 Ų111130.5 Ų130.572%0.72176%0.756SS**  -125.5-162.6-107.449-31.7000112.3
163P47Very low34.4Very low108 Ų108127.2 Ų127.270%0.70175%0.747SS**  cis-138.515947.437.8-16.7000118.5
164Q32.4Very low34.7Very low186 Ų186130.4 Ų130.487%0.86976%0.755SS**  trans26.6143.4140.4-64.8169.3-18.500122
165S33.3Very low35.1Very low97 Ų97130.5 Ų130.568%0.67875%0.751SS**  cis-175.9152.2-4.848.40000114.8
166Q29.8Very low35.5Very low176 Ų176131.9 Ų131.982%0.82275%0.749SS**  trans79.890.4149.1-72.6172.41.800125.1
167I33.3Very low35.5Very low161 Ų161133.7 Ų133.783%0.82675%0.751SS**  43.1169.2123.611.3179.3000124.4
168P54.7Low36.5Very low107 Ų107132.6 Ų132.670%0.69575%0.747SS**  -134.3-158.7-119.147.9-27.8000116.2
169I27.2Very low36.6Very low150 Ų150133 Ų13377%0.76974%0.742SS**  trans171129.4135.5-91.6160.6000114.9
170M35.2Very low36.4Very low164 Ų164134 Ų13481%0.80874%0.739SS**  trans47.3162.1143.7-64-169.3134.500123.3
171T32.1Very low36.2Very low102 Ų102132.5 Ų132.563%0.62674%0.735SS**  cis-171.9160.6-7.223.80000113.7
172Q36.2Very low35.2Very low177 Ų177132.9 Ų132.983%0.82774%0.735SS**  trans65161.4142.2-76.7-150.122.700122.3
173T33.8Very low33.9Very low88 Ų88136.5 Ų136.554%0.5474%0.742SS.*  cis-162.9147.3-42.1-350000111.8
174Q33.7Very low32.9Very low164 Ų164135.3 Ų135.377%0.76674%0.742SS**  trans59.2169.4144.3-87.8-179.1-12.100121.3
175L32.7Very low32.6Very low118 Ų118132.5 Ų132.562%0.61874%0.737SS**  cis-158.7153.82.7-120.1165.1000113.2
176Q32.7Very low32.7Very low158 Ų158135.1 Ų135.174%0.73874%0.741SS**  trans51.7114.7147-87.6172-13.100126.9
177T25.6Very low32.6Very low117 Ų117133.8 Ų133.872%0.71874%0.74SS**  37.8163.1112.1590000124.7
178P49Very low32.4Very low106 Ų106129.3 Ų129.369%0.68873%0.734SS**  cis-145.7-169.8-19.635.4-12.5000117.5
179L27.4Very low31.3Very low151 Ų151132.1 Ų132.179%0.79174%0.741SS**  trans103.8116.5134.1-94.7178.2000124.3
180T29.3Very low31.4Very low119 Ų119132.9 Ų132.973%0.7374%0.742SS**  trans85.6147.2141.94.90000125.2
181S28.9Very low31.2Very low111 Ų111132 Ų13278%0.77675%0.746SS**  trans73.1164152.972.40000121.5
182V29.8Very low31Very low120 Ų120135.1 Ų135.173%0.72775%0.753SS**  -173.4153.3-61.61370000110.1
183Q27.1Very low30.5Very low187 Ų187132.5 Ų132.587%0.87475%0.749SS**  trans64.4170.3171.2-80.5160.74.200116.3
184A26.9Very low30.1Very low83 Ų83132.6 Ų132.669%0.68676%0.759SS**  cis-162.5134.8-21.600000106.8
185V26.3Very low29.9Very low126 Ų126131.2 Ų131.276%0.76476%0.761SS**  79.6123.170.9170.80000115.8
186I34.9Very low29.8Very low152 Ų152132.8 Ų132.878%0.77977%0.77SS**  trans75.5143.1161.6-82.6167.5000117
187N28.7Very low29.7Very low148 Ų148131.3 Ų131.379%0.79177%0.774SS**  cis-160.11567.6-133.7-2.7000115.5
188G27.7Very low29.9Very low68 Ų68131.3 Ų131.370%0.70178%0.778SS**  trans67.3165.4146.200000122
189I32.9Very low28.9Very low166 Ų166132.7 Ų132.785%0.85179%0.785SS**  cis-148.3131.5-12.3-63.5-172.7000111.6
190Q27.5Very low29.1Very low166 Ų166133.6 Ų133.678%0.77679%0.79SS**  trans19.8133.1151.1-162.8177.196.600124.3
191T31.4Very low29Very low146 Ų146138.3 Ų138.390%0.89680%0.801SS**  trans-151.1178.9139.2-9.20000110.6
192Q28.4Very low29Very low166 Ų166137 Ų13778%0.77680%0.796SS**  trans-111.4144.1-146.1-112-173.268.600119.1
193T26.2Very low29.3Very low122 Ų122137 Ų13775%0.74880%0.801SS**  trans68.486.9140.6-480000120.4
194A25.3Very low29.8Very low90 Ų90134.5 Ų134.574%0.74480%0.799SS**  trans-160.6127.1145.700000112.7
195V28.2Very low30.3Very low135 Ų135137.8 Ų137.882%0.81880%0.803SS**SBendtrans50.1149.3160.3-120.30000121.6
196L32.3Very low30.6Very low152 Ų152139 Ų13980%0.79681%0.805SS**  trans61.4106.3159.1-63.7165.8000119
197P30.7Very low30.4Very low127 Ų127136.4 Ų136.483%0.82580%0.801SS**  trans-75.1123.6148.931.6-30000109.6
198S28.6Very low30.5Very low116 Ų116136.3 Ų136.381%0.81181%0.805SS**  trans-82.3142.5170.950.80000111.2
199T28.6Very low30.9Very low135 Ų135141.9 Ų141.983%0.82881%0.81SS**  trans-131.1144.8159.253.20000109.6
200L31.9Very low31.2Very low171 Ų171139.4 Ų139.490%0.89581%0.805SS**  trans-68.1131.3-170.8-64.8164.5000111.2A202L200-A202 PolarHBondContact O-N 3.4Å
201K26.9Very low31.5Very low218 Ų218137.5 Ų137.595%0.94881%0.807SS**  trans-75.776.5166.7-75.9-169176.9-177.20110.7
202A29.7Very low31.6Very low83 Ų83138.7 Ų138.769%0.68681%0.806SS**  trans-87.7115.7153.800000107.9L200 T204L200-A202 PolarHBondContact O-N 3.4Å; A202-T204 PolarHBondContact O-N 3Å
203S35.1Very low32.2Very low119 Ų119139.4 Ų139.483%0.83281%0.809SS**  trans-82.4103.7-174.7510000112
204T38.4Very low33.1Very low135 Ų135139.4 Ų139.483%0.82881%0.811SS**  trans-111.372177.7-52.10000111.5A202A202-T204 PolarHBondContact O-N 3Å
205I36.9Very low33.4Very low152 Ų152146.1 Ų146.178%0.77982%0.818SS**  trans-149.2130.3173-75.9-173.3000104.3
206L31.3Very low33.7Very low151 Ų151145.9 Ų145.979%0.79182%0.819SS**  cis-148.5172.54-157.668.5000109.8
207S32.3Very low33.6Very low99 Ų99145.3 Ų145.369%0.69282%0.821SS**  trans4.8129.3150.6-175.50000119.2
208T31.3Very low33.4Very low145 Ų145145.2 Ų145.289%0.8982%0.822SS**  trans-146.9128.5136.16.50000112.1
209K36.1Very low33.4Very low185 Ų185146.5 Ų146.580%0.80483%0.825SS**PPolyproline II helixtrans-83.6127.9172.5178.3-179.5-178.3176.80108.2P211K209-P211 WeakPolarHBondContact O-CD 3.48Å
210P37.5Very low33.3Very low115 Ų115144.7 Ų144.775%0.74782%0.824SS**PPolyproline II helixtrans-71.7127.8-174.227.3-33.9000112
211P34.2Very low33.3Very low125 Ų125141.4 Ų141.481%0.81282%0.821SS**PPolyproline II helixtrans-88.7129.2173.533.3-31.1000111.5K209K209-P211 WeakPolarHBondContact O-CD 3.48Å
212I34.7Very low33.3Very low171 Ų171137.6 Ų137.688%0.87782%0.816SS**PPolyproline II helixtrans-90.6138.1172.3-65.7175.2000109.5
213Q39.8Very low33.3Very low181 Ų181141.9 Ų141.985%0.84683%0.827SS**PPolyproline II helixtrans-84.4165.2-172.6-89.3-166.710.300114.6
214P44.8Very low33.4Very low122 Ų122141.7 Ų141.779%0.79282%0.823SS**  trans-90.4177.1-160.836.4-38.1000116
215R32.9Very low32.9Very low232 Ų232142.2 Ų142.288%0.87583%0.825SS**  trans-68.2155.3175.5-72.5179.8176.6176.1-0.9112.8
216P33.2Very low32.9Very low129 Ų129141 Ų14184%0.83883%0.827SS**  trans-76.6153.8-171.431.3-37.4000114.4
217V29.8Very low32.8Very low140 Ų140142.6 Ų142.685%0.84883%0.831SS**  trans-124.3146.9167.7176.20000108.4
218C27.9Very low32.7Very low125 Ų125144.9 Ų144.985%0.84584%0.835SS**  trans-69.6143.5-169.9-55.80000113.8
219V27.9Very low33.2Very low144 Ų144142.6 Ų142.687%0.87382%0.823SS**  trans-86.7130.7166-179.20000109.3
220A27.6Very low32.9Very low97 Ų97138.3 Ų138.380%0.80282%0.822SS**  trans-134.8123.5164.300000108.2
221A30.2Very low33.1Very low102 Ų102138.9 Ų138.984%0.84383%0.826SS**  trans-87.1149.1-175.300000112.2
222T27.7Very low32.8Very low138 Ų138137.9 Ų137.985%0.84783%0.828SS**  trans-113.3133.2175.450.10000111.2
223L30.3Very low32.6Very low172 Ų172139.9 Ų139.990%0.90183%0.83SS**  trans-122.8148.1163-84.9167.5000109.7
224P37.2Very low32.1Very low115 Ų115136.7 Ų136.775%0.74782%0.824SS**  trans-109.9148.3-163.839.4-32.7000115.7
225V27.8Very low31.4Very low146 Ų146139.3 Ų139.389%0.88583%0.83SS**  trans-152.7169.1161.3-106.90000109.1
226P36.6Very low31.4Very low127 Ų127134.8 Ų134.883%0.82582%0.822SS**  trans-106.7-164.8-132.942.3-38.7000117.1
227Q29.8Very low31.2Very low185 Ų185137.2 Ų137.286%0.86483%0.827SS**  trans-93.4171.1-156.6-61.7177-31.100117.2
228N30Very low31.1Very low147 Ų147139.4 Ų139.479%0.78683%0.827SS**  trans100.3149.8144.5-139.239.2000117.4
229P41.4Very low31.2Very low96 Ų96136.6 Ų136.662%0.62382%0.82SS**  cis-128.7144.9-3227.7-8.9000115.8
230A30.1Very low31.2Very low96 Ų96137.8 Ų137.879%0.79382%0.82SS**  trans48.4177.2137.300000122.6
231P41.5Very low32Very low127 Ų127139 Ų13983%0.82582%0.82SS**  cis-124.7159.1-35.833.8-18.2000114.4
232A26.9Very low32Very low103 Ų103139 Ų13985%0.85181%0.814SS**  trans-145.1146158.900000111.1
233K31.1Very low32Very low213 Ų213140.5 Ų140.593%0.92681%0.813SS**  trans-94.1139.5-156.8-64.2167.9180172.60114.6
234T28.4Very low31.9Very low115 Ų115137.6 Ų137.671%0.70680%0.799SS**  trans-74146.3167-44.10000111.9I236T234-I236 HydrophobicContact CG2-CD1 4.41Å; T234-I236 HydrophobicContact CG2-CG1 4.09Å
235L31.6Very low31.7Very low177 Ų177139 Ų13993%0.92780%0.796SS**  trans-134.2138.1152.3-80.2177.8000110.1
236I32.6Very low31.7Very low137 Ų137139.1 Ų139.170%0.70379%0.791SS**  trans-123.8141.1176.1-65.9171.7000107.1T234T234-I236 HydrophobicContact CG2-CD1 4.41Å; T234-I236 HydrophobicContact CG2-CG1 4.09Å
237L28.9Very low31.3Very low180 Ų180144.3 Ų144.394%0.94279%0.794SS**  trans-137.7146159.1-90.8172.9000110.4
238Q27.8Very low31.9Very low185 Ų185140.5 Ų140.586%0.86479%0.785SS**  trans-134.4140.5-176.1-170.8173.72.300107.5
239G29.9Very low31.7Very low66 Ų66139.7 Ų139.768%0.6879%0.786SS**  trans-100.5175-16500000116.3
240L28.4Very low31Very low170 Ų170141 Ų14189%0.8979%0.792SS**  trans-160.3-175.3163.6-134.373.8000110.2
241P43.5Very low30.9Very low122 Ų122143.6 Ų143.679%0.79279%0.791SS**  -122.6-141.5-108.445-28.9000116.8
242S29.9Very low30.4Very low103 Ų103142.5 Ų142.572%0.7279%0.786SS**  trans-122154-144.555.20000118.8
243M29.1Very low31.2Very low169 Ų169142.7 Ų142.783%0.83378%0.779SS**  trans-167.7165.2157.9-81.9-73.173.400109
244D28Very low31.1Very low110 Ų110138.6 Ų138.659%0.58878%0.777SS**  cis-167.9166.1-29.1-171.829.7000112.1
245Q32.7Very low31.2Very low146 Ų146139.1 Ų139.168%0.68278%0.78SS**  trans70.1123.6149.2-103.1-179.589.300127.5
246N27.2Very low31.1Very low148 Ų148136.1 Ų136.179%0.79177%0.772SS**  trans84163.5136-83-27.9000124.9
247R29.6Very low30.9Very low236 Ų236138 Ų13889%0.89178%0.783SS**  trans-123.8-178.9-151.8-123.4-168.3167.6-166.7-1.5111.5
248P42.2Very low30.9Very low104 Ų104135.5 Ų135.568%0.67578%0.781SS**  cis-138.1-1553.441.9-20.1000115.8
249V25.1Very low31.3Very low131 Ų131131.8 Ų131.879%0.79478%0.775SS**  trans83.8141.3162.51480000118.1
250V27.1Very low31.3Very low124 Ų124133.1 Ų133.175%0.75278%0.78SS**  cis-158.2-131.6-23.977.90000114.7
251L28.6Very low31.6Very low149 Ų149130.7 Ų130.778%0.7877%0.774SS**  trans-66.4162.4-175.8-63.9175.3000116.3
252S31Very low30.9Very low104 Ų104129.4 Ų129.473%0.72777%0.774SS**  cis-162.4-146.9-16.461.70000111.8
253P42.4Very low30.9Very low107 Ų107132.3 Ų132.370%0.69578%0.78SS**  trans-94.1167-140.442.7-39.1000117.8
254S29.1Very low31Very low127 Ų127130.6 Ų130.689%0.88878%0.778SS**  trans-158.6165.2150.6-85.40000112.3
255V30.5Very low31.1Very low126 Ų126134.8 Ų134.876%0.76479%0.791SS**  trans-135.3127.8-159.7172.60000112.8
256C29.2Very low31.1Very low114 Ų114136.7 Ų136.777%0.7780%0.802SS**  trans67165.6159.4-69.50000121.2
257L29.2Very low31.4Very low176 Ų176137.6 Ų137.692%0.92180%0.802SS**  trans74.799.3165.6-52-174.8000119.1
258S29Very low31.8Very low128 Ų128132.2 Ų132.290%0.89580%0.798SS**  trans-154134.9135.1-172.90000109.4
259S35Very low31.3Very low108 Ų108132.8 Ų132.876%0.75580%0.799SS**  trans-108.2152175.756.50000111
260A31.6Very low31.8Very low93 Ų93131.6 Ų131.677%0.76980%0.796SS**  trans-73143.4169.100000110.4
261P34.8Very low32.7Very low120 Ų120131.2 Ų131.278%0.77980%0.797SS**  trans-80.1132-17530.9-34.5000112.6
262A28.1Very low32.8Very low95 Ų95129 Ų12979%0.78579%0.793SS**  trans-99.911416200000108.9V264A262-V264 PolarHBondContact O-N 3.47Å
263I29.6Very low32.9Very low164 Ų164131.3 Ų131.384%0.84180%0.796SS**  trans-86.1102.6178.4-60.7175.7000108.7
264V30.2Very low33Very low132 Ų132131.9 Ų131.980%0.880%0.8SS**  trans-114.3133.9162.6179.10000108.4A262A262-V264 PolarHBondContact O-N 3.47Å
265K30Very low33.7Very low198 Ų198131.1 Ų131.186%0.86179%0.791SS**  trans-75125.3-170.7-178.4-178.2178-173.90110.9
266M33.1Very low33.7Very low186 Ų186133.1 Ų133.192%0.91679%0.792SS**  trans-95.2161.7168.8-78.6-168.9175.600112.3
267E33.9Very low33.6Very low168 Ų168132.9 Ų132.979%0.78579%0.79SS**  trans-110.8144.6179.5-179.7179.1122.400110.1
268P38.7Very low33.7Very low123 Ų123129.6 Ų129.680%0.79978%0.782SS**  trans-101.4140.2169.735.9-28.9000112
269V31.2Very low34Very low116 Ų116129.1 Ų129.170%0.70378%0.779SS**  trans-118.6126.6-167.1115.80000114.5
270S36Very low34.9Very low105 Ų105130.2 Ų130.273%0.73478%0.783SS**  trans60.5166.4151.1-41.50000118.6
271P45.8Very low34.9Very low117 Ų117130.9 Ų130.976%0.7679%0.789SS**  -133.5149.659.729.1-7.9000117.9
272S30.1Very low35Very low101 Ų101129.6 Ų129.671%0.70679%0.789SS**  trans74.5120.7139.9-62.70000124.9
273I34.6Very low35.4Very low154 Ų154130.3 Ų130.379%0.7979%0.788SS**  trans74.2117.3143-54.7161000120
274P42.4Very low35.9Very low119 Ų119127.7 Ų127.777%0.77378%0.784SS**  trans-100.7158.3154.238.7-31.5000112.1
275P44.7Very low36.5Very low110 Ų110128.5 Ų128.571%0.71479%0.789SS**  -149.5162.99939.4-23.5000117.3
276H30.3Very low36.8Very low169 Ų169123.9 Ų123.978%0.78278%0.782SS**  trans65.8114.2157.8-84.3-72.1000123.2
277C28Very low37.4Very low108 Ų108124.4 Ų124.473%0.7378%0.779SS**  67.4144.1128.6-69.70000124.4
278S31.7Very low37.8Very low107 Ų107121.6 Ų121.675%0.74878%0.775SS**  trans85.397.5148.5-59.10000121.3
279S34.2Very low37.8Very low119 Ų119124 Ų12483%0.83278%0.78SS**  trans69.6153.5133-58.20000120.7
280P53.7Low38.5Very low130 Ų130124.6 Ų124.684%0.84478%0.783SS**  trans-94.6150.2-168.736.7-35.7000115
281A32.1Very low38.9Very low107 Ų107125 Ų12588%0.88478%0.784SS**  trans-143.1165.5165.800000110.5
282A37Very low38.6Very low94 Ų94123.9 Ų123.978%0.77778%0.784SS**  trans-115.5-163.2-163.100000114.7
283S36.5Very low39.4Very low109 Ų109125.8 Ų125.876%0.76279%0.792SS**  trans78.7130.5-171.777.10000114.9
284S40Very low40Very low109 Ų109124.6 Ų124.676%0.76279%0.792SS**  cis104.694.112.482.30000116
285T41.6Very low40.5Very low149 Ų149124.5 Ų124.591%0.91479%0.791SS**  trans-137.3167.6159.152.80000109.6
286S37.2Very low40.8Very low101 Ų101125.6 Ų125.671%0.70679%0.79SS**  trans-139.3134.9-142.960.40000118.1
287K45.4Very low41.9Very low198 Ų198122.7 Ų122.786%0.86179%0.787SS**  trans65.5171.1143.5-70.2179.5-178.8-179.70117.5
288P42.3Very low43.1Very low108 Ų108123.2 Ų123.270%0.70179%0.791SS**  cis-132.8160.1-38.734.3-19000114
289I40Very low44.3Very low175 Ų175123.1 Ų123.190%0.89778%0.783SS**  trans-135.9150.5149.4-86.3107.9000109.5
290V46.1Very low45.5Very low127 Ų127122 Ų12277%0.7777%0.767SS**PPolyproline II helixtrans-70132.8-162.9179.40000114.2
291P44.4Very low45.8Very low114 Ų114119 Ų11974%0.7475%0.749SS**PPolyproline II helixtrans-78.6126.3157.8-2.120.2000110.1T293P291-T293 PolarHBondContact O-N 3.05Å
292A38.7Very low47.6Very low94 Ų94118.7 Ų118.778%0.77773%0.733SS**PPolyproline II helixtrans-70.1127.5177.300000111.4T294A292-T294 PolarHBondContact O-N 3.23Å
293T47.2Very low49.4Very low141 Ų141118 Ų11887%0.86572%0.716SS**  trans-75.5112.4177.647.10000111.7P291P291-T293 PolarHBondContact O-N 3.05Å
294T47.1Very low51.4Low129 Ų129117.4 Ų117.479%0.79170%0.703SS**PPolyproline II helixtrans-102.7120.3162.8-51.80000108.6A292A292-T294 PolarHBondContact O-N 3.23Å
295P51.7Low53.5Low117 Ų117116.6 Ų116.676%0.7669%0.691SS**PPolyproline II helixtrans-72.2135.7-178.428.9-34.1000111.5
296L51.3Low55.7Low132 Ų132113.4 Ų113.469%0.69167%0.666SS**PPolyproline II helixtrans-99.7123.5176.5177.270.3000111.1N300L296-N300 WeakPolarHBondContact CD1-ND2 3.48Å
297P53.4Low58.3Low109 Ų109114 Ų11471%0.70866%0.656SS**PPolyproline II helixtrans-89.6137148.3-7.726.7000109.8N299P297-N299 PolarHBondContact O-N 3.28Å
298S53.7Low60.5Low118 Ų118108.7 Ų108.783%0.82564%0.64SS**SBendtrans-75114-173.7-174.20000113.5
299N56.5Low63Low106 Ų106108 Ų10857%0.56763%0.63SS**  trans-165.110.9143.1-153.74.8000115.1P297 S301 N302P297-N299 PolarHBondContact O-N 3.28Å; N299-S301 PolarHBondContact O-N 2.97Å; N299-N302 PolarHBondContact OD1-ND2 3.25Å
300N59.1Low65.6Low94 Ų94105.5 Ų105.550%0.50361%0.612SS.*Hα-helixtrans-77-12.8-162.8-69.6-36.5000116L296 I304L296-N300 WeakPolarHBondContact CD1-ND2 3.48Å; N300-I304 WeakPolarHBondContact O-CG1 3.33Å; N300-I304 PolarHBondContact O-N 3.28Å
301S61.1Low67.9Low67 Ų67106.7 Ų106.747%0.46960%0.603SS.*Hα-helixtrans-58.9-55.317746.20000111.2N299 D303 I304 D305N299-S301 PolarHBondContact O-N 2.97Å; S301-D303 PolarHBondContact O-N 2.88Å; S301-I304 CarbonylContact O-C 3.56Å; S301-I304 WeakPolarHBondContact O-CA 3.49Å; S301-I304 WeakPolarHBondContact O-CB 3.28Å; S301-I304 PolarHBondContact O-N 3.4Å; S301-D305 VanDerWaalsContact C-OD2 3.27Å; S301-D305 VanDerWaalsContact O-CG 3.25Å; S301-D305 PolarHBondContact O-N 3.14Å; S301-D305 VanDerWaalsContact O-OD2 3.04Å
302N70.1Confident70.4Confident101 Ų101104.8 Ų104.854%0.5458%0.584SS.*Hα-helixtrans-51.8-36.2-177-66.4-65.6000113.8N299 M306N299-N302 PolarHBondContact OD1-ND2 3.25Å; N302-M306 WeakPolarHBondContact O-CB 3.47Å; N302-M306 PolarHBondContact O-N 3.25Å
303D73.9Confident73.1Confident79 Ų79105.6 Ų105.642%0.42257%0.572SS.*Hα-helixtrans-82.3-29.7178.2-176.338.4000112.9S301 K307S301-D303 PolarHBondContact O-N 2.88Å; D303-K307 VanDerWaalsContact CG-CE 3.5Å; D303-K307 VanDerWaalsContact CG-NZ 3.26Å; D303-K307 WeakPolarHBondContact O-CB 3.48Å; D303-K307 VanDerWaalsContact O-CD 3.26Å; D303-K307 WeakPolarHBondContact O-CD 3.25Å; D303-K307 WeakPolarHBondContact O-CG 3.44Å; D303-K307 PolarHBondContact O-N 3.16Å; D303-K307 WeakPolarHBondContact OD1-CE 3.28Å; D303-K307 IonicContact OD1-NZ 2.69Å; D303-K307 PolarHBondContact OD1-NZ 2.87Å; D303-K307 VanDerWaalsContact OD2-CE 3.3Å; D303-K307 WeakPolarHBondContact OD2-CE 3.35Å; D303-K307 IonicContact OD2-NZ 3.18Å; D303-K307 PolarHBondContact OD2-NZ 3.49Å
304I78.3Confident75.4Confident97 Ų97107.2 Ų107.250%0.49756%0.562SS.*Hα-helixtrans-67.3-49.4168.9-67.3166.3000109.8N300 S301 M306 K307 V308N300-I304 WeakPolarHBondContact O-CG1 3.33Å; N300-I304 PolarHBondContact O-N 3.28Å; S301-I304 CarbonylContact O-C 3.56Å; S301-I304 WeakPolarHBondContact O-CA 3.49Å; S301-I304 WeakPolarHBondContact O-CB 3.28Å; S301-I304 PolarHBondContact O-N 3.4Å; I304-M306 VanDerWaalsContact C-N 3.32Å; I304-M306 PolarHBondContact O-N 2.84Å; I304-K307 CarbonylContact O-C 3.57Å; I304-K307 WeakPolarHBondContact O-CA 3.36Å; I304-K307 WeakPolarHBondContact O-CB 3.39Å; I304-K307 PolarHBondContact O-N 3.24Å; I304-V308 HydrophobicContact CG2-CG2 4.42Å; I304-V308 WeakPolarHBondContact O-CG2 3.3Å; I304-V308 PolarHBondContact O-N 2.92Å
305D85.5Confident77.8Confident93 Ų93106 Ų10650%0.49755%0.549SS..Hα-helixtrans-61.2-42.4179.2-59.8-37.3000110.7S301 K307 V308 L309S301-D305 VanDerWaalsContact C-OD2 3.27Å; S301-D305 VanDerWaalsContact O-CG 3.25Å; S301-D305 PolarHBondContact O-N 3.14Å; S301-D305 VanDerWaalsContact O-OD2 3.04Å; D305-K307 VanDerWaalsContact C-N 3.31Å; D305-K307 PolarHBondContact O-N 2.82Å; D305-V308 PolarHBondContact O-N 3.47Å; D305-L309 VanDerWaalsContact O-CB 3.3Å; D305-L309 WeakPolarHBondContact O-CB 3.43Å; D305-L309 PolarHBondContact O-N 2.92Å
306M87.5Confident79.9Confident82 Ų82103.3 Ų103.340%0.40453%0.527SS..Hα-helixtrans-62.3-33.3172.6-174.458.655.700112.9N302 I304 K310N302-M306 WeakPolarHBondContact O-CB 3.47Å; N302-M306 PolarHBondContact O-N 3.25Å; I304-M306 VanDerWaalsContact C-N 3.32Å; I304-M306 PolarHBondContact O-N 2.84Å; M306-K310 HydrophobicContact CG-CD 4.16Å; M306-K310 VanDerWaalsContact O-CB 3.25Å; M306-K310 WeakPolarHBondContact O-CB 3.39Å; M306-K310 WeakPolarHBondContact O-CD 3.37Å; M306-K310 WeakPolarHBondContact O-CG 3.27Å; M306-K310 PolarHBondContact O-N 3.32Å; M306-K310 HydrophobicContact SD-CD 4.28Å; M306-K310 VanDerWaalsContact SD-CE 3.51Å; M306-K310 HydrophobicContact SD-CG 4.5Å
307K91Very high82.1Confident114 Ų114103.7 Ų103.750%0.49652%0.524SS..Hα-helixtrans-74.8-36.8173.9-74.1162-168.4162.30112.4D303 I304 D305 R311D303-K307 VanDerWaalsContact CG-CE 3.5Å; D303-K307 VanDerWaalsContact CG-NZ 3.26Å; D303-K307 WeakPolarHBondContact O-CB 3.48Å; D303-K307 VanDerWaalsContact O-CD 3.26Å; D303-K307 WeakPolarHBondContact O-CD 3.25Å; D303-K307 WeakPolarHBondContact O-CG 3.44Å; D303-K307 PolarHBondContact O-N 3.16Å; D303-K307 WeakPolarHBondContact OD1-CE 3.28Å; D303-K307 IonicContact OD1-NZ 2.69Å; D303-K307 PolarHBondContact OD1-NZ 2.87Å; D303-K307 VanDerWaalsContact OD2-CE 3.3Å; D303-K307 WeakPolarHBondContact OD2-CE 3.35Å; D303-K307 IonicContact OD2-NZ 3.18Å; D303-K307 PolarHBondContact OD2-NZ 3.49Å; I304-K307 CarbonylContact O-C 3.57Å; I304-K307 WeakPolarHBondContact O-CA 3.36Å; I304-K307 WeakPolarHBondContact O-CB 3.39Å; I304-K307 PolarHBondContact O-N 3.24Å; D305-K307 VanDerWaalsContact C-N 3.31Å; D305-K307 PolarHBondContact O-N 2.82Å; K307-R311 WeakPolarHBondContact O-CB 3.37Å; K307-R311 PolarHBondContact O-N 2.78Å
308V92.1Very high84.2Confident86 Ų86103.8 Ų103.852%0.52152%0.518SS..Hα-helixtrans-66-48.2174.1172.90000110.1I304 D305 K310 R311 Q312I304-V308 HydrophobicContact CG2-CG2 4.42Å; I304-V308 WeakPolarHBondContact O-CG2 3.3Å; I304-V308 PolarHBondContact O-N 2.92Å; D305-V308 PolarHBondContact O-N 3.47Å; V308-K310 PolarHBondContact O-N 3.15Å; V308-R311 CarbonylContact O-C 3.56Å; V308-R311 WeakPolarHBondContact O-CA 3.06Å; V308-R311 VanDerWaalsContact O-CB 3.29Å; V308-R311 WeakPolarHBondContact O-CB 3.44Å; V308-R311 PolarHBondContact O-N 2.86Å; V308-Q312 PolarHBondContact O-N 3.35Å
309L94.3Very high86.3Confident93 Ų93104.6 Ų104.649%0.48750%0.503SS..Hα-helixtrans-59.7-44.7175.2-17463.8000111.5D305 R311 Q312 Q313D305-L309 VanDerWaalsContact O-CB 3.3Å; D305-L309 WeakPolarHBondContact O-CB 3.43Å; D305-L309 PolarHBondContact O-N 2.92Å; L309-R311 PolarHBondContact O-N 3.03Å; L309-Q312 PolarHBondContact O-N 2.91Å; L309-Q313 WeakPolarHBondContact O-CB 3.44Å; L309-Q313 PolarHBondContact O-N 2.81Å
310K95.2Very high88.2Confident122 Ų122104.1 Ų104.153%0.5350%0.497SS..Hα-helixtrans-66.2-16.4172.2-74168.8-178166.30113.8M306 V308 R314M306-K310 HydrophobicContact CG-CD 4.16Å; M306-K310 VanDerWaalsContact O-CB 3.25Å; M306-K310 WeakPolarHBondContact O-CB 3.39Å; M306-K310 WeakPolarHBondContact O-CD 3.37Å; M306-K310 WeakPolarHBondContact O-CG 3.27Å; M306-K310 PolarHBondContact O-N 3.32Å; M306-K310 HydrophobicContact SD-CD 4.28Å; M306-K310 VanDerWaalsContact SD-CE 3.51Å; M306-K310 HydrophobicContact SD-CG 4.5Å; V308-K310 PolarHBondContact O-N 3.15Å; K310-R314 WeakPolarHBondContact O-CG 3.44Å; K310-R314 PolarHBondContact O-NE 2.96Å
311R94.6Very high90Very high153 Ų153102.4 Ų102.458%0.57749%0.493SS*.Hα-helixtrans-84.4-46169.8-175.6179.6177.9-85.20.1110.5K307 V308 L309 R314 M315K307-R311 WeakPolarHBondContact O-CB 3.37Å; K307-R311 PolarHBondContact O-N 2.78Å; V308-R311 CarbonylContact O-C 3.56Å; V308-R311 WeakPolarHBondContact O-CA 3.06Å; V308-R311 VanDerWaalsContact O-CB 3.29Å; V308-R311 WeakPolarHBondContact O-CB 3.44Å; V308-R311 PolarHBondContact O-N 2.86Å; L309-R311 PolarHBondContact O-N 3.03Å; R311-R314 PolarHBondContact O-N 2.88Å; R311-M315 HydrophobicContact CG-SD 4.4Å; R311-M315 PolarHBondContact NH1-SD 3.2Å; R311-M315 VanDerWaalsContact NH1-SD 3.38Å; R311-M315 WeakPolarHBondContact O-CG 3.37Å; R311-M315 PolarHBondContact O-N 3.19Å
312Q95.3Very high91.7Very high73 Ų73101 Ų10134%0.34149%0.486SS..Hα-helixtrans-59.8-48.3176.5-165.1-179.521.100111.3V308 L309 R314 M315 I316V308-Q312 PolarHBondContact O-N 3.35Å; L309-Q312 PolarHBondContact O-N 2.91Å; Q312-R314 PolarHBondContact O-N 3.41Å; Q312-M315 CarbonylContact O-C 3.53Å; Q312-M315 WeakPolarHBondContact O-CA 3.2Å; Q312-M315 WeakPolarHBondContact O-CB 3.14Å; Q312-M315 PolarHBondContact O-N 3.35Å; Q312-I316 HydrophobicContact CG-CD1 4.1Å; Q312-I316 WeakPolarHBondContact O-CG1 3.48Å; Q312-I316 PolarHBondContact O-N 2.8Å
313Q96.1Very high93Very high112 Ų112100.1 Ų100.152%0.52349%0.486SS..Hα-helixtrans-57.9-34.3175.6-172.766.376.600113.1L309 K317L309-Q313 WeakPolarHBondContact O-CB 3.44Å; L309-Q313 PolarHBondContact O-N 2.81Å; Q313-K317 VanDerWaalsContact O-CB 3.29Å; Q313-K317 WeakPolarHBondContact O-CB 3.23Å; Q313-K317 PolarHBondContact O-N 2.69Å
314R96.7Very high94.1Very high174 Ų174101.7 Ų101.766%0.65749%0.491SS*.Hα-helixtrans-73.6-36.1173.9-78.7-176.5-67.9159.30.3112.3K310 R311 Q312 N318K310-R314 WeakPolarHBondContact O-CG 3.44Å; K310-R314 PolarHBondContact O-NE 2.96Å; R311-R314 PolarHBondContact O-N 2.88Å; Q312-R314 PolarHBondContact O-N 3.41Å; R314-N318 WeakPolarHBondContact O-CB 3.35Å; R314-N318 PolarHBondContact O-N 2.92Å
315M96.8Very high95.1Very high105 Ų105100.8 Ų100.852%0.51749%0.493SS..Hα-helixtrans-67.1-43.9173.8-70.9176.362.300111.4R311 Q312 N318 R319R311-M315 HydrophobicContact CG-SD 4.4Å; R311-M315 PolarHBondContact NH1-SD 3.2Å; R311-M315 VanDerWaalsContact NH1-SD 3.38Å; R311-M315 WeakPolarHBondContact O-CG 3.37Å; R311-M315 PolarHBondContact O-N 3.19Å; Q312-M315 CarbonylContact O-C 3.53Å; Q312-M315 WeakPolarHBondContact O-CA 3.2Å; Q312-M315 WeakPolarHBondContact O-CB 3.14Å; Q312-M315 PolarHBondContact O-N 3.35Å; M315-N318 PolarHBondContact O-N 3.16Å; M315-R319 WeakPolarHBondContact O-CB 3.24Å; M315-R319 PolarHBondContact O-N 3.4Å
316I96.3Very high95.6Very high59 Ų59105.7 Ų105.730%0.30351%0.505SS..Hα-helixtrans-58.2-55.5173.4-67.5166.3000109.9L18 Q312 N318 R319 E320L18-I316 HydrophobicContact CD1-CD1 4.35Å; Q312-I316 HydrophobicContact CG-CD1 4.1Å; Q312-I316 WeakPolarHBondContact O-CG1 3.48Å; Q312-I316 PolarHBondContact O-N 2.8Å; I316-N318 PolarHBondContact O-N 3.37Å; I316-N318 VanDerWaalsContact O-N 3.17Å; I316-R319 WeakPolarHBondContact O-CA 3.35Å; I316-R319 WeakPolarHBondContact O-CB 3.37Å; I316-R319 PolarHBondContact O-N 3.06Å; I316-E320 HydrophobicContact CG2-CG 4.37Å; I316-E320 VanDerWaalsContact CG2-OE1 3.29Å; I316-E320 WeakPolarHBondContact CG2-OE1 3.29Å; I316-E320 WeakPolarHBondContact O-CG 3.23Å; I316-E320 PolarHBondContact O-N 3.29Å
317K97.6Very high96.1Very high141 Ų141108.2 Ų108.261%0.61351%0.513SS*.Hα-helixtrans-60-30.4178.4-173.6168.3-177.3169.40113.5Q313 E320 S321Q313-K317 VanDerWaalsContact O-CB 3.29Å; Q313-K317 WeakPolarHBondContact O-CB 3.23Å; Q313-K317 PolarHBondContact O-N 2.69Å; K317-E320 WeakPolarHBondContact CA-OE2 3.08Å; K317-S321 WeakPolarHBondContact O-CB 3.49Å; K317-S321 PolarHBondContact O-N 3.05Å; K317-S321 PolarHBondContact O-OG 3.21Å
318N97.5Very high96.5Very high110 Ų110109.2 Ų109.259%0.58852%0.518SS*.Hα-helixtrans-74.5-40.6173.9-173.7-114.1000112.2R314 M315 I316 S321 A322R314-N318 WeakPolarHBondContact O-CB 3.35Å; R314-N318 PolarHBondContact O-N 2.92Å; M315-N318 PolarHBondContact O-N 3.16Å; I316-N318 PolarHBondContact O-N 3.37Å; I316-N318 VanDerWaalsContact O-N 3.17Å; N318-S321 PolarHBondContact O-N 2.75Å; N318-S321 PolarHBondContact O-OG 2.92Å; N318-A322 WeakPolarHBondContact O-CB 3.12Å; N318-A322 PolarHBondContact O-N 3.48Å
319R97.8Very high96.8Very high135 Ų135111.7 Ų111.751%0.50952%0.522SS..Hα-helixtrans-60.6-47.6173.1-174.1177.7-179.8174.9-1.1111.1M315 I316 C323M315-R319 WeakPolarHBondContact O-CB 3.24Å; M315-R319 PolarHBondContact O-N 3.4Å; I316-R319 WeakPolarHBondContact O-CA 3.35Å; I316-R319 WeakPolarHBondContact O-CB 3.37Å; I316-R319 PolarHBondContact O-N 3.06Å; R319-C323 WeakPolarHBondContact O-CB 3.35Å; R319-C323 PolarHBondContact O-N 3.37Å
320E96.6Very high96.9Very high96 Ų96114.2 Ų114.245%0.44953%0.529SS..Hα-helixtrans-57.9-54.5174.2-70.7167.7177.600112.1I316 K317 A322 C323 Q324I316-E320 HydrophobicContact CG2-CG 4.37Å; I316-E320 VanDerWaalsContact CG2-OE1 3.29Å; I316-E320 WeakPolarHBondContact CG2-OE1 3.29Å; I316-E320 WeakPolarHBondContact O-CG 3.23Å; I316-E320 PolarHBondContact O-N 3.29Å; K317-E320 WeakPolarHBondContact CA-OE2 3.08Å; E320-A322 VanDerWaalsContact C-N 3.34Å; E320-A322 PolarHBondContact O-N 2.89Å; E320-C323 WeakPolarHBondContact O-CB 3.41Å; E320-C323 PolarHBondContact O-N 2.9Å; E320-C323 VanDerWaalsContact O-N 3.16Å; E320-Q324 WeakPolarHBondContact O-CG 3.29Å; E320-Q324 PolarHBondContact O-N 2.94Å
321S96.9Very high97.1Very high58 Ų58112.3 Ų112.341%0.40652%0.522SS..Hα-helixtrans-68.4-31.5-177.252.80000113.1K317 N318 S325K317-S321 WeakPolarHBondContact O-CB 3.49Å; K317-S321 PolarHBondContact O-N 3.05Å; K317-S321 PolarHBondContact O-OG 3.21Å; N318-S321 PolarHBondContact O-N 2.75Å; N318-S321 PolarHBondContact O-OG 2.92Å; S321-S325 WeakPolarHBondContact O-CB 3.29Å; S321-S325 PolarHBondContact O-N 3.44Å
322A96.4Very high97.2Very high39 Ų39112.4 Ų112.432%0.32252%0.523SS..Hα-helixtrans-65.9-42.3169.400000111.8N318 E320 S325 R326N318-A322 WeakPolarHBondContact O-CB 3.12Å; N318-A322 PolarHBondContact O-N 3.48Å; E320-A322 VanDerWaalsContact C-N 3.34Å; E320-A322 PolarHBondContact O-N 2.89Å; A322-S325 PolarHBondContact O-N 3.06Å; A322-R326 WeakPolarHBondContact O-CG 3.48Å; A322-R326 PolarHBondContact O-N 2.74Å
323C97.5Very high97.4Very high81 Ų81112.2 Ų112.255%0.54752%0.524SS..Hα-helixtrans-63.6-49175.2-172.30000111.6R319 E320 S325 R326 K327R319-C323 WeakPolarHBondContact O-CB 3.35Å; R319-C323 PolarHBondContact O-N 3.37Å; E320-C323 WeakPolarHBondContact O-CB 3.41Å; E320-C323 PolarHBondContact O-N 2.9Å; E320-C323 VanDerWaalsContact O-N 3.16Å; C323-S325 VanDerWaalsContact C-N 3.29Å; C323-S325 PolarHBondContact O-N 3.48Å; C323-R326 PolarHBondContact O-N 2.81Å; C323-R326 VanDerWaalsContact O-N 3.16Å; C323-K327 PolarHBondContact O-N 3.28Å
324Q96.9Very high97.5Very high113 Ų113112 Ų11253%0.52852%0.523SS..Hα-helixtrans-60.9-35.9175.4-69.5-177.419.300112.5E320 K327 K328E320-Q324 WeakPolarHBondContact O-CG 3.29Å; E320-Q324 PolarHBondContact O-N 2.94Å; Q324-K327 PolarHBondContact O-N 3.14Å; Q324-K328 WeakPolarHBondContact O-CB 3.12Å; Q324-K328 WeakPolarHBondContact O-CG 3.28Å; Q324-K328 PolarHBondContact O-N 3.46Å
325S97.7Very high97.5Very high78 Ų78108.6 Ų108.655%0.54552%0.518SS..Hα-helixtrans-65.4-43.8174.2-179.90000111.8S321 A322 C323 K329S321-S325 WeakPolarHBondContact O-CB 3.29Å; S321-S325 PolarHBondContact O-N 3.44Å; A322-S325 PolarHBondContact O-N 3.06Å; C323-S325 VanDerWaalsContact C-N 3.29Å; C323-S325 PolarHBondContact O-N 3.48Å; S325-K329 WeakPolarHBondContact O-CB 3.3Å; S325-K329 PolarHBondContact O-N 3.42Å
326R97.9Very high97.6Very high196 Ų196107.4 Ų107.474%0.7451%0.513SS*.Hα-helixtrans-62.4-44.6173.7-70.4173.3-176.4-167.21.1111.7A322 C323 K329 K330A322-R326 WeakPolarHBondContact O-CG 3.48Å; A322-R326 PolarHBondContact O-N 2.74Å; C323-R326 PolarHBondContact O-N 2.81Å; C323-R326 VanDerWaalsContact O-N 3.16Å; R326-K329 PolarHBondContact O-N 3.22Å; R326-K330 PolarHBondContact O-N 2.81Å
327K98.1Very high97.7Very high134 Ų134109.8 Ų109.858%0.58352%0.523SS*.Hα-helixtrans-59-52.3176.2177.4169.6172.4174.30111.6C323 Q324 K329 K330 E331C323-K327 PolarHBondContact O-N 3.28Å; Q324-K327 PolarHBondContact O-N 3.14Å; K327-K329 VanDerWaalsContact C-N 3.26Å; K327-K329 PolarHBondContact O-N 3.49Å; K327-K330 WeakPolarHBondContact O-CB 3.2Å; K327-K330 PolarHBondContact O-N 3.4Å; K327-E331 WeakPolarHBondContact CE-OE1 3.3Å; K327-E331 HydrophobicContact CG-CG 4.48Å; K327-E331 WeakPolarHBondContact CG-OE1 3.4Å; K327-E331 IonicContact NZ-OE1 2.65Å; K327-E331 WeakPolarHBondContact O-CG 3.41Å; K327-E331 PolarHBondContact O-N 2.81Å
328K98.1Very high97.7Very high136 Ų136105 Ų10559%0.59151%0.51SS*.Hα-helixtrans-60.9-32.5176.5-73.4177.9177.9179.90113.2Q324 E331 Y332Q324-K328 WeakPolarHBondContact O-CB 3.12Å; Q324-K328 WeakPolarHBondContact O-CG 3.28Å; Q324-K328 PolarHBondContact O-N 3.46Å; K328-E331 WeakPolarHBondContact CA-OE2 3.49Å; K328-Y332 WeakPolarHBondContact O-CB 3.48Å; K328-Y332 PolarHBondContact O-N 3.18Å
329K97.9Very high97.7Very high138 Ų138105.6 Ų105.660%0.651%0.509SS*.Hα-helixtrans-69.3-40.4172.4-169.7-179.6177.7-172.40112S325 R326 K327 Y332 L333S325-K329 WeakPolarHBondContact O-CB 3.3Å; S325-K329 PolarHBondContact O-N 3.42Å; R326-K329 PolarHBondContact O-N 3.22Å; K327-K329 VanDerWaalsContact C-N 3.26Å; K327-K329 PolarHBondContact O-N 3.49Å; K329-Y332 PolarHBondContact O-N 3.03Å; K329-L333 HydrophobicContact CG-CD1 4.16Å; K329-L333 WeakPolarHBondContact O-CB 3.41Å; K329-L333 VanDerWaalsContact O-CG 3.32Å; K329-L333 WeakPolarHBondContact O-CG 3.45Å; K329-L333 PolarHBondContact O-N 2.9Å
330K98.1Very high97.7Very high146 Ų146104.2 Ų104.264%0.63551%0.511SS*.Hα-helixtrans-62-47.9173.7-175.2174.5179175.80110.8R326 K327 Y332 L333 Q334R326-K330 PolarHBondContact O-N 2.81Å; K327-K330 WeakPolarHBondContact O-CB 3.2Å; K327-K330 PolarHBondContact O-N 3.4Å; K330-Y332 PolarHBondContact O-N 2.88Å; K330-L333 PolarHBondContact O-N 2.78Å; K330-Q334 VanDerWaalsContact O-CB 3.28Å; K330-Q334 WeakPolarHBondContact O-CB 3.39Å; K330-Q334 PolarHBondContact O-N 2.96Å
331E97.8Very high97.8Very high82 Ų82107.3 Ų107.338%0.38352%0.519SS..Hα-helixtrans-58.4-43.7176.7-68.7163.3170.400112K327 K328 N335K327-E331 WeakPolarHBondContact CE-OE1 3.3Å; K327-E331 HydrophobicContact CG-CG 4.48Å; K327-E331 WeakPolarHBondContact CG-OE1 3.4Å; K327-E331 IonicContact NZ-OE1 2.65Å; K327-E331 WeakPolarHBondContact O-CG 3.41Å; K327-E331 PolarHBondContact O-N 2.81Å; K328-E331 WeakPolarHBondContact CA-OE2 3.49Å; E331-N335 WeakPolarHBondContact O-CB 3.33Å; E331-N335 PolarHBondContact O-N 3.32Å
332Y98Very high97.8Very high155 Ų155110.9 Ų110.961%0.60853%0.529SS*.Hα-helixtrans-65.2-43.4176.3176-103.9000113.1K328 K329 K330 N335 L336K328-Y332 WeakPolarHBondContact O-CB 3.48Å; K328-Y332 PolarHBondContact O-N 3.18Å; K329-Y332 PolarHBondContact O-N 3.03Å; K330-Y332 PolarHBondContact O-N 2.88Å; Y332-N335 PolarHBondContact O-N 3.31Å; Y332-L336 WeakPolarHBondContact O-CB 3.4Å; Y332-L336 PolarHBondContact O-N 2.82Å
333L98.3Very high97.8Very high69 Ų69111.8 Ų111.836%0.36154%0.537SS..Hα-helixtrans-65.9-44177-71.8171.4000111.5K329 K330 N335 L336 E337K329-L333 HydrophobicContact CG-CD1 4.16Å; K329-L333 WeakPolarHBondContact O-CB 3.41Å; K329-L333 VanDerWaalsContact O-CG 3.32Å; K329-L333 WeakPolarHBondContact O-CG 3.45Å; K329-L333 PolarHBondContact O-N 2.9Å; K330-L333 PolarHBondContact O-N 2.78Å; L333-N335 VanDerWaalsContact C-N 3.31Å; L333-N335 PolarHBondContact O-N 2.87Å; L333-L336 CarbonylContact O-C 3.6Å; L333-L336 WeakPolarHBondContact O-CA 3.32Å; L333-L336 WeakPolarHBondContact O-CB 3.12Å; L333-L336 PolarHBondContact O-N 2.88Å; L333-E337 VanDerWaalsContact O-CG 3.31Å; L333-E337 WeakPolarHBondContact O-CG 3.38Å; L333-E337 PolarHBondContact O-N 3.16Å
334Q98Very high97.8Very high106 Ų106112.9 Ų112.950%0.49553%0.534SS..Hα-helixtrans-61.1-38.1176.7-174.3175.1-1.400112.2K330 E337 A338K330-Q334 VanDerWaalsContact O-CB 3.28Å; K330-Q334 WeakPolarHBondContact O-CB 3.39Å; K330-Q334 PolarHBondContact O-N 2.96Å; Q334-E337 PolarHBondContact O-N 3.05Å; Q334-A338 WeakPolarHBondContact O-CB 3.42Å; Q334-A338 PolarHBondContact O-N 3.3Å
335N98.3Very high97.9Very high103 Ų103114 Ų11455%0.55154%0.539SS*.Hα-helixtrans-68.2-36.7172.6-77.95000112.4E331 Y332 L333 A338 Q339E331-N335 WeakPolarHBondContact O-CB 3.33Å; E331-N335 PolarHBondContact O-N 3.32Å; Y332-N335 PolarHBondContact O-N 3.31Å; L333-N335 VanDerWaalsContact C-N 3.31Å; L333-N335 PolarHBondContact O-N 2.87Å; N335-A338 PolarHBondContact O-N 3.45Å; N335-Q339 WeakPolarHBondContact O-CG 3.12Å; N335-Q339 PolarHBondContact O-N 3.21Å
336L98Very high97.9Very high80 Ų80114.7 Ų114.742%0.41953%0.533SS..Hα-helixtrans-68-38.1175.4-172.565.9000111.6Y332 L333 Q339 L340Y332-L336 WeakPolarHBondContact O-CB 3.4Å; Y332-L336 PolarHBondContact O-N 2.82Å; L333-L336 CarbonylContact O-C 3.6Å; L333-L336 WeakPolarHBondContact O-CA 3.32Å; L333-L336 WeakPolarHBondContact O-CB 3.12Å; L333-L336 PolarHBondContact O-N 2.88Å; L336-Q339 PolarHBondContact O-N 2.71Å; L336-L340 WeakPolarHBondContact O-CB 3.34Å; L336-L340 PolarHBondContact O-N 3.45Å
337E97.9Very high97.8Very high109 Ų109108.9 Ų108.951%0.50952%0.517SS..Hα-helixtrans-68-31.9173.1-70.7158.9-16200112.5L333 Q334 R341L333-E337 VanDerWaalsContact O-CG 3.31Å; L333-E337 WeakPolarHBondContact O-CG 3.38Å; L333-E337 PolarHBondContact O-N 3.16Å; Q334-E337 PolarHBondContact O-N 3.05Å; E337-R341 WeakPolarHBondContact O-CG 3.42Å; E337-R341 PolarHBondContact O-N 3.34Å; E337-R341 PolarHBondContact O-NE 2.88Å
338A98.1Very high97.8Very high40 Ų40107.7 Ų107.733%0.33151%0.514SS..Hα-helixtrans-68.1-49.3170.400000111.3Q334 N335 L340 R341 E342Q334-A338 WeakPolarHBondContact O-CB 3.42Å; Q334-A338 PolarHBondContact O-N 3.3Å; N335-A338 PolarHBondContact O-N 3.45Å; A338-L340 VanDerWaalsContact C-N 3.29Å; A338-L340 PolarHBondContact O-N 3.29Å; A338-R341 PolarHBondContact O-N 2.78Å; A338-E342 PolarHBondContact O-N 2.74Å
339Q97.8Very high97.7Very high123 Ų123106.9 Ų106.958%0.57551%0.507SS*.Hα-helixtrans-61-36.3176.1-73.5176.5-3.300112.6N335 L336 A343N335-Q339 WeakPolarHBondContact O-CG 3.12Å; N335-Q339 PolarHBondContact O-N 3.21Å; L336-Q339 PolarHBondContact O-N 2.71Å; Q339-A343 VanDerWaalsContact O-CB 3.26Å; Q339-A343 WeakPolarHBondContact O-CB 3.36Å; Q339-A343 PolarHBondContact O-N 3.14Å
340L97.8Very high97.7Very high106 Ų106103.6 Ų103.656%0.55550%0.495SS*.Hα-helixtrans-61.3-48.5174-169.281.4000111.1L336 A338 A343 Q344L336-L340 WeakPolarHBondContact O-CB 3.34Å; L336-L340 PolarHBondContact O-N 3.45Å; A338-L340 VanDerWaalsContact C-N 3.29Å; A338-L340 PolarHBondContact O-N 3.29Å; L340-A343 PolarHBondContact O-N 3.43Å; L340-Q344 WeakPolarHBondContact O-CB 3.48Å; L340-Q344 VanDerWaalsContact O-CG 3.24Å; L340-Q344 WeakPolarHBondContact O-CG 3.29Å; L340-Q344 PolarHBondContact O-N 3.43Å; L340-Q344 PolarHBondContact O-OE1 2.83Å
341R97.7Very high97.6Very high161 Ų161104.6 Ų104.661%0.60850%0.495SS*.Hα-helixtrans-65.5-41.5179.4-74.7-177.5-67.4154-2.5112.5E337 A338 Q344 Q345E337-R341 WeakPolarHBondContact O-CG 3.42Å; E337-R341 PolarHBondContact O-N 3.34Å; E337-R341 PolarHBondContact O-NE 2.88Å; A338-R341 PolarHBondContact O-N 2.78Å; R341-Q344 PolarHBondContact O-N 2.76Å; R341-Q345 WeakPolarHBondContact O-CB 3.46Å; R341-Q345 PolarHBondContact O-N 3.49Å
342E98.1Very high97.6Very high134 Ų134107.5 Ų107.563%0.62650%0.503SS*.Hα-helixtrans-60.5-48.7174.5-175.2177.8-16900111.1A338 Q344 Q345 E346A338-E342 PolarHBondContact O-N 2.74Å; E342-Q344 VanDerWaalsContact C-N 3.32Å; E342-Q344 PolarHBondContact O-N 3.19Å; E342-Q345 PolarHBondContact O-N 3.44Å; E342-E346 PolarHBondContact O-N 3.41Å
343A96.5Very high97.5Very high58 Ų58104.6 Ų104.648%0.47950%0.495SS..Hα-helixtrans-64.2-33.9176.800000112.9Q339 L340 N347Q339-A343 VanDerWaalsContact O-CB 3.26Å; Q339-A343 WeakPolarHBondContact O-CB 3.36Å; Q339-A343 PolarHBondContact O-N 3.14Å; L340-A343 PolarHBondContact O-N 3.43Å; A343-N347 WeakPolarHBondContact O-CB 3.48Å; A343-N347 PolarHBondContact O-N 3.45Å
344Q97.3Very high97.4Very high104 Ų104105.3 Ų105.349%0.48650%0.499SS..Hα-helixtrans-66.7-47.3172.6-76171-5200111.4L340 R341 E342 E346 N347 E348L340-Q344 WeakPolarHBondContact O-CB 3.48Å; L340-Q344 VanDerWaalsContact O-CG 3.24Å; L340-Q344 WeakPolarHBondContact O-CG 3.29Å; L340-Q344 PolarHBondContact O-N 3.43Å; L340-Q344 PolarHBondContact O-OE1 2.83Å; R341-Q344 PolarHBondContact O-N 2.76Å; E342-Q344 VanDerWaalsContact C-N 3.32Å; E342-Q344 PolarHBondContact O-N 3.19Å; Q344-E346 VanDerWaalsContact C-N 3.34Å; Q344-E346 PolarHBondContact O-N 2.97Å; Q344-N347 WeakPolarHBondContact O-CB 3.4Å; Q344-N347 PolarHBondContact O-N 2.95Å; Q344-N347 VanDerWaalsContact O-N 3.09Å; Q344-E348 PolarHBondContact O-N 2.91Å
345Q98.3Very high97.3Very high137 Ų137105.6 Ų105.664%0.6450%0.5SS*.Hα-helixtrans-62.3-40178.1-170.2-178.220.500111.8R341 E342 E348 R349R341-Q345 WeakPolarHBondContact O-CB 3.46Å; R341-Q345 PolarHBondContact O-N 3.49Å; E342-Q345 PolarHBondContact O-N 3.44Å; Q345-E348 PolarHBondContact O-N 3.28Å; Q345-R349 PolarHBondContact O-N 3.25Å
346E97.3Very high97.2Very high91 Ų91102.8 Ų102.843%0.42549%0.492SS..Hα-helixtrans-64.4-42.2171174.3160.9-120.300111.7E342 Q344 E348 R349 L350E342-E346 PolarHBondContact O-N 3.41Å; Q344-E346 VanDerWaalsContact C-N 3.34Å; Q344-E346 PolarHBondContact O-N 2.97Å; E346-E348 VanDerWaalsContact C-N 3.27Å; E346-E348 PolarHBondContact O-N 3.43Å; E346-R349 WeakPolarHBondContact O-CB 3.49Å; E346-R349 PolarHBondContact O-N 2.81Å; E346-R349 IonicContact OE1-CZ 3.78Å; E346-R349 IonicContact OE1-NH2 3.78Å; E346-R349 PolarHBondContact OE1-NH2 2.95Å; E346-L350 HydrophobicContact CG-CD1 3.68Å; E346-L350 HydrophobicContact CG-CG 4.03Å; E346-L350 WeakPolarHBondContact O-CB 3.2Å; E346-L350 WeakPolarHBondContact O-CG 3.37Å; E346-L350 PolarHBondContact O-N 2.88Å
347N96.4Very high97Very high74 Ų74103.4 Ų103.440%0.39650%0.495SS..Hα-helixtrans-61.1-38177.9-149.1-87.7000111.8A343 Q344 R351A343-N347 WeakPolarHBondContact O-CB 3.48Å; A343-N347 PolarHBondContact O-N 3.45Å; Q344-N347 WeakPolarHBondContact O-CB 3.4Å; Q344-N347 PolarHBondContact O-N 2.95Å; Q344-N347 VanDerWaalsContact O-N 3.09Å; N347-R351 WeakPolarHBondContact O-CB 3.49Å; N347-R351 VanDerWaalsContact O-CG 3.28Å; N347-R351 WeakPolarHBondContact O-CG 3.37Å; N347-R351 PolarHBondContact O-N 3.4Å; N347-R351 PolarHBondContact OD1-NE 3.42Å; N347-R351 PolarHBondContact OD1-NH1 2.88Å; N347-R351 VanDerWaalsContact OD1-NH1 3.1Å; N347-R351 PolarHBondContact OD1-NH2 2.83Å
348E97.5Very high96.8Very high110 Ų110106.9 Ų106.951%0.51450%0.503SS..Hα-helixtrans-68.3-41.7173-71.1-172.2178.400113.3Q344 Q345 E346 R351 R352Q344-E348 PolarHBondContact O-N 2.91Å; Q345-E348 PolarHBondContact O-N 3.28Å; E346-E348 VanDerWaalsContact C-N 3.27Å; E346-E348 PolarHBondContact O-N 3.43Å; E348-R351 PolarHBondContact O-N 3.01Å; E348-R352 PolarHBondContact O-N 2.91Å
349R97.8Very high96.5Very high118 Ų118109.8 Ų109.845%0.44551%0.51SS..Hα-helixtrans-55.7-54.1171.7171.7178.371173.71.2110.3Q345 E346 R351 R352 E353Q345-R349 PolarHBondContact O-N 3.25Å; E346-R349 WeakPolarHBondContact O-CB 3.49Å; E346-R349 PolarHBondContact O-N 2.81Å; E346-R349 IonicContact OE1-CZ 3.78Å; E346-R349 IonicContact OE1-NH2 3.78Å; E346-R349 PolarHBondContact OE1-NH2 2.95Å; R349-R351 VanDerWaalsContact C-N 3.27Å; R349-R351 PolarHBondContact O-N 2.82Å; R349-R352 PolarHBondContact O-N 3.16Å; R349-R352 VanDerWaalsContact O-N 3.11Å; R349-E353 WeakPolarHBondContact CD-OE1 3.39Å; R349-E353 HydrophobicContact CG-CG 4.49Å; R349-E353 WeakPolarHBondContact CG-OE1 3.42Å; R349-E353 WeakPolarHBondContact O-CG 3.48Å; R349-E353 PolarHBondContact O-N 2.76Å
350L96.9Very high96.3Very high69 Ų69112.9 Ų112.936%0.36152%0.516SS..Hα-helixtrans-63.2-32.2-179.2-68.9173.6000112E346 N354E346-L350 HydrophobicContact CG-CD1 3.68Å; E346-L350 HydrophobicContact CG-CG 4.03Å; E346-L350 WeakPolarHBondContact O-CB 3.2Å; E346-L350 WeakPolarHBondContact O-CG 3.37Å; E346-L350 PolarHBondContact O-N 2.88Å; L350-N354 VanDerWaalsContact O-CB 3.27Å; L350-N354 WeakPolarHBondContact O-CB 3.45Å; L350-N354 PolarHBondContact O-N 2.8Å; L350-N354 PolarHBondContact O-ND2 2.9Å
351R96.1Very high95.8Very high168 Ų168112.9 Ų112.963%0.63452%0.516SS*.Hα-helixtrans-67-45.1171.3-81.5175.2176.2140.54.3112.4N347 E348 R349 N354 Q355N347-R351 WeakPolarHBondContact O-CB 3.49Å; N347-R351 VanDerWaalsContact O-CG 3.28Å; N347-R351 WeakPolarHBondContact O-CG 3.37Å; N347-R351 PolarHBondContact O-N 3.4Å; N347-R351 PolarHBondContact OD1-NE 3.42Å; N347-R351 PolarHBondContact OD1-NH1 2.88Å; N347-R351 VanDerWaalsContact OD1-NH1 3.1Å; N347-R351 PolarHBondContact OD1-NH2 2.83Å; E348-R351 PolarHBondContact O-N 3.01Å; R349-R351 VanDerWaalsContact C-N 3.27Å; R349-R351 PolarHBondContact O-N 2.82Å; R351-N354 PolarHBondContact O-N 3.11Å; R351-Q355 WeakPolarHBondContact O-CB 3.49Å; R351-Q355 PolarHBondContact O-N 3.17Å
352R97.3Very high95.3Very high143 Ų143107.8 Ų107.854%0.5451%0.509SS..Hα-helixtrans-62.2-42.2175.2-77.4-179.3-92.6115.3-6.3111.8E348 R349 Q355 A356E348-R352 PolarHBondContact O-N 2.91Å; R349-R352 PolarHBondContact O-N 3.16Å; R349-R352 VanDerWaalsContact O-N 3.11Å; R352-Q355 PolarHBondContact O-N 2.88Å; R352-A356 PolarHBondContact O-N 3.27Å
353E96.7Very high94.7Very high93 Ų93106.2 Ų106.244%0.43551%0.508SS..Hα-helixtrans-64.1-44.6173.8-71.6171.4-162.400112.2R349 Q355 A356 L357R349-E353 WeakPolarHBondContact CD-OE1 3.39Å; R349-E353 HydrophobicContact CG-CG 4.49Å; R349-E353 WeakPolarHBondContact CG-OE1 3.42Å; R349-E353 WeakPolarHBondContact O-CG 3.48Å; R349-E353 PolarHBondContact O-N 2.76Å; E353-Q355 VanDerWaalsContact C-N 3.3Å; E353-Q355 PolarHBondContact O-N 2.75Å; E353-A356 PolarHBondContact O-N 3.25Å; E353-L357 WeakPolarHBondContact O-CB 3.41Å; E353-L357 VanDerWaalsContact O-CG 3.28Å; E353-L357 WeakPolarHBondContact O-CG 2.99Å; E353-L357 PolarHBondContact O-N 2.93Å
354N95.7Very high94.1Very high84 Ų84109.6 Ų109.645%0.44951%0.512SS..Hα-helixtrans-63.1-35.3175.2-90.4-93.9000112.5L350 R351 R358L350-N354 VanDerWaalsContact O-CB 3.27Å; L350-N354 WeakPolarHBondContact O-CB 3.45Å; L350-N354 PolarHBondContact O-N 2.8Å; L350-N354 PolarHBondContact O-ND2 2.9Å; R351-N354 PolarHBondContact O-N 3.11Å; N354-R358 WeakPolarHBondContact O-CB 3.38Å; N354-R358 WeakPolarHBondContact O-CD 3.25Å; N354-R358 WeakPolarHBondContact O-CG 3.19Å; N354-R358 PolarHBondContact O-N 2.85Å
355Q95.9Very high93.2Very high112 Ų112111.2 Ų111.252%0.52352%0.52SS..Hα-helixtrans-64.4-53.2173176.1174.7-15.400110.8R351 R352 E353 L357 R358 E359R351-Q355 WeakPolarHBondContact O-CB 3.49Å; R351-Q355 PolarHBondContact O-N 3.17Å; R352-Q355 PolarHBondContact O-N 2.88Å; E353-Q355 VanDerWaalsContact C-N 3.3Å; E353-Q355 PolarHBondContact O-N 2.75Å; Q355-L357 VanDerWaalsContact C-N 3.27Å; Q355-L357 PolarHBondContact O-N 2.81Å; Q355-R358 WeakPolarHBondContact O-CB 3.24Å; Q355-R358 PolarHBondContact O-N 2.96Å; Q355-E359 HydrophobicContact CG-CG 4.46Å; Q355-E359 WeakPolarHBondContact CG-OE1 3.49Å; Q355-E359 PolarHBondContact NE2-OE1 2.79Å; Q355-E359 WeakPolarHBondContact O-CG 3.32Å; Q355-E359 PolarHBondContact O-N 3.32Å
356A95.9Very high91.9Very high45 Ų45108.2 Ų108.237%0.37251%0.514SS..Hα-helixtrans-59.7-36.2178.900000112.7R352 E353 R360R352-A356 PolarHBondContact O-N 3.27Å; E353-A356 PolarHBondContact O-N 3.25Å; A356-R360 WeakPolarHBondContact O-CB 3.38Å; A356-R360 VanDerWaalsContact O-CG 3.27Å; A356-R360 WeakPolarHBondContact O-CG 3.38Å; A356-R360 PolarHBondContact O-N 3.42Å
357L95Very high90.7Very high92 Ų92107.3 Ų107.348%0.48252%0.517SS..Hα-helixtrans-67.3-40.7173.2-72.2171.9000112.3E353 Q355 R360 L361E353-L357 WeakPolarHBondContact O-CB 3.41Å; E353-L357 VanDerWaalsContact O-CG 3.28Å; E353-L357 WeakPolarHBondContact O-CG 2.99Å; E353-L357 PolarHBondContact O-N 2.93Å; Q355-L357 VanDerWaalsContact C-N 3.27Å; Q355-L357 PolarHBondContact O-N 2.81Å; L357-R360 PolarHBondContact O-N 3.23Å; L357-L361 WeakPolarHBondContact O-CB 3.4Å; L357-L361 VanDerWaalsContact O-CG 3.31Å; L357-L361 WeakPolarHBondContact O-CG 3.47Å; L357-L361 PolarHBondContact O-N 2.92Å
358R92.1Very high89.4Confident182 Ų182106.8 Ų106.869%0.68751%0.514SS*.Hα-helixtrans-65.2-39.9174.8-76.2169.6178.9-160.8-1.2112.3N354 Q355 L361 A362N354-R358 WeakPolarHBondContact O-CB 3.38Å; N354-R358 WeakPolarHBondContact O-CD 3.25Å; N354-R358 WeakPolarHBondContact O-CG 3.19Å; N354-R358 PolarHBondContact O-N 2.85Å; Q355-R358 WeakPolarHBondContact O-CB 3.24Å; Q355-R358 PolarHBondContact O-N 2.96Å; R358-L361 PolarHBondContact O-N 2.83Å; R358-A362 WeakPolarHBondContact O-CB 3.29Å; R358-A362 PolarHBondContact O-N 2.85Å
359E92.8Very high87.8Confident102 Ų102103.9 Ų103.948%0.47751%0.506SS..Hα-helixtrans-64.2-46.1175.7-72165.9-175.500111Q355 L361 A362 V363Q355-E359 HydrophobicContact CG-CG 4.46Å; Q355-E359 WeakPolarHBondContact CG-OE1 3.49Å; Q355-E359 PolarHBondContact NE2-OE1 2.79Å; Q355-E359 WeakPolarHBondContact O-CG 3.32Å; Q355-E359 PolarHBondContact O-N 3.32Å; E359-L361 VanDerWaalsContact C-N 3.31Å; E359-L361 PolarHBondContact O-N 2.86Å; E359-A362 PolarHBondContact O-N 2.8Å; E359-V363 WeakPolarHBondContact O-CG2 3.23Å; E359-V363 PolarHBondContact O-N 3.14Å
360R92.6Very high86.1Confident187 Ų187100.6 Ų100.671%0.70650%0.504SS*.Hα-helixtrans-60.8-37.5173.8-72.5175.470-173.83.2112.9A356 L357 K364A356-R360 WeakPolarHBondContact O-CB 3.38Å; A356-R360 VanDerWaalsContact O-CG 3.27Å; A356-R360 WeakPolarHBondContact O-CG 3.38Å; A356-R360 PolarHBondContact O-N 3.42Å; L357-R360 PolarHBondContact O-N 3.23Å; R360-K364 WeakPolarHBondContact O-CB 3.29Å; R360-K364 PolarHBondContact O-N 3.32Å; R360-K364 VanDerWaalsContact O-N 3.1Å
361L87.8Confident84.8Confident106 Ų106100 Ų10056%0.55551%0.506SS*.Hα-helixtrans-68.9-45.2174.5-73.7166.8000111.7L357 R358 E359 V363 K364 E365L357-L361 WeakPolarHBondContact O-CB 3.4Å; L357-L361 VanDerWaalsContact O-CG 3.31Å; L357-L361 WeakPolarHBondContact O-CG 3.47Å; L357-L361 PolarHBondContact O-N 2.92Å; R358-L361 PolarHBondContact O-N 2.83Å; E359-L361 VanDerWaalsContact C-N 3.31Å; E359-L361 PolarHBondContact O-N 2.86Å; L361-V363 PolarHBondContact O-N 3.17Å; L361-K364 CarbonylContact O-C 3.56Å; L361-K364 PolarHBondContact O-N 3.5Å; L361-K364 VanDerWaalsContact O-N 3.12Å; L361-E365 WeakPolarHBondContact O-CB 3.49Å; L361-E365 WeakPolarHBondContact O-CG 3.45Å; L361-E365 PolarHBondContact O-N 3.01Å
362A87.2Confident83.6Confident55 Ų5596.4 Ų96.446%0.45550%0.499SS..Hα-helixtrans-61.9-40.7177.600000112.5R358 E359 S366R358-A362 WeakPolarHBondContact O-CB 3.29Å; R358-A362 PolarHBondContact O-N 2.85Å; E359-A362 PolarHBondContact O-N 2.8Å; A362-S366 WeakPolarHBondContact O-CB 3.16Å; A362-S366 PolarHBondContact O-N 2.9Å
363V86.1Confident82.7Confident100 Ų10096 Ų9661%0.60650%0.502SS*.Hα-helixtrans-59.9-47.9171.9170.10000110.2E359 L361 S366 S367E359-V363 WeakPolarHBondContact O-CG2 3.23Å; E359-V363 PolarHBondContact O-N 3.14Å; L361-V363 PolarHBondContact O-N 3.17Å; V363-S366 PolarHBondContact O-N 3.01Å; V363-S366 PolarHBondContact O-OG 2.77Å; V363-S367 PolarHBondContact O-N 3.04Å
364K83Confident81.8Confident129 Ų129100.8 Ų100.856%0.56152%0.516SS*.Hα-helixtrans-64.3-46179-177.7164.5-179.6174.60112.4R360 L361 S366 S367 D368R360-K364 WeakPolarHBondContact O-CB 3.29Å; R360-K364 PolarHBondContact O-N 3.32Å; R360-K364 VanDerWaalsContact O-N 3.1Å; L361-K364 CarbonylContact O-C 3.56Å; L361-K364 PolarHBondContact O-N 3.5Å; L361-K364 VanDerWaalsContact O-N 3.12Å; K364-S366 VanDerWaalsContact C-N 3.27Å; K364-S366 PolarHBondContact O-N 3.28Å; K364-S367 PolarHBondContact O-N 2.71Å; K364-S367 VanDerWaalsContact O-N 3.17Å; K364-D368 WeakPolarHBondContact CE-OD2 3.47Å; K364-D368 WeakPolarHBondContact CG-OD2 3.45Å; K364-D368 WeakPolarHBondContact O-CB 3.37Å; K364-D368 PolarHBondContact O-N 3.37Å
365E78.4Confident81.1Confident139 Ų13999 Ų9965%0.6551%0.513SS*.Hα-helixtrans-59.6-36.4175.8-74.1-177.1175.900112L361 S369L361-E365 WeakPolarHBondContact O-CB 3.49Å; L361-E365 WeakPolarHBondContact O-CG 3.45Å; L361-E365 PolarHBondContact O-N 3.01Å; E365-S369 WeakPolarHBondContact O-CB 3.5Å; E365-S369 PolarHBondContact O-N 2.98Å
366S72.2Confident80.4Confident74 Ų7498.4 Ų98.452%0.51752%0.516SS..Hα-helixtrans-67.5-42175.178.50000112.4A362 V363 K364 S369 A370A362-S366 WeakPolarHBondContact O-CB 3.16Å; A362-S366 PolarHBondContact O-N 2.9Å; V363-S366 PolarHBondContact O-N 3.01Å; V363-S366 PolarHBondContact O-OG 2.77Å; K364-S366 VanDerWaalsContact C-N 3.27Å; K364-S366 PolarHBondContact O-N 3.28Å; S366-S369 PolarHBondContact O-N 2.99Å; S366-A370 PolarHBondContact O-N 3.36Å
367S70.4Confident79.6Confident71 Ų71100.3 Ų100.350%0.49753%0.526SS..Hα-helixtrans-66.3-48.3177.1-172.30000111.6V363 K364 S369 A370 S371V363-S367 PolarHBondContact O-N 3.04Å; K364-S367 PolarHBondContact O-N 2.71Å; K364-S367 VanDerWaalsContact O-N 3.17Å; S367-S369 VanDerWaalsContact C-N 3.31Å; S367-S369 PolarHBondContact O-N 3.41Å; S367-A370 PolarHBondContact O-N 3.05Å; S367-A370 VanDerWaalsContact O-N 3.16Å; S367-S371 WeakPolarHBondContact O-CB 3.47Å; S367-S371 PolarHBondContact O-N 3.4Å; S367-S371 PolarHBondContact O-OG 2.83Å
368D69.6Low79.2Confident63 Ų63100.2 Ų100.234%0.33753%0.529SS..Hα-helixtrans-64.6-34.6175.7-72.1-19.4000110.8K364 S371 N372K364-D368 WeakPolarHBondContact CE-OD2 3.47Å; K364-D368 WeakPolarHBondContact CG-OD2 3.45Å; K364-D368 WeakPolarHBondContact O-CB 3.37Å; K364-D368 PolarHBondContact O-N 3.37Å; D368-S371 WeakPolarHBondContact CA-OG 3.41Å; D368-S371 PolarHBondContact O-OG 3.37Å; D368-N372 WeakPolarHBondContact O-CB 3.31Å; D368-N372 VanDerWaalsContact O-CG 3.26Å; D368-N372 PolarHBondContact O-N 3.28Å; D368-N372 PolarHBondContact O-ND2 3.12Å
369S63.5Low78.8Confident50 Ų5097.1 Ų97.135%0.3552%0.524SS..Hα-helixtrans-65.3-40.5172.8-163.40000112E365 S366 S367 K373E365-S369 WeakPolarHBondContact O-CB 3.5Å; E365-S369 PolarHBondContact O-N 2.98Å; S366-S369 PolarHBondContact O-N 2.99Å; S367-S369 VanDerWaalsContact C-N 3.31Å; S367-S369 PolarHBondContact O-N 3.41Å; S369-K373 WeakPolarHBondContact O-CB 3.45Å; S369-K373 WeakPolarHBondContact O-CD 3.28Å; S369-K373 WeakPolarHBondContact O-CG 3.49Å; S369-K373 PolarHBondContact O-N 2.84Å; S369-K373 VanDerWaalsContact O-N 3.14Å; S369-K373 WeakPolarHBondContact OG-CE 3.37Å; S369-K373 PolarHBondContact OG-NZ 2.76Å
370A63.7Low78.5Confident48 Ų4894.7 Ų94.740%0.39752%0.521SS..Hα-helixtrans-71.6-42.9178.300000112.6S366 S367 R374S366-A370 PolarHBondContact O-N 3.36Å; S367-A370 PolarHBondContact O-N 3.05Å; S367-A370 VanDerWaalsContact O-N 3.16Å; A370-R374 WeakPolarHBondContact O-CG 3.34Å; A370-R374 PolarHBondContact O-N 3.3Å
371S68.2Low78.4Confident56 Ų5690 Ų9039%0.39251%0.513SS..Hα-helixtrans-68.9-45.3178.270.60000111.3S367 D368 K373 R374 A375S367-S371 WeakPolarHBondContact O-CB 3.47Å; S367-S371 PolarHBondContact O-N 3.4Å; S367-S371 PolarHBondContact O-OG 2.83Å; D368-S371 WeakPolarHBondContact CA-OG 3.41Å; D368-S371 PolarHBondContact O-OG 3.37Å; S371-K373 PolarHBondContact O-N 3.04Å; S371-R374 PolarHBondContact O-N 3.12Å; S371-A375 WeakPolarHBondContact O-CB 3.45Å; S371-A375 PolarHBondContact O-N 2.89Å
372N72.6Confident78.3Confident94 Ų9489.5 Ų89.550%0.50351%0.51SS..Hα-helixtrans-66.4-35.9178-73.6-59.6000112.3D368 R374 A375 V376D368-N372 WeakPolarHBondContact O-CB 3.31Å; D368-N372 VanDerWaalsContact O-CG 3.26Å; D368-N372 PolarHBondContact O-N 3.28Å; D368-N372 PolarHBondContact O-ND2 3.12Å; N372-R374 VanDerWaalsContact C-N 3.35Å; N372-R374 PolarHBondContact O-N 2.77Å; N372-A375 PolarHBondContact O-N 2.94Å; N372-V376 VanDerWaalsContact O-CB 3.29Å; N372-V376 WeakPolarHBondContact O-CB 3.46Å; N372-V376 VanDerWaalsContact O-CG2 3.23Å; N372-V376 WeakPolarHBondContact O-CG2 3.27Å; N372-V376 PolarHBondContact O-N 3.26Å
373K78.1Confident78.2Confident135 Ų13592.1 Ų92.159%0.58752%0.516SS*.Hα-helixtrans-60.2-44.8171.6-76.9163.7-1731490111.5S369 S371 C377S369-K373 WeakPolarHBondContact O-CB 3.45Å; S369-K373 WeakPolarHBondContact O-CD 3.28Å; S369-K373 WeakPolarHBondContact O-CG 3.49Å; S369-K373 PolarHBondContact O-N 2.84Å; S369-K373 VanDerWaalsContact O-N 3.14Å; S369-K373 WeakPolarHBondContact OG-CE 3.37Å; S369-K373 PolarHBondContact OG-NZ 2.76Å; S371-K373 PolarHBondContact O-N 3.04Å; K373-C377 WeakPolarHBondContact O-CB 3.28Å; K373-C377 PolarHBondContact O-N 3.17Å; K373-C377 PolarHBondContact O-SG 3.23Å
374R77.3Confident78.2Confident193 Ų19394.8 Ų94.873%0.72852%0.52SS*.Hα-helixtrans-65.6-44.9176.4-69.4175.2-177.8-166.11.1111.6A370 S371 N372 C377 V378A370-R374 WeakPolarHBondContact O-CG 3.34Å; A370-R374 PolarHBondContact O-N 3.3Å; S371-R374 PolarHBondContact O-N 3.12Å; N372-R374 VanDerWaalsContact C-N 3.35Å; N372-R374 PolarHBondContact O-N 2.77Å; R374-C377 PolarHBondContact O-N 3.34Å; R374-V378 WeakPolarHBondContact O-CG2 3.47Å; R374-V378 PolarHBondContact O-N 3.43Å
375A80Confident78.2Confident47 Ų4793 Ų9339%0.38852%0.515SS..Hα-helixtrans-63.3-42.7177.900000112.3S371 N372 V378 M379S371-A375 WeakPolarHBondContact O-CB 3.45Å; S371-A375 PolarHBondContact O-N 2.89Å; N372-A375 PolarHBondContact O-N 2.94Å; A375-V378 PolarHBondContact O-N 3.43Å; A375-M379 WeakPolarHBondContact O-CB 3.2Å; A375-M379 VanDerWaalsContact O-CG 3.23Å; A375-M379 WeakPolarHBondContact O-CG 3.27Å; A375-M379 PolarHBondContact O-N 2.84Å
376V81.4Confident78.2Confident99 Ų9990.2 Ų90.260%0.651%0.508SS*.Hα-helixtrans-64.8-40.4175.1169.40000111.3N372 M379 A380N372-V376 VanDerWaalsContact O-CB 3.29Å; N372-V376 WeakPolarHBondContact O-CB 3.46Å; N372-V376 VanDerWaalsContact O-CG2 3.23Å; N372-V376 WeakPolarHBondContact O-CG2 3.27Å; N372-V376 PolarHBondContact O-N 3.26Å; V376-M379 PolarHBondContact O-N 2.79Å; V376-A380 VanDerWaalsContact O-CB 3.28Å; V376-A380 WeakPolarHBondContact O-CB 3.42Å; V376-A380 PolarHBondContact O-N 2.9Å
377C79.3Confident78.3Confident84 Ų8495.4 Ų95.457%0.56852%0.522SS*.Hα-helixtrans-63.3-44.6172.7-70.70000112.2K373 R374 A380 V381K373-C377 WeakPolarHBondContact O-CB 3.28Å; K373-C377 PolarHBondContact O-N 3.17Å; K373-C377 PolarHBondContact O-SG 3.23Å; R374-C377 PolarHBondContact O-N 3.34Å; C377-A380 PolarHBondContact O-N 2.78Å; C377-V381 WeakPolarHBondContact O-CG2 3.41Å; C377-V381 PolarHBondContact O-N 3.25Å
378V87.1Confident78.4Confident91 Ų9195.6 Ų95.655%0.55252%0.523SS*.Hα-helixtrans-62.8-44.4176.6169.30000111R374 A375 A380 V381 L382R374-V378 WeakPolarHBondContact O-CG2 3.47Å; R374-V378 PolarHBondContact O-N 3.43Å; A375-V378 PolarHBondContact O-N 3.43Å; V378-A380 PolarHBondContact O-N 2.94Å; V378-V381 PolarHBondContact O-N 2.84Å; V378-L382 VanDerWaalsContact O-CB 3.24Å; V378-L382 WeakPolarHBondContact O-CB 3.24Å; V378-L382 PolarHBondContact O-N 3.31Å
379M84.4Confident78.2Confident117 Ų117100.9 Ų100.958%0.57654%0.543SS*.Hα-helixtrans-63.1-39.7175.6-73-66.8-70.200112.1A375 V376 L382 L383A375-M379 WeakPolarHBondContact O-CB 3.2Å; A375-M379 VanDerWaalsContact O-CG 3.23Å; A375-M379 WeakPolarHBondContact O-CG 3.27Å; A375-M379 PolarHBondContact O-N 2.84Å; V376-M379 PolarHBondContact O-N 2.79Å; M379-L382 PolarHBondContact O-N 2.85Å; M379-L383 WeakPolarHBondContact O-CB 3.46Å; M379-L383 VanDerWaalsContact O-CG 3.27Å; M379-L383 WeakPolarHBondContact O-CG 3.38Å; M379-L383 PolarHBondContact O-N 2.99Å
380A86.1Confident77.6Confident51 Ų51100 Ų10042%0.42154%0.542SS..Hα-helixtrans-66.2-41.417600000112.2V376 C377 V378 F384V376-A380 VanDerWaalsContact O-CB 3.28Å; V376-A380 WeakPolarHBondContact O-CB 3.42Å; V376-A380 PolarHBondContact O-N 2.9Å; C377-A380 PolarHBondContact O-N 2.78Å; V378-A380 PolarHBondContact O-N 2.94Å; A380-F384 PolarHBondContact O-N 3.45Å
381V89.3Confident77Confident89 Ų89103.5 Ų103.554%0.53956%0.561SS.*Hα-helixtrans-65.6-41.8173.7169.40000111.1C377 V378 F384 I385C377-V381 WeakPolarHBondContact O-CG2 3.41Å; C377-V381 PolarHBondContact O-N 3.25Å; V378-V381 PolarHBondContact O-N 2.84Å; V381-F384 WeakPolarHBondContact O-CB 3.37Å; V381-F384 PolarHBondContact O-N 2.9Å; V381-F384 VanDerWaalsContact O-N 3.15Å; V381-I385 HydrophobicContact CG1-CD1 3.86Å; V381-I385 HydrophobicContact CG1-CG1 4.48Å; V381-I385 WeakPolarHBondContact O-CG1 3.45Å; V381-I385 PolarHBondContact O-N 2.6Å
382L85.9Confident76.3Confident95 Ų95108 Ų10850%0.49759%0.586SS.*Hα-helixtrans-68.2-37.5179.9-160.7146.5000111.5V378 M379 I385 T386V378-L382 VanDerWaalsContact O-CB 3.24Å; V378-L382 WeakPolarHBondContact O-CB 3.24Å; V378-L382 PolarHBondContact O-N 3.31Å; M379-L382 PolarHBondContact O-N 2.85Å; L382-I385 PolarHBondContact O-N 2.93Å; L382-T386 HydrophobicContact CD2-CG2 4.26Å; L382-T386 WeakPolarHBondContact O-CG2 3.34Å; L382-T386 PolarHBondContact O-N 3.41Å; L382-T386 PolarHBondContact O-OG1 3.1Å
383L86.5Confident75.4Confident110 Ų110108.5 Ų108.558%0.57660%0.596SS**Hα-helixtrans-62.2-42.3167.4-75.5168.5000112.1M379 I385 T386 F387M379-L383 WeakPolarHBondContact O-CB 3.46Å; M379-L383 VanDerWaalsContact O-CG 3.27Å; M379-L383 WeakPolarHBondContact O-CG 3.38Å; M379-L383 PolarHBondContact O-N 2.99Å; L383-I385 VanDerWaalsContact C-N 3.32Å; L383-I385 PolarHBondContact O-N 3.19Å; L383-T386 WeakPolarHBondContact CA-OG1 3.43Å; L383-T386 PolarHBondContact O-N 3.33Å; L383-T386 PolarHBondContact O-OG1 3.4Å; L383-F387 VanDerWaalsContact O-CB 3.27Å; L383-F387 WeakPolarHBondContact O-CB 3.4Å; L383-F387 PolarHBondContact O-N 3.5Å
384F85Confident74.3Confident156 Ų156110 Ų11068%0.68461%0.609SS**Hα-helixtrans-61.4-41.1175.4-122.6-84.8000111.8A380 V381 F387 S388A380-F384 PolarHBondContact O-N 3.45Å; V381-F384 WeakPolarHBondContact O-CB 3.37Å; V381-F384 PolarHBondContact O-N 2.9Å; V381-F384 VanDerWaalsContact O-N 3.15Å; F384-F387 PolarHBondContact O-N 3.04Å; F384-S388 WeakPolarHBondContact O-CB 3.39Å; F384-S388 PolarHBondContact O-N 2.97Å; F384-S388 PolarHBondContact O-OG 3.12Å
385I83.7Confident73Confident90 Ų90107.2 Ų107.246%0.46261%0.614SS.*Hα-helixtrans-66-49.2176.4-70167.3000110.4V381 L382 L383 F387 S388 F389V381-I385 HydrophobicContact CG1-CD1 3.86Å; V381-I385 HydrophobicContact CG1-CG1 4.48Å; V381-I385 WeakPolarHBondContact O-CG1 3.45Å; V381-I385 PolarHBondContact O-N 2.6Å; L382-I385 PolarHBondContact O-N 2.93Å; L383-I385 VanDerWaalsContact C-N 3.32Å; L383-I385 PolarHBondContact O-N 3.19Å; I385-F387 VanDerWaalsContact C-N 3.26Å; I385-F387 PolarHBondContact O-N 3.09Å; I385-S388 PolarHBondContact O-N 3.19Å; I385-F389 HydrophobicContact CG2-CD2 3.91Å; I385-F389 HydrophobicContact CG2-CE2 4.47Å; I385-F389 WeakPolarHBondContact O-CB 3.43Å; I385-F389 WeakPolarHBondContact O-CD2 3.26Å; I385-F389 PolarHBondContact O-N 3.07Å
386T78.8Confident71Confident82 Ų82111.8 Ų111.850%0.50363%0.632SS.*Hα-helixtrans-65.9-27.3179.156.10000113.2L382 L383 G390L382-T386 HydrophobicContact CD2-CG2 4.26Å; L382-T386 WeakPolarHBondContact O-CG2 3.34Å; L382-T386 PolarHBondContact O-N 3.41Å; L382-T386 PolarHBondContact O-OG1 3.1Å; L383-T386 WeakPolarHBondContact CA-OG1 3.43Å; L383-T386 PolarHBondContact O-N 3.33Å; L383-T386 PolarHBondContact O-OG1 3.4Å; T386-G390 WeakPolarHBondContact O-CA 3.41Å; T386-G390 PolarHBondContact O-N 3.22Å
387F73.3Confident68.7Low183 Ų183118.7 Ų118.780%0.80365%0.647SS**Hα-helixtrans-82.2-27.9174.1-162.7-97000113.5L383 F384 I385L383-F387 VanDerWaalsContact O-CB 3.27Å; L383-F387 WeakPolarHBondContact O-CB 3.4Å; L383-F387 PolarHBondContact O-N 3.5Å; F384-F387 PolarHBondContact O-N 3.04Å; I385-F387 VanDerWaalsContact C-N 3.26Å; I385-F387 PolarHBondContact O-N 3.09Å
388S73.1Confident66.6Low75 Ų75123.6 Ų123.652%0.52466%0.659SS.*Hα-helixtrans-88.4-24.4179.3-53.50000113.7F384 I385F384-S388 WeakPolarHBondContact O-CB 3.39Å; F384-S388 PolarHBondContact O-N 2.97Å; F384-S388 PolarHBondContact O-OG 3.12Å; I385-S388 PolarHBondContact O-N 3.19Å
389F64.6Low63.8Low173 Ų173127 Ų12776%0.75967%0.673SS**Hα-helixtrans-113.3-2.9178.3-64.6-80.3000113.4I385I385-F389 HydrophobicContact CG2-CD2 3.91Å; I385-F389 HydrophobicContact CG2-CE2 4.47Å; I385-F389 WeakPolarHBondContact O-CB 3.43Å; I385-F389 WeakPolarHBondContact O-CD2 3.26Å; I385-F389 PolarHBondContact O-N 3.07Å
390G50.8Low61.3Low31 Ų31126.3 Ų126.332%0.3268%0.679SS.*SBendtrans-71134.5165.400000110.5T386 V392T386-G390 WeakPolarHBondContact O-CA 3.41Å; T386-G390 PolarHBondContact O-N 3.22Å; G390-V392 PolarHBondContact O-N 3.5Å
391P51.4Low58.6Low123 Ų123128.7 Ų128.780%0.79970%0.699SS**  trans-72.9114.4-171.627.8-34.3000112.2S393P391-S393 PolarHBondContact O-N 3.42Å
392V54.4Low55.7Low151 Ų151128.4 Ų128.492%0.91571%0.714SS**  trans-72.580.9165.9-176.60000108.9G390G390-V392 PolarHBondContact O-N 3.5Å
393S52.1Low53.1Low103 Ų103131.3 Ų131.372%0.7273%0.729SS**  trans-153.670.6173.9-164.30000112P391P391-S393 PolarHBondContact O-N 3.42Å
394I55.6Low50.5Low166 Ų166133 Ų13385%0.85173%0.734SS**  trans-134.168.7163.4-48.1-179000109.8
395T49.6Very low48.1Very low135 Ų135133 Ų13383%0.82874%0.736SS**SBendtrans-153130146.440.70000110.8
396D39.5Very low45.5Very low144 Ų144135 Ų13577%0.7775%0.748SS**  trans59103.9162.6-163.519.6000120.5
397R32.3Very low43.2Very low243 Ų243137.7 Ų137.792%0.91776%0.759SS**  trans-152.993.8140.6-104.6-77.4163.4149-4.8109.9
398K35.2Very low41.3Very low188 Ų188134.8 Ų134.882%0.81776%0.756SS**  trans-73.2122.5174.4172-173.3177.8-178.20112.4
399L29.3Very low39.3Very low162 Ų162136 Ų13685%0.84876%0.764SS**  trans-170.5132.2150.9-109.7166.9000115.2
400S30.4Very low37.8Very low102 Ų102138.6 Ų138.671%0.71377%0.77SS**  trans47104.6146.5-162.80000123.1
401A30.6Very low37Very low102 Ų102143.4 Ų143.484%0.84379%0.794SS**  42.7120.8127.800000122.5
402G27.2Very low36.1Very low82 Ų82141 Ų14185%0.84579%0.792SS**  trans-137.6148.7150.200000109
403L31.9Very low35.4Very low156 Ų156146.1 Ų146.182%0.81780%0.795SS**  trans-112.5141-161-179.870.4000114.2
404Q31Very low34.4Very low146 Ų146152.5 Ų152.568%0.68280%0.803SS**  trans147.3102.7157.4-82.6-77.4-83.900106.4
405E35.8Very low33.1Very low155 Ų155152.1 Ų152.172%0.72480%0.802SS**  66.3130.785.9-67.1-175.2157.600112.5
406D27.8Very low32.3Very low134 Ų134152.1 Ų152.172%0.71780%0.796SS**  cis-154.1166.224-167.718.9000115.2
407L31.1Very low31.7Very low138 Ų138153.3 Ų153.372%0.72380%0.797SS**  trans80121.1149-125.872.6000124.4
408V33.6Very low31.6Very low121 Ų121149.9 Ų149.973%0.73379%0.793SS**  trans71.8109.3159.1-154.60000121.4
409S32.1Very low31.4Very low101 Ų101149.1 Ų149.171%0.70679%0.793SS**  trans-89.7161.3164-47.90000113.5
410Y32.3Very low31.4Very low227 Ų227150.8 Ų150.889%0.8980%0.796SS**  trans-138.2159.5143.3-107.6-80.4000111.8
411T34.1Very low31.5Very low133 Ų133152.7 Ų152.782%0.81679%0.794SS**  trans-109.9149.2-15346.40000115.5
412G31.6Very low31.3Very low73 Ų73156.2 Ų156.275%0.75379%0.793SS**  trans-134.70.4-161.800000120.8
413R39.8Very low31.4Very low258 Ų258158.6 Ų158.697%0.97478%0.782SS**  trans72.5155.8171.7-52.4-179.4178-170.4-2.3118.6
414R31.6Very low31.1Very low236 Ų236161 Ų16189%0.89178%0.78SS**  trans-96.6162.2178.8-61.5170.3164.9-179.7-6.9111.6
415L29Very low31.1Very low158 Ų158161.5 Ų161.583%0.82778%0.783SS**  -162.3163.9113.3-131.469.8000114.3
416L31.8Very low30.6Very low135 Ų135158.8 Ų158.871%0.70779%0.787SS**  trans-39.4149.1177.1-60.9165.3000115.5
417E28.1Very low30.5Very low169 Ų169159.4 Ų159.479%0.7979%0.79SS**  cis79117.943.7-175.1177.4-153.700114.4
418M30.3Very low31.1Very low172 Ų172158.1 Ų158.185%0.84779%0.79SS**  trans164.4108.7163.3-93.4178.182.200104.7
419E30.6Very low30.8Very low171 Ų171160.2 Ų160.280%0.79979%0.792SS**  62.210364.6-165-176-169.500114.2
420Q29.7Very low31.1Very low198 Ų198160.4 Ų160.493%0.92579%0.79SS**  trans-156.7149.5131.1-158161.820.700111.1
421Q30.9Very low31Very low142 Ų142156.5 Ų156.566%0.66478%0.784SS**  trans-132.6138.6-169.6166.8-174.6-20.200110.6
422Q27.5Very low30.7Very low175 Ų175157.5 Ų157.582%0.81878%0.78SS**  trans-159.6149.5157.8-151.3718400111.5
423E29.6Very low30.4Very low132 Ų132162.5 Ų162.562%0.61778%0.781SS**  trans-118.7169.3-166.4-47.6126.586.800114.5
424R26Very low29.9Very low206 Ų206154.6 Ų154.678%0.77776%0.761SS**  155.7121.3126.2-74.3-108.3-80.6169.5-6.6110.3
425Q29.2Very low29.8Very low158 Ų158151 Ų15174%0.73875%0.754SS**  67.9135.877-83.5-174.5-14.300114.2
426A25.7Very low29.7Very low98 Ų98150.7 Ų150.781%0.8175%0.753SS**  cis-156.51793.900000113.8
427D25.6Very low29.6Very low146 Ų146153 Ų15378%0.78176%0.758SS**  trans-85-169.6179.9-145.932.7000111.7
428P43.8Very low30.5Very low112 Ų112149.4 Ų149.473%0.72775%0.749SS**  cis-145.5-179.611.244.4-22.5000120.8
429Q28.1Very low30.2Very low164 Ų164150 Ų15077%0.76675%0.75SS**  trans-68.9164.9167-84-89.6-12.800114.9
430P38.8Very low30Very low105 Ų105149.2 Ų149.268%0.68274%0.744SS**  -160.5143.7101.338.3-17.5000120.7
431L28.4Very low30.5Very low146 Ų146145.9 Ų145.976%0.76474%0.739SS**  trans60161131.8-56.3170.9000120.8
432Q28Very low30.3Very low153 Ų153146.4 Ų146.472%0.71574%0.742SS**  cis-164.8151.32.9-133.7167.117.800114.1
433K25.1Very low30.2Very low179 Ų179144 Ų14478%0.77874%0.744SS**  trans56.1158.6142.8-92.4-158.4167.3-155.30122.3
434V30Very low30.1Very low91 Ų91141.2 Ų141.255%0.55275%0.751SS**  cis-167.1157.3-16.686.20000112.3
435E29.7Very low30.2Very low161 Ų161135.1 Ų135.175%0.75275%0.752SS**  trans44.4161.5158.4-68.9150.2131.500121
436D26.1Very low30.2Very low152 Ų152135 Ų13581%0.81376%0.757SS**  cis-149.7-171.45.5-150.4-18000113.1
437K30.8Very low30.4Very low183 Ų183138 Ų13880%0.79675%0.754SS**  trans-99.2-167179.1-129.2-172.5156.6-166.50111.1
438P45.8Very low30.4Very low93 Ų93141.5 Ų141.560%0.60476%0.756SS**  cis-137.3-166-18.929.1-3.8000115.5
439E24.6Very low29.5Very low186 Ų186147.1 Ų147.187%0.86976%0.763SS**  trans115.4157.4145-52.3-135.314200120.6
440K27Very low29.5Very low154 Ų154149.3 Ų149.367%0.6777%0.77SS**  trans-155.5148.7-166.6-171.2-161-173.4-169.80108.4E442K440-E442 HydrophobicContact CD-CG 4.38Å; K440-E442 WeakPolarHBondContact CE-OE1 3.1Å; K440-E442 IonicContact NZ-OE1 2.8Å; K440-E442 PolarHBondContact NZ-OE1 3.37Å
441P40.1Very low29Very low128 Ų128148 Ų14883%0.83178%0.775SS**  -140.6-164.1128.236.3-21000113.8
442E25.7Very low29Very low153 Ų153144.1 Ų144.172%0.71577%0.771SS**  trans-134.8-166.9-159.9-53.5-176.915100113.3K440K440-E442 HydrophobicContact CD-CG 4.38Å; K440-E442 WeakPolarHBondContact CE-OE1 3.1Å; K440-E442 IonicContact NZ-OE1 2.8Å; K440-E442 PolarHBondContact NZ-OE1 3.37Å
443S26.1Very low29Very low124 Ų124146.2 Ų146.287%0.86778%0.78SS**  trans84.1139.7177.9-156.40000116
444G27.4Very low29.2Very low74 Ų74142 Ų14276%0.76378%0.779SS**  cis148.2136-700000112.9
445G27.3Very low29.1Very low78 Ų78145.4 Ų145.480%0.80479%0.789SS**  trans138121.7169.600000116.9
446D29.9Very low29.1Very low155 Ų155149.4 Ų149.483%0.82980%0.797SS**  trans-56.5159-179.6-49.1-63000115.5
447E30.6Very low29.2Very low161 Ų161152.3 Ų152.375%0.75280%0.798SS**  -176.3171.468.3-118.8-66155.400112.9
448R25.8Very low29.1Very low220 Ų220147.7 Ų147.783%0.8379%0.794SS**  trans83.574.1147.8-146.3171.8-166.2173.84.8122.6
449W25.2Very low28.7Very low230 Ų230149.1 Ų149.187%0.87180%0.803SS**  trans28.5110130-66.687.1000120.7
450K27.7Very low28.7Very low210 Ų210147.4 Ų147.491%0.91380%0.795SS**  -167.5118.9112.9-120.2-171.7176.7-172.30114.9
451G28.7Very low28.7Very low76 Ų76145.7 Ų145.778%0.78480%0.802SS**  trans35.294.9151.600000121.2
452G27.7Very low28.1Very low66 Ų66149.1 Ų149.168%0.6880%0.8SS**  trans-71.9-172.4137.300000110.8
453E28.2Very low28.3Very low196 Ų196151.1 Ų151.192%0.91681%0.81SS**  cis-173.4165.90.6-118.9163.2-117.700106.2
454A29.2Very low28.2Very low90 Ų90155 Ų15574%0.74481%0.811SS**  cis-149.4-179.22.100000109.9
455E28.5Very low28.5Very low163 Ų163162.6 Ų162.676%0.76282%0.817SS**  trans-64163.9-179.5-49.5-178.5122.200115.5
456R29.3Very low28.8Very low245 Ų245165.5 Ų165.593%0.92581%0.814SS**  -156133.4129.2-126.4174.5-66173.91.7113.8
457Y27.7Very low29.3Very low214 Ų214165.3 Ų165.384%0.83981%0.812SS**  trans-72151.9171.2-100.8-108.8000112.7
458A28.4Very low29.6Very low85 Ų85161.4 Ų161.470%0.70280%0.803SS**  trans-96.2-177.8162.400000109.4
459P37.9Very low30.2Very low123 Ų123157.5 Ų157.580%0.79980%0.799SS**  cis-113-166.52.644.6-31.8000112.1
460E24Very low30.9Very low150 Ų150154.5 Ų154.570%0.70180%0.796SS**  cis-131.8173.23.1-53.7-177.8106.700111.9
461S26.9Very low31.3Very low118 Ų118152.5 Ų152.583%0.82579%0.788SS**  trans-154.2145.5137.956.60000111.4
462Y27.9Very low32.1Very low200 Ų200151.9 Ų151.978%0.78477%0.771SS**  trans-79.9138.4-177.2-84.8-118.2000111.9
463Q30Very low32.8Very low195 Ų195154.6 Ų154.691%0.91177%0.77SS**  trans-67.2140.5170.6-74-176-21.400111.8
464F24Very low33.6Very low206 Ų206152.2 Ų152.290%0.90476%0.761SS**  trans-117.4129.7164.2-136.3-91.4000108.7
465R33.4Very low34.5Very low233 Ų233154.5 Ų154.588%0.87975%0.754SS**  trans-71137.1179.7-84.1-173.5171.1-170.3-3.2111
466N34.3Very low35.4Very low139 Ų139151.4 Ų151.474%0.74374%0.743SS**  trans-75.4145169.3-164.2-11.1000109.8S468N466-S468 WeakPolarHBondContact OD1-CB 3.45Å; N466-S468 PolarHBondContact OD1-N 3.19Å; N466-S468 VanDerWaalsContact OD1-N 3.17Å
467L40.8Very low36.3Very low151 Ų151145.9 Ų145.979%0.79173%0.731SS**  trans-124.818.4-178.3-89169.7000112.5
468S36.1Very low37.5Very low80 Ų80139.6 Ų139.656%0.55971%0.714SS**  trans-77.8-22.5-172.7-162.20000115.6N466 M470N466-S468 WeakPolarHBondContact OD1-CB 3.45Å; N466-S468 PolarHBondContact OD1-N 3.19Å; N466-S468 VanDerWaalsContact OD1-N 3.17Å; S468-M470 PolarHBondContact O-N 3Å
469D38.1Very low38.7Very low138 Ų138139.8 Ų139.874%0.73870%0.703SS**G310 helixtrans-72.1-31.8-167.9-68.5-22.3000114F471 S472D469-F471 PolarHBondContact O-N 3.2Å; D469-S472 PolarHBondContact O-N 3.25Å
470M39.8Very low39.3Very low167 Ų167137.3 Ų137.382%0.82369%0.687SS**G310 helixtrans-744.6-174-66.9-143.773.900115.4S468S468-M470 PolarHBondContact O-N 3Å
471F36.6Very low40.5Very low168 Ų168134.1 Ų134.174%0.73768%0.675SS**G310 helixtrans-115.80.5179.5-81.2-79.9000114.5D469D469-F471 PolarHBondContact O-N 3.2Å
472S45.6Very low41.9Very low62 Ų62132.2 Ų132.243%0.43466%0.655SS.*THydrogen-bonded Turntrans-75.6-51.3176.5-151.10000111.7D469 M474 K475 D476D469-S472 PolarHBondContact O-N 3.25Å; S472-M474 VanDerWaalsContact C-N 3.3Å; S472-M474 PolarHBondContact O-N 3.28Å; S472-M474 VanDerWaalsContact O-N 3.16Å; S472-K475 WeakPolarHBondContact O-CA 3.31Å; S472-K475 WeakPolarHBondContact O-CB 3.32Å; S472-K475 PolarHBondContact O-N 3.01Å; S472-D476 PolarHBondContact O-N 3.24Å
473D41.7Very low42.9Very low123 Ų123129.2 Ų129.266%0.65865%0.648SS**Hα-helixtrans-59.7-33.5-170.1-56.8-1.8000114.2K475 L477D473-K475 VanDerWaalsContact C-N 3.27Å; D473-K475 PolarHBondContact O-N 3.45Å; D473-L477 WeakPolarHBondContact O-CG 3.48Å; D473-L477 PolarHBondContact O-N 3.05Å
474M45.3Very low43.8Very low147 Ų147128.1 Ų128.172%0.72464%0.635SS**Hα-helixtrans-70.5-21.7174.9-84.5-164.9174.300113.6S472 V478S472-M474 VanDerWaalsContact C-N 3.3Å; S472-M474 PolarHBondContact O-N 3.28Å; S472-M474 VanDerWaalsContact O-N 3.16Å; M474-V478 VanDerWaalsContact O-CG2 3.27Å; M474-V478 WeakPolarHBondContact O-CG2 3.38Å
475K48.7Very low44.9Very low138 Ų138126.5 Ų126.560%0.662%0.624SS**Hα-helixtrans-78.5-42.4-178.1-163.8-173.4174.8-157.60111S472 D473 L477 V478 L479S472-K475 WeakPolarHBondContact O-CA 3.31Å; S472-K475 WeakPolarHBondContact O-CB 3.32Å; S472-K475 PolarHBondContact O-N 3.01Å; D473-K475 VanDerWaalsContact C-N 3.27Å; D473-K475 PolarHBondContact O-N 3.45Å; K475-L477 VanDerWaalsContact C-N 3.33Å; K475-V478 PolarHBondContact O-N 3.43Å; K475-L479 HydrophobicContact CG-CD1 4.49Å; K475-L479 PolarHBondContact O-N 2.74Å
476D47.9Very low45.7Very low98 Ų98123.4 Ų123.452%0.52462%0.618SS.*Hα-helixtrans-80.3-14.3-177.6-62.5-17.7000112.9S472 P480S472-D476 PolarHBondContact O-N 3.24Å; D476-P480 WeakPolarHBondContact O-CD 3.48Å; D476-P480 VanDerWaalsContact O-CG 3.26Å; D476-P480 WeakPolarHBondContact O-CG 3.41Å
477L46.9Very low46.4Very low128 Ų128122.2 Ų122.267%0.6762%0.616SS**Hα-helixtrans-80.4-25.8167.2-72.9170.1000113.4D473 K475D473-L477 WeakPolarHBondContact O-CG 3.48Å; D473-L477 PolarHBondContact O-N 3.05Å; K475-L477 VanDerWaalsContact C-N 3.33Å
478V54.3Low46.6Very low82 Ų82119.6 Ų119.650%0.49761%0.61SS.*Hα-helixtrans-91.5-30.2-174.9169.70000112.5M474 K475 I482M474-V478 VanDerWaalsContact O-CG2 3.27Å; M474-V478 WeakPolarHBondContact O-CG2 3.38Å; K475-V478 PolarHBondContact O-N 3.43Å; V478-I482 HydrophobicContact CG1-CD1 3.64Å; V478-I482 HydrophobicContact CG1-CG1 4.37Å; V478-I482 VanDerWaalsContact O-CG1 3.29Å; V478-I482 WeakPolarHBondContact O-CG1 3.5Å; V478-I482 PolarHBondContact O-N 2.88Å
479L52.7Low46.8Very low89 Ų89118.8 Ų118.847%0.46660%0.604SS.*Hα-helixtrans-63.1-47.4177.7-75164.3000113.9K475 D481 I482 E483K475-L479 HydrophobicContact CG-CD1 4.49Å; K475-L479 PolarHBondContact O-N 2.74Å; L479-D481 PolarHBondContact O-N 2.79Å; L479-I482 PolarHBondContact O-N 2.74Å; L479-E483 PolarHBondContact O-N 3.18Å
480P51.2Low47.2Very low72 Ų72118.7 Ų118.747%0.46860%0.604SS.*Hα-helixtrans-64.5-37.7-177.1-23.334.9000113.6D476 E483 R484D476-P480 WeakPolarHBondContact O-CD 3.48Å; D476-P480 VanDerWaalsContact O-CG 3.26Å; D476-P480 WeakPolarHBondContact O-CG 3.41Å; P480-E483 PolarHBondContact O-N 2.69Å; P480-R484 PolarHBondContact O-N 2.8Å
481D48.8Very low47.4Very low83 Ų83115.1 Ų115.144%0.44459%0.594SS.*Hα-helixtrans-68.4-38.8176.6-86.3-11.4000111.4L479 R484 Y485L479-D481 PolarHBondContact O-N 2.79Å; D481-R484 VanDerWaalsContact O-CB 3.28Å; D481-R484 WeakPolarHBondContact O-CB 3.28Å; D481-R484 PolarHBondContact O-N 3.43Å; D481-R484 VanDerWaalsContact O-N 3.16Å; D481-Y485 WeakPolarHBondContact O-CD2 3.46Å; D481-Y485 PolarHBondContact O-N 3.1Å
482I56.4Low48Very low77 Ų77117.7 Ų117.740%0.39560%0.599SS.*Hα-helixtrans-61.6-45.5174.5-71.7172.1000111.1V478 L479 R484 Y485 F486V478-I482 HydrophobicContact CG1-CD1 3.64Å; V478-I482 HydrophobicContact CG1-CG1 4.37Å; V478-I482 VanDerWaalsContact O-CG1 3.29Å; V478-I482 WeakPolarHBondContact O-CG1 3.5Å; V478-I482 PolarHBondContact O-N 2.88Å; L479-I482 PolarHBondContact O-N 2.74Å; I482-R484 VanDerWaalsContact C-N 3.26Å; I482-R484 PolarHBondContact O-N 3.01Å; I482-Y485 PolarHBondContact O-N 3.36Å; I482-F486 HydrophobicContact CG2-CD2 3.78Å; I482-F486 HydrophobicContact CG2-CE2 3.67Å; I482-F486 VanDerWaalsContact O-CD2 3.3Å; I482-F486 WeakPolarHBondContact O-CD2 3.35Å; I482-F486 PolarHBondContact O-N 3.33Å
483E48.7Very low48.7Very low137 Ų137123.8 Ų123.864%0.6462%0.621SS**Hα-helixtrans-62.1-34.8174.7-68.6-164.413900112.2L479 P480 F486 T487L479-E483 PolarHBondContact O-N 3.18Å; P480-E483 PolarHBondContact O-N 2.69Å; E483-F486 PolarHBondContact O-N 3.03Å; E483-T487 WeakPolarHBondContact O-CB 3.48Å; E483-T487 PolarHBondContact O-N 3Å; E483-T487 PolarHBondContact O-OG1 2.92Å
484R48.6Very low49.4Very low173 Ų173126 Ų12665%0.65363%0.625SS**Hα-helixtrans-62.6-42.8173.2-125.8175.7-170.4155.34.4112.5P480 D481 I482 T487 S488P480-R484 PolarHBondContact O-N 2.8Å; D481-R484 VanDerWaalsContact O-CB 3.28Å; D481-R484 WeakPolarHBondContact O-CB 3.28Å; D481-R484 PolarHBondContact O-N 3.43Å; D481-R484 VanDerWaalsContact O-N 3.16Å; I482-R484 VanDerWaalsContact C-N 3.26Å; I482-R484 PolarHBondContact O-N 3.01Å; R484-T487 PolarHBondContact O-N 3.47Å; R484-S488 VanDerWaalsContact O-CB 3.25Å; R484-S488 WeakPolarHBondContact O-CB 3.43Å; R484-S488 PolarHBondContact O-N 3.38Å; R484-S488 PolarHBondContact O-OG 2.95Å
485Y46.8Very low50.7Low171 Ų171123.4 Ų123.467%0.67161%0.614SS**Hα-helixtrans-66.4-39.3176.6-76.1-64.5000112.5D481 I482 S489D481-Y485 WeakPolarHBondContact O-CD2 3.46Å; D481-Y485 PolarHBondContact O-N 3.1Å; I482-Y485 PolarHBondContact O-N 3.36Å; Y485-S489 PolarHBondContact O-N 3.07Å; Y485-S489 PolarHBondContact O-OG 2.67Å
486F50.3Low51.9Low168 Ų168126.5 Ų126.574%0.73762%0.622SS**Hα-helixtrans-68.5-32.3173.9-79-66.7000113.3I482 E483I482-F486 HydrophobicContact CG2-CD2 3.78Å; I482-F486 HydrophobicContact CG2-CE2 3.67Å; I482-F486 VanDerWaalsContact O-CD2 3.3Å; I482-F486 WeakPolarHBondContact O-CD2 3.35Å; I482-F486 PolarHBondContact O-N 3.33Å; E483-F486 PolarHBondContact O-N 3.03Å
487T49.7Very low53.2Low115 Ų115126.1 Ų126.171%0.70663%0.626SS**Hα-helixtrans-81.9-26.5179.5-51.60000112.8E483 R484E483-T487 WeakPolarHBondContact O-CB 3.48Å; E483-T487 PolarHBondContact O-N 3Å; E483-T487 PolarHBondContact O-OG1 2.92Å; R484-T487 PolarHBondContact O-N 3.47Å
488S45.1Very low54.5Low95 Ų95123.8 Ų123.866%0.66461%0.612SS**SBendtrans-92.9-2.4-176.8-49.50000114.4R484R484-S488 VanDerWaalsContact O-CB 3.25Å; R484-S488 WeakPolarHBondContact O-CB 3.43Å; R484-S488 PolarHBondContact O-N 3.38Å; R484-S488 PolarHBondContact O-OG 2.95Å
489S39.9Very low55.9Low64 Ų64122 Ų12245%0.44860%0.603SS.*SBendtrans-97.8118.9179.6-59.20000110.1Y485 C491Y485-S489 PolarHBondContact O-N 3.07Å; Y485-S489 PolarHBondContact O-OG 2.67Å; S489-C491 PolarHBondContact O-N 3.02Å
490D46.3Very low57.2Low136 Ų136122.6 Ų122.673%0.72761%0.607SS**  trans-75.151-179.7-161-2.5000112.4R492D490-R492 VanDerWaalsContact C-N 3.34Å; D490-R492 PolarHBondContact O-N 3.06Å; D490-R492 IonicContact OD1-NE 3.91Å
491C43.8Very low59.1Low91 Ų91124.8 Ų124.862%0.61561%0.605SS**  trans-83.971.2-174.7-73.70000111S489 Q493 F494S489-C491 PolarHBondContact O-N 3.02Å; C491-Q493 PolarHBondContact O-N 2.96Å; C491-F494 PolarHBondContact O-N 3.34Å
492R50Low60.9Low223 Ų223124.8 Ų124.884%0.84261%0.605SS**THydrogen-bonded Turntrans-60.719.3179-68.8-177.9165.6-115.8-1116.5D490D490-R492 VanDerWaalsContact C-N 3.34Å; D490-R492 PolarHBondContact O-N 3.06Å; D490-R492 IonicContact OD1-NE 3.91Å
493Q60.3Low62.5Low190 Ų190122.6 Ų122.689%0.88860%0.599SS**THydrogen-bonded Turntrans-134.64.2-173.2-71.8-178.7-19.500114.8C491C491-Q493 PolarHBondContact O-N 2.96Å
494F55.4Low64.3Low169 Ų169120.1 Ų120.174%0.74159%0.589SS**  trans-103117.1167.5-106.6-90.9000111.5C491 R496C491-F494 PolarHBondContact O-N 3.34Å; F494-R496 PolarHBondContact O-N 3.31Å
495N72.3Confident66.3Low92 Ų92116.3 Ų116.349%0.49258%0.579SS.*  trans-70.2110.2170.9-179.2-32.8000108.7S497 E498 S499N495-S497 PolarHBondContact O-N 2.88Å; N495-S497 VanDerWaalsContact OD1-CB 3.29Å; N495-S497 WeakPolarHBondContact OD1-CB 3.46Å; N495-S497 PolarHBondContact OD1-N 3.41Å; N495-E498 HydrophobicContact CB-CB 4.11Å; N495-E498 HydrophobicContact CB-CG 4.09Å; N495-E498 PolarHBondContact O-N 2.81Å; N495-E498 PolarHBondContact OD1-N 3.28Å; N495-S499 PolarHBondContact O-N 2.89Å
496R73.8Confident68.4Low204 Ų204113.5 Ų113.577%0.7758%0.575SS**Hα-helixtrans-58-37.3-176.5-168.4172.8-178160.61.3111.9F494 S499 L500F494-R496 PolarHBondContact O-N 3.31Å; R496-S499 WeakPolarHBondContact CA-OG 3.33Å; R496-S499 PolarHBondContact O-N 3.1Å; R496-S499 PolarHBondContact O-OG 3.4Å; R496-L500 PolarHBondContact O-N 3.34Å
497S77.1Confident70.2Confident89 Ų89111.9 Ų111.962%0.62256%0.564SS**Hα-helixtrans-66.4-46.9178.7-440000112.1N495 S499 L500 R501N495-S497 PolarHBondContact O-N 2.88Å; N495-S497 VanDerWaalsContact OD1-CB 3.29Å; N495-S497 WeakPolarHBondContact OD1-CB 3.46Å; N495-S497 PolarHBondContact OD1-N 3.41Å; S497-S499 VanDerWaalsContact C-N 3.32Å; S497-S499 PolarHBondContact O-N 3.33Å; S497-L500 PolarHBondContact O-N 2.89Å; S497-R501 PolarHBondContact O-N 2.98Å
498E73.4Confident72Confident79 Ų79107.6 Ų107.637%0.36954%0.543SS..Hα-helixtrans-61.6-40.7173.8-72.4-63.112100111.4N495 L500 R501 L502N495-E498 HydrophobicContact CB-CB 4.11Å; N495-E498 HydrophobicContact CB-CG 4.09Å; N495-E498 PolarHBondContact O-N 2.81Å; N495-E498 PolarHBondContact OD1-N 3.28Å; E498-L500 VanDerWaalsContact C-N 3.28Å; E498-L500 PolarHBondContact O-N 3.09Å; E498-R501 VanDerWaalsContact CD-NH1 3.29Å; E498-R501 PolarHBondContact O-N 2.97Å; E498-R501 IonicContact OE1-CZ 3.21Å; E498-R501 IonicContact OE1-NH1 3.63Å; E498-R501 PolarHBondContact OE1-NH1 3.32Å; E498-R501 IonicContact OE1-NH2 2.74Å; E498-R501 IonicContact OE2-CZ 3.82Å; E498-R501 IonicContact OE2-NH1 3.35Å; E498-R501 PolarHBondContact OE2-NH1 2.92Å; E498-R501 IonicContact OE2-NH2 2.88Å; E498-R501 PolarHBondContact OE2-NH2 3.32Å; E498-L502 WeakPolarHBondContact O-CB 3.4Å; E498-L502 VanDerWaalsContact O-CG 3.29Å; E498-L502 WeakPolarHBondContact O-CG 3.18Å; E498-L502 PolarHBondContact O-N 2.83Å
499S83.4Confident73.9Confident44 Ų44110.3 Ų110.331%0.30854%0.538SS..Hα-helixtrans-63.3-34177.9780000112.8N495 R496 S497 A503N495-S499 PolarHBondContact O-N 2.89Å; R496-S499 WeakPolarHBondContact CA-OG 3.33Å; R496-S499 PolarHBondContact O-N 3.1Å; R496-S499 PolarHBondContact O-OG 3.4Å; S497-S499 VanDerWaalsContact C-N 3.32Å; S497-S499 PolarHBondContact O-N 3.33Å; S499-A503 WeakPolarHBondContact O-CB 3.4Å; S499-A503 PolarHBondContact O-N 3.33Å; S499-A503 VanDerWaalsContact O-N 3.12Å
500L80.8Confident76.3Confident103 Ų103111.1 Ų111.154%0.53954%0.541SS..Hα-helixtrans-69.7-48.9173.4-123.779.9000111.2R496 S497 E498 L502 A503 D504R496-L500 PolarHBondContact O-N 3.34Å; S497-L500 PolarHBondContact O-N 2.89Å; E498-L500 VanDerWaalsContact C-N 3.28Å; E498-L500 PolarHBondContact O-N 3.09Å; L500-L502 VanDerWaalsContact C-N 3.33Å; L500-L502 PolarHBondContact O-N 3.17Å; L500-A503 WeakPolarHBondContact O-CA 3.37Å; L500-A503 WeakPolarHBondContact O-CB 2.81Å; L500-A503 PolarHBondContact O-N 2.97Å; L500-D504 PolarHBondContact O-N 3.44Å
501R89.9Confident78Confident118 Ų118110.2 Ų110.245%0.44553%0.532SS..Hα-helixtrans-60.6-43.3179.8-161.7-171.871.6-113-17.7111.5S497 E498 A503 D504 E505S497-R501 PolarHBondContact O-N 2.98Å; E498-R501 VanDerWaalsContact CD-NH1 3.29Å; E498-R501 PolarHBondContact O-N 2.97Å; E498-R501 IonicContact OE1-CZ 3.21Å; E498-R501 IonicContact OE1-NH1 3.63Å; E498-R501 PolarHBondContact OE1-NH1 3.32Å; E498-R501 IonicContact OE1-NH2 2.74Å; E498-R501 IonicContact OE2-CZ 3.82Å; E498-R501 IonicContact OE2-NH1 3.35Å; E498-R501 PolarHBondContact OE2-NH1 2.92Å; E498-R501 IonicContact OE2-NH2 2.88Å; E498-R501 PolarHBondContact OE2-NH2 3.32Å; R501-A503 VanDerWaalsContact C-N 3.31Å; R501-A503 PolarHBondContact O-N 2.94Å; R501-D504 PolarHBondContact O-N 2.88Å; R501-E505 IonicContact CZ-OE1 2.78Å; R501-E505 IonicContact NE-OE1 3.72Å; R501-E505 PolarHBondContact NE-OE1 2.97Å; R501-E505 IonicContact NH2-OE1 3.55Å; R501-E505 WeakPolarHBondContact O-CB 3.44Å; R501-E505 WeakPolarHBondContact O-CG 3.35Å; R501-E505 PolarHBondContact O-N 3.45Å
502L87.4Confident80.1Confident82 Ų82113.7 Ų113.743%0.42953%0.532SS..Hα-helixtrans-60.1-39.3173.8-73.2167.1000112.1E498 L500 L506E498-L502 WeakPolarHBondContact O-CB 3.4Å; E498-L502 VanDerWaalsContact O-CG 3.29Å; E498-L502 WeakPolarHBondContact O-CG 3.18Å; E498-L502 PolarHBondContact O-N 2.83Å; L500-L502 VanDerWaalsContact C-N 3.33Å; L500-L502 PolarHBondContact O-N 3.17Å; L502-L506 WeakPolarHBondContact O-CB 3.32Å; L502-L506 WeakPolarHBondContact O-CD1 3.42Å; L502-L506 WeakPolarHBondContact O-CG 3.4Å; L502-L506 PolarHBondContact O-N 2.94Å
503A89.4Confident81.2Confident32 Ų32107.5 Ų107.526%0.26451%0.513SS..Hα-helixtrans-65.9-37.9175.700000112.4S499 L500 R501 R507S499-A503 WeakPolarHBondContact O-CB 3.4Å; S499-A503 PolarHBondContact O-N 3.33Å; S499-A503 VanDerWaalsContact O-N 3.12Å; L500-A503 WeakPolarHBondContact O-CA 3.37Å; L500-A503 WeakPolarHBondContact O-CB 2.81Å; L500-A503 PolarHBondContact O-N 2.97Å; R501-A503 VanDerWaalsContact C-N 3.31Å; R501-A503 PolarHBondContact O-N 2.94Å; A503-R507 WeakPolarHBondContact O-CB 3.2Å; A503-R507 VanDerWaalsContact O-CG 3.3Å; A503-R507 WeakPolarHBondContact O-CG 3.49Å; A503-R507 PolarHBondContact O-N 3.34Å
504D86.8Confident82.3Confident84 Ų84103.1 Ų103.145%0.44949%0.492SS..Hα-helixtrans-72.6-38.9174.2-81.3-55000113.6L500 R501 L506 R507 G508L500-D504 PolarHBondContact O-N 3.44Å; R501-D504 PolarHBondContact O-N 2.88Å; D504-L506 VanDerWaalsContact C-N 3.3Å; D504-L506 PolarHBondContact O-N 3.11Å; D504-R507 PolarHBondContact O-N 3.38Å; D504-R507 IonicContact OD1-CZ 3.09Å; D504-R507 IonicContact OD1-NE 3.6Å; D504-R507 PolarHBondContact OD1-NE 3.34Å; D504-R507 IonicContact OD1-NH2 2.65Å; D504-R507 PolarHBondContact OD1-NH2 3.37Å; D504-R507 IonicContact OD2-CZ 2.6Å; D504-R507 IonicContact OD2-NH2 2.76Å; D504-R507 PolarHBondContact OD2-NH2 2.87Å; D504-G508 PolarHBondContact O-N 2.95Å
505E91.6Very high83.2Confident94 Ų9499 Ų9944%0.43948%0.477SS..Hα-helixtrans-58.8-43.5171.5-75.4178.5-136.200110.9R501 G508 W509R501-E505 IonicContact CZ-OE1 2.78Å; R501-E505 IonicContact NE-OE1 3.72Å; R501-E505 PolarHBondContact NE-OE1 2.97Å; R501-E505 IonicContact NH2-OE1 3.55Å; R501-E505 WeakPolarHBondContact O-CB 3.44Å; R501-E505 WeakPolarHBondContact O-CG 3.35Å; R501-E505 PolarHBondContact O-N 3.45Å; E505-G508 PolarHBondContact O-N 2.88Å; E505-W509 VanDerWaalsContact O-CB 3.3Å; E505-W509 WeakPolarHBondContact O-CB 3.35Å; E505-W509 PolarHBondContact O-N 2.89Å
506L89.1Confident83.1Confident111 Ų11199.3 Ų99.358%0.58148%0.478SS*.Hα-helixtrans-66.4-43.1174.8-73.1168.9000112.5L502 D504 G508 W509 V510L502-L506 WeakPolarHBondContact O-CB 3.32Å; L502-L506 WeakPolarHBondContact O-CD1 3.42Å; L502-L506 WeakPolarHBondContact O-CG 3.4Å; L502-L506 PolarHBondContact O-N 2.94Å; D504-L506 VanDerWaalsContact C-N 3.3Å; D504-L506 PolarHBondContact O-N 3.11Å; L506-G508 PolarHBondContact O-N 3.25Å; L506-W509 PolarHBondContact O-N 3.39Å; L506-V510 WeakPolarHBondContact O-CG2 3.47Å; L506-V510 PolarHBondContact O-N 2.66Å
507R88.1Confident82.9Confident135 Ų13597.8 Ų97.851%0.50947%0.473SS..Hα-helixtrans-56.8-49.4172.4-78.9-177.2-77.9-96.512.3110.8A503 D504 W509 V510 H511A503-R507 WeakPolarHBondContact O-CB 3.2Å; A503-R507 VanDerWaalsContact O-CG 3.3Å; A503-R507 WeakPolarHBondContact O-CG 3.49Å; A503-R507 PolarHBondContact O-N 3.34Å; D504-R507 PolarHBondContact O-N 3.38Å; D504-R507 IonicContact OD1-CZ 3.09Å; D504-R507 IonicContact OD1-NE 3.6Å; D504-R507 PolarHBondContact OD1-NE 3.34Å; D504-R507 IonicContact OD1-NH2 2.65Å; D504-R507 PolarHBondContact OD1-NH2 3.37Å; D504-R507 IonicContact OD2-CZ 2.6Å; D504-R507 IonicContact OD2-NH2 2.76Å; D504-R507 PolarHBondContact OD2-NH2 2.87Å; R507-W509 VanDerWaalsContact C-N 3.34Å; R507-W509 PolarHBondContact O-N 3.17Å; R507-V510 PolarHBondContact O-N 2.89Å; R507-H511 WeakPolarHBondContact O-CB 3.2Å; R507-H511 PolarHBondContact O-N 3.41Å
508G87.7Confident82.5Confident25 Ų25100.4 Ų100.426%0.25847%0.473SS..Hα-helixtrans-66.1-31.1177.500000113.6D504 E505 L506 R512D504-G508 PolarHBondContact O-N 2.95Å; E505-G508 PolarHBondContact O-N 2.88Å; L506-G508 PolarHBondContact O-N 3.25Å; G508-R512 WeakPolarHBondContact O-CB 3.36Å; G508-R512 WeakPolarHBondContact O-CG 3.47Å; G508-R512 PolarHBondContact O-N 3.28Å; G508-R512 PolarHBondContact O-NE 3.37Å
509W84.5Confident82Confident151 Ų151105 Ų10557%0.57249%0.492SS*.Hα-helixtrans-69.6-48.6173.9-172.992000111.4E505 L506 R507 H511 R512 H513E505-W509 VanDerWaalsContact O-CB 3.3Å; E505-W509 WeakPolarHBondContact O-CB 3.35Å; E505-W509 PolarHBondContact O-N 2.89Å; L506-W509 PolarHBondContact O-N 3.39Å; R507-W509 VanDerWaalsContact C-N 3.34Å; R507-W509 PolarHBondContact O-N 3.17Å; W509-H511 VanDerWaalsContact C-N 3.29Å; W509-H511 PolarHBondContact O-N 3.22Å; W509-R512 PolarHBondContact O-N 2.98Å; W509-H513 WeakPolarHBondContact O-CB 3.48Å; W509-H513 PolarHBondContact O-N 3.32Å
510V91.6Very high80.4Confident81 Ų81106.9 Ų106.949%0.49151%0.505SS..Hα-helixtrans-58.7-42174.9170.90000110.9L506 R507 Q514L506-V510 WeakPolarHBondContact O-CG2 3.47Å; L506-V510 PolarHBondContact O-N 2.66Å; R507-V510 PolarHBondContact O-N 2.89Å; V510-Q514 WeakPolarHBondContact O-CB 3.41Å; V510-Q514 PolarHBondContact O-N 3.28Å
511H82.1Confident78.7Confident118 Ų118104.7 Ų104.755%0.54651%0.507SS..Hα-helixtrans-64.6-47.4177.9-161.380.4000112R507 W509 H513 Q514 I515R507-H511 WeakPolarHBondContact O-CB 3.2Å; R507-H511 PolarHBondContact O-N 3.41Å; W509-H511 VanDerWaalsContact C-N 3.29Å; W509-H511 PolarHBondContact O-N 3.22Å; H511-H513 PolarHBondContact O-N 3.37Å; H511-Q514 PolarHBondContact O-N 2.83Å; H511-I515 VanDerWaalsContact CD2-CD1 3.43Å; H511-I515 WeakPolarHBondContact CD2-CD1 3.5Å; H511-I515 WeakPolarHBondContact O-CG1 3.47Å; H511-I515 PolarHBondContact O-N 3.04Å
512R86.7Confident76.4Confident164 Ų164102.3 Ų102.362%0.61952%0.519SS*.Hα-helixtrans-59.1-46.2175.3-78.6174.2-76.9-167.4-1.4112.3G508 W509 Q514 I515 D516G508-R512 WeakPolarHBondContact O-CB 3.36Å; G508-R512 WeakPolarHBondContact O-CG 3.47Å; G508-R512 PolarHBondContact O-N 3.28Å; G508-R512 PolarHBondContact O-NE 3.37Å; W509-R512 PolarHBondContact O-N 2.98Å; R512-Q514 VanDerWaalsContact C-N 3.33Å; R512-Q514 PolarHBondContact O-N 3.45Å; R512-I515 PolarHBondContact O-N 3.43Å; R512-D516 PolarHBondContact O-N 3.02Å
513H73.2Confident74.2Confident93 Ų93108.3 Ų108.343%0.43154%0.541SS..Hα-helixtrans-64.4-35.5176.4179-125.2000112.4W509 H511 D516 R517W509-H513 WeakPolarHBondContact O-CB 3.48Å; W509-H513 PolarHBondContact O-N 3.32Å; H511-H513 PolarHBondContact O-N 3.37Å; H513-D516 PolarHBondContact O-N 2.94Å; H513-R517 WeakPolarHBondContact O-CB 3.47Å; H513-R517 VanDerWaalsContact O-CG 3.3Å; H513-R517 WeakPolarHBondContact O-CG 3.33Å; H513-R517 PolarHBondContact O-N 3.49Å
514Q83.8Confident71.6Confident97 Ų97111.3 Ų111.345%0.45357%0.567SS.*Hα-helixtrans-73.4-32.8175.6-160.5-172.793.900112.8V510 H511 R512 K518V510-Q514 WeakPolarHBondContact O-CB 3.41Å; V510-Q514 PolarHBondContact O-N 3.28Å; H511-Q514 PolarHBondContact O-N 2.83Å; R512-Q514 VanDerWaalsContact C-N 3.33Å; R512-Q514 PolarHBondContact O-N 3.45Å; Q514-K518 WeakPolarHBondContact O-CG 3.13Å; Q514-K518 PolarHBondContact O-N 3.43Å; Q514-K518 VanDerWaalsContact OE1-NZ 3.1Å
515I74.8Confident69.2Low84 Ų84117 Ų11743%0.43159%0.587SS.*Hα-helixtrans-63.9-47.8169.8-71.2165.4000110.1H511 R512 R517 K518 K519H511-I515 VanDerWaalsContact CD2-CD1 3.43Å; H511-I515 WeakPolarHBondContact CD2-CD1 3.5Å; H511-I515 WeakPolarHBondContact O-CG1 3.47Å; H511-I515 PolarHBondContact O-N 3.04Å; R512-I515 PolarHBondContact O-N 3.43Å; I515-R517 VanDerWaalsContact C-N 3.35Å; I515-R517 PolarHBondContact O-N 2.93Å; I515-K518 CarbonylContact O-C 3.59Å; I515-K518 WeakPolarHBondContact O-CA 3.07Å; I515-K518 WeakPolarHBondContact O-CB 3.45Å; I515-K518 PolarHBondContact O-N 2.96Å; I515-K519 WeakPolarHBondContact O-CB 3.39Å; I515-K519 PolarHBondContact O-N 3.46Å
516D69.5Low66.5Low97 Ų97118.8 Ų118.852%0.51961%0.605SS.*Hα-helixtrans-64.5-39.3-177.3-167.764.5000112.4R512 H513 K518 K519 S520R512-D516 PolarHBondContact O-N 3.02Å; H513-D516 PolarHBondContact O-N 2.94Å; D516-K518 PolarHBondContact O-N 2.92Å; D516-K519 PolarHBondContact O-N 3.26Å; D516-K519 VanDerWaalsContact O-N 3.16Å; D516-S520 WeakPolarHBondContact O-CB 3.34Å; D516-S520 PolarHBondContact O-N 2.98Å; D516-S520 PolarHBondContact O-OG 2.96Å
517R70.4Confident63.9Low172 Ų172118 Ų11865%0.64961%0.614SS**Hα-helixtrans-62.5-24.2169.8-72.8-17964.876.77.2114.6H513 I515 S520H513-R517 WeakPolarHBondContact O-CB 3.47Å; H513-R517 VanDerWaalsContact O-CG 3.3Å; H513-R517 WeakPolarHBondContact O-CG 3.33Å; H513-R517 PolarHBondContact O-N 3.49Å; I515-R517 VanDerWaalsContact C-N 3.35Å; I515-R517 PolarHBondContact O-N 2.93Å; R517-S520 WeakPolarHBondContact CA-OG 2.96Å
518K68.1Low61.7Low145 Ų145121.2 Ų121.263%0.6363%0.632SS**Hα-helixtrans-83.9-37.7172.2-73168.5179.1169.30111.1Q514 I515 D516 G521Q514-K518 WeakPolarHBondContact O-CG 3.13Å; Q514-K518 PolarHBondContact O-N 3.43Å; Q514-K518 VanDerWaalsContact OE1-NZ 3.1Å; I515-K518 CarbonylContact O-C 3.59Å; I515-K518 WeakPolarHBondContact O-CA 3.07Å; I515-K518 WeakPolarHBondContact O-CB 3.45Å; I515-K518 PolarHBondContact O-N 2.96Å; D516-K518 PolarHBondContact O-N 2.92Å; K518-G521 PolarHBondContact O-N 3.03Å
519K62.8Low59.3Low176 Ų176129.8 Ų129.877%0.76566%0.662SS**Hα-helixtrans-69.8-34.1179.7-164.5176.1-177.5-178.60112.9I515 D516 G521I515-K519 WeakPolarHBondContact O-CB 3.39Å; I515-K519 PolarHBondContact O-N 3.46Å; D516-K519 PolarHBondContact O-N 3.26Å; D516-K519 VanDerWaalsContact O-N 3.16Å; K519-G521 PolarHBondContact O-N 3.28Å
520S50.2Low56.7Low83 Ų83127 Ų12758%0.5867%0.672SS**THydrogen-bonded Turntrans-78.72.8172.852.50000114.3D516 R517 G522D516-S520 WeakPolarHBondContact O-CB 3.34Å; D516-S520 PolarHBondContact O-N 2.98Å; D516-S520 PolarHBondContact O-OG 2.96Å; R517-S520 WeakPolarHBondContact CA-OG 2.96Å; S520-G522 PolarHBondContact O-N 3.43Å
521G44Very low54.1Low57 Ų57132.9 Ų132.959%0.58869%0.69SS**  trans-69.230.3-177.100000117K518 K519 K523K518-G521 PolarHBondContact O-N 3.03Å; K519-G521 PolarHBondContact O-N 3.28Å; G521-K523 PolarHBondContact O-N 2.86Å
522G42.7Very low51.8Low67 Ų67134.8 Ų134.869%0.69170%0.703SS**  trans-62.3127.4175.100000111.8S520 A524S520-G522 PolarHBondContact O-N 3.43Å; G522-A524 PolarHBondContact O-N 3.01Å
523K40.2Very low49.3Very low208 Ų208133.1 Ų133.190%0.90471%0.711SS**  trans-60.9103.7-171.7-65.8-178.7-178.9177.80112.7G521 K525G521-K523 PolarHBondContact O-N 2.86Å; K523-K525 PolarHBondContact O-N 3.5Å
524A35.7Very low47.7Very low96 Ų96137.6 Ų137.679%0.79373%0.732SS**  trans-63.3115.5169.500000110.7G522 T526G522-A524 PolarHBondContact O-N 3.01Å; A524-T526 PolarHBondContact O-N 2.91Å
525K36.3Very low45.2Very low204 Ų204142.9 Ų142.989%0.88775%0.754SS**  trans-74.5119.8178.1-70.8-176.1178.5178.70110.5K523 A527K523-K525 PolarHBondContact O-N 3.5Å; K525-A527 PolarHBondContact O-N 2.86Å; K525-A527 VanDerWaalsContact O-N 3.09Å
526T35.6Very low43.1Very low130 Ų130143.5 Ų143.580%0.79877%0.771SS**  trans-67.6102.9176520000111.6A524 K528A524-T526 PolarHBondContact O-N 2.91Å; T526-K528 PolarHBondContact O-N 2.84Å
527A33.1Very low41.3Very low95 Ų95147.9 Ų147.979%0.78579%0.789SS**  trans-76.4106174.200000111K525 K529K525-A527 PolarHBondContact O-N 2.86Å; K525-A527 VanDerWaalsContact O-N 3.09Å; A527-K529 PolarHBondContact O-N 3.42Å
528K42.2Very low39.5Very low203 Ų203146.5 Ų146.588%0.88379%0.794SS**  trans-70118.9170.3-62.3177.9-177.6176.90109.1T526T526-K528 PolarHBondContact O-N 2.84Å
529K37.3Very low37.9Very low204 Ų204151.4 Ų151.489%0.88781%0.808SS**  trans-105.7147.2162.6-78.9-167172.8-175.10110.4A527A527-K529 PolarHBondContact O-N 3.42Å
530A31.4Very low36.5Very low94 Ų94151.9 Ų151.978%0.77781%0.81SS**  trans-79.9156.8-162.600000113.9
531K36.3Very low35.6Very low203 Ų203153 Ų15388%0.88382%0.824SS**  trans-68.6130.5161.3-67.9179.7177.7179.10108.9
532I34.1Very low34.9Very low159 Ų159156.6 Ų156.682%0.81583%0.83SS**  trans-118.7136158.6-80.8177.8000107.8
533T34.5Very low34.4Very low128 Ų128161.1 Ų161.179%0.78584%0.837SS**  trans-108.1123.4-175.7-49.90000109.1
534Q38.6Very low33.9Very low187 Ų187155.1 Ų155.187%0.87482%0.821SS**  trans-137.2135.3163.8-96.4-173.3-7.500111.5
535K31.5Very low33.7Very low208 Ų208161 Ų16190%0.90482%0.823SS**  trans-101.1129.6167.7-67.3175.5175.81770107.8
536A30.6Very low33.4Very low97 Ų97161.8 Ų161.880%0.80282%0.822SS**  trans-146.493.1166.500000112.1
537Q32.3Very low33.2Very low190 Ų190163.3 Ų163.389%0.88882%0.824SS**  trans19.1104.5147.3-61.8-175.8-14.300120.5
538L32.6Very low33.3Very low143 Ų143163.5 Ų163.575%0.74982%0.817SS**  -4.3118.8129-177.480.9000116.7K540L538-K540 HydrophobicContact CD1-CG 4.15Å
539R34.3Very low32.7Very low248 Ų248162.1 Ų162.194%0.93682%0.818SS**  trans-131.4136.3139.4-76.1-166.7174.7-176.3-0.6109.7
540K33.3Very low32.3Very low185 Ų185161.1 Ų161.180%0.80482%0.816SS**  trans-94.1139.1174.1-64.6179.3178.9178.50109.4L538L538-K540 HydrophobicContact CD1-CG 4.15Å
541A31.1Very low32.2Very low106 Ų106161.4 Ų161.488%0.87682%0.819SS**  trans-116.8140150.900000107.4
542N30.1Very low31.8Very low134 Ų134160.7 Ų160.772%0.71782%0.818SS**  trans-149.6105.2-175.7178.24.4000111.1
543I32.3Very low31.8Very low162 Ų162162.2 Ų162.283%0.83181%0.814SS**  trans-153.8120.5149-79.4116.1000103
544S27.9Very low31.7Very low82 Ų82161 Ų16157%0.57381%0.81SS**  cis97.712125.6-168.70000113.8
545R32Very low31.7Very low218 Ų218158.5 Ų158.582%0.82380%0.801SS**  trans73.4128.9-172.6-51.3173.3-69.4-172.51.6112.6
546Y29.8Very low32.2Very low222 Ų222155.5 Ų155.587%0.87179%0.791SS**  cis-116.3159.720.8-73.1-100.9000115.2
547L32.2Very low32.6Very low162 Ų162155 Ų15585%0.84878%0.781SS**  trans-148.9171.7165.6-68177.1000107
548P36Very low32.8Very low99 Ų99155 Ų15564%0.64378%0.782SS**  -129.5179.1-60.239.1-24.8000111.1
549I28.2Very low33Very low174 Ų174155.2 Ų155.289%0.89278%0.782SS**  trans-119133.9152.1-64.9-178.3000107.7
550Q28.7Very low33.1Very low183 Ų183154.7 Ų154.786%0.85578%0.78SS**  trans-88.4125.8-172.8-67.4174.2-22.500111.5
551A30.3Very low33.2Very low100 Ų100151.5 Ų151.583%0.82678%0.776SS**  trans-118.3144.314800000107.5
552H28.5Very low33.2Very low188 Ų188153.7 Ų153.787%0.8777%0.772SS**  trans-75.9136-159.1-155.8-81.9000113.5
553R33.4Very low33.5Very low191 Ų191153.5 Ų153.572%0.72178%0.778SS**  trans-74.9122.7170-91.5174.6150.1-109.1-10110.9E556R553-E556 IonicContact CZ-OE2 2.67Å; R553-E556 IonicContact NH1-OE2 2.66Å; R553-E556 PolarHBondContact NH1-OE2 2.94Å; R553-E556 IonicContact NH2-OE2 3.79Å; R553-E556 PolarHBondContact NH2-OE2 3.16Å
554S31.6Very low33.8Very low102 Ų102148 Ų14871%0.71376%0.762SS**  trans180125.3146.6-162.50000105.3
555I39.2Very low34.5Very low134 Ų134150 Ų15069%0.68777%0.773SS**  cis-121.4132.730.2-63.5112.8000111.2
556E42.6Very low35.1Very low145 Ų145148.8 Ų148.868%0.67878%0.776SS**  trans-127.797.8163.9-176.4-179.8-174.100108R553R553-E556 IonicContact CZ-OE2 2.67Å; R553-E556 IonicContact NH1-OE2 2.66Å; R553-E556 PolarHBondContact NH1-OE2 2.94Å; R553-E556 IonicContact NH2-OE2 3.79Å; R553-E556 PolarHBondContact NH2-OE2 3.16Å
557S39Very low36.4Very low86 Ų86143.8 Ų143.860%0.60177%0.769SS**  trans-139.4117.9-178.9-165.60000110.9L559S557-L559 PolarHBondContact O-N 2.88Å
558Q35.8Very low38.2Very low192 Ų192139.6 Ų139.690%0.89775%0.75SS**SBendtrans70.513166.8-54.8-164.661.200120.2R560Q558-R560 PolarHBondContact O-N 3.44Å
559L37.4Very low39.9Very low146 Ų146141 Ų14176%0.76474%0.744SS**  trans-88.882.2165.4-126.1162.2000111.3S557 V561S557-L559 PolarHBondContact O-N 2.88Å; L559-V561 VanDerWaalsContact C-N 3.3Å; L559-V561 HydrophobicContact CD2-CG2 3.9Å; L559-V561 PolarHBondContact O-N 3.49Å
560R35.4Very low42.2Very low237 Ų237135.2 Ų135.289%0.89472%0.718SS**  trans-73.183.6170.3-80.6-173.7177.4149.60.8110.3Q558 L562Q558-R560 PolarHBondContact O-N 3.44Å; R560-L562 PolarHBondContact O-N 3.32Å
561V36.3Very low44.8Very low118 Ų118130.2 Ų130.272%0.71570%0.697SS**  trans-62.9107.7170-178.30000108.9L559L559-V561 VanDerWaalsContact C-N 3.3Å; L559-V561 HydrophobicContact CD2-CG2 3.9Å; L559-V561 PolarHBondContact O-N 3.49Å
562L31.7Very low47.4Very low153 Ų153127.9 Ų127.980%0.80167%0.669SS**  trans-69.3132162.4-80.1158.8000107.9R560 G564R560-L562 PolarHBondContact O-N 3.32Å; L562-G564 PolarHBondContact O-N 3.16Å
563P36.3Very low50.1Low129 Ų129120.1 Ų120.184%0.83863%0.634SS**  trans-71.983.817229.9-33.5000109.4
564G38Very low52.6Low48 Ų48116.6 Ų116.650%0.49563%0.629SS.*  trans-73.4-178.6160.200000111.1L562 E566L562-G564 PolarHBondContact O-N 3.16Å; G564-E566 PolarHBondContact O-N 2.98Å
565P42.1Very low55.1Low122 Ų122115.6 Ų115.679%0.79263%0.627SS**SBendtrans-58.2140.2168.927.7-34.5000109.8V567P565-V567 VanDerWaalsContact C-N 3.25Å; P565-V567 PolarHBondContact O-N 3.34Å
566E45.7Very low57.3Low193 Ų193109.8 Ų109.890%0.90260%0.597SS**  trans-72.876.7-176.1-64.3175.9138.200110.9G564 T568G564-E566 PolarHBondContact O-N 2.98Å; E566-T568 PolarHBondContact O-N 3.39Å
567V55.8Low59.4Low117 Ų117109.3 Ų109.371%0.70960%0.599SS**  trans-66.5113.3155.8179.70000105.8P565P565-V567 VanDerWaalsContact C-N 3.25Å; P565-V567 PolarHBondContact O-N 3.34Å
568T69.4Low61.7Low74 Ų74107.8 Ų107.845%0.45458%0.58SS.*  trans-67.8141.2-171.2-24.90000109.2E566 S570 D571E566-T568 PolarHBondContact O-N 3.39Å; T568-S570 VanDerWaalsContact CB-OG 3.29Å; T568-S570 WeakPolarHBondContact CB-OG 3.02Å; T568-S570 VanDerWaalsContact CG2-OG 3.28Å; T568-S570 WeakPolarHBondContact CG2-OG 3.42Å; T568-S570 PolarHBondContact O-N 2.9Å; T568-D571 VanDerWaalsContact CB-OD1 3.29Å; T568-D571 WeakPolarHBondContact CB-OD1 3.3Å; T568-D571 WeakPolarHBondContact CB-OD2 3.37Å; T568-D571 PolarHBondContact N-OD2 3.05Å; T568-D571 WeakPolarHBondContact O-CB 3.44Å; T568-D571 PolarHBondContact O-N 2.83Å; T568-D571 PolarHBondContact OG1-OD1 2.86Å; T568-D571 PolarHBondContact OG1-OD2 3.35Å
569Y73Confident64.2Low130 Ų130105 Ų10551%0.5156%0.561SS.*Hα-helixtrans-61.6-28.5179.3-173.4-110.9000112.2L573 L593 L595Y569-L573 HydrophobicContact CD1-CD1 3.9Å; Y569-L573 HydrophobicContact CD1-CG 4.3Å; Y569-L573 HydrophobicContact CE1-CD1 3.69Å; Y569-L573 HydrophobicContact CE1-CG 4.21Å; Y569-L573 WeakPolarHBondContact O-CG 3.31Å; Y569-L573 PolarHBondContact O-N 2.92Å; Y569-L573 VanDerWaalsContact O-N 3.16Å; Y569-L593 HydrophobicContact CE2-CD2 4.1Å; Y569-L595 WeakPolarHBondContact OH-CD2 3.16Å
570S77.1Confident66.6Low51 Ų51103.7 Ų103.736%0.35755%0.552SS.*Hα-helixtrans-55-50.3167.543.10000112.1T568 F572 L573 D574T568-S570 VanDerWaalsContact CB-OG 3.29Å; T568-S570 WeakPolarHBondContact CB-OG 3.02Å; T568-S570 VanDerWaalsContact CG2-OG 3.28Å; T568-S570 WeakPolarHBondContact CG2-OG 3.42Å; T568-S570 PolarHBondContact O-N 2.9Å; S570-F572 PolarHBondContact O-N 3.49Å; S570-F572 VanDerWaalsContact O-N 3.14Å; S570-L573 CarbonylContact O-C 3.58Å; S570-L573 WeakPolarHBondContact O-CA 3.42Å; S570-L573 PolarHBondContact O-N 3.45Å; S570-D574 WeakPolarHBondContact O-CB 3.37Å; S570-D574 VanDerWaalsContact O-CG 3.29Å; S570-D574 PolarHBondContact O-N 3.38Å
571D83.2Confident69.1Low78 Ų7894.8 Ų94.842%0.41752%0.521SS..Hα-helixtrans-62.4-32.1-170.6-42.6-16000110.9T568 A575T568-D571 VanDerWaalsContact CB-OD1 3.29Å; T568-D571 WeakPolarHBondContact CB-OD1 3.3Å; T568-D571 WeakPolarHBondContact CB-OD2 3.37Å; T568-D571 PolarHBondContact N-OD2 3.05Å; T568-D571 WeakPolarHBondContact O-CB 3.44Å; T568-D571 PolarHBondContact O-N 2.83Å; T568-D571 PolarHBondContact OG1-OD1 2.86Å; T568-D571 PolarHBondContact OG1-OD2 3.35Å; D571-A575 WeakPolarHBondContact O-CB 3.46Å; D571-A575 PolarHBondContact O-N 2.97Å
572F84.2Confident71.8Confident51 Ų5189.3 Ų89.322%0.22449%0.489CS..Hα-helixtrans-75.2-41.9170.8176.9-102.3000113.3S570 D574 A575 I576 V586 F588 L593S570-F572 PolarHBondContact O-N 3.49Å; S570-F572 VanDerWaalsContact O-N 3.14Å; F572-D574 VanDerWaalsContact C-N 3.32Å; F572-D574 PolarHBondContact O-N 2.9Å; F572-A575 PolarHBondContact O-N 3.07Å; F572-I576 HydrophobicContact CE1-CD1 3.98Å; F572-I576 HydrophobicContact CE1-CG2 4.3Å; F572-I576 HydrophobicContact CE2-CG2 3.81Å; F572-I576 HydrophobicContact CZ-CD1 4.29Å; F572-I576 HydrophobicContact CZ-CG2 3.67Å; F572-I576 PolarHBondContact O-N 3Å; F572-V586 HydrophobicContact CE1-CG1 4.16Å; F572-V586 HydrophobicContact CE1-CG2 4.27Å; F572-V586 HydrophobicContact CZ-CG1 3.69Å; F572-V586 HydrophobicContact CZ-CG2 4.32Å; F572-F588 HydrophobicContact CE2-CZ 4.11Å; F572-F588 AromaticContact CZ-CZ 3.93Å; F572-F588 HydrophobicContact CZ-CZ 3.93Å; F572-L593 HydrophobicContact CE1-CD2 4.27Å
573L85.1Confident74.6Confident26 Ų2685.4 Ų85.414%0.13647%0.465CS..Hα-helixtrans-65.4-36.2177.8-69.3-173.4000112.5Y569 S570 I576 R578 L595Y569-L573 HydrophobicContact CD1-CD1 3.9Å; Y569-L573 HydrophobicContact CD1-CG 4.3Å; Y569-L573 HydrophobicContact CE1-CD1 3.69Å; Y569-L573 HydrophobicContact CE1-CG 4.21Å; Y569-L573 WeakPolarHBondContact O-CG 3.31Å; Y569-L573 PolarHBondContact O-N 2.92Å; Y569-L573 VanDerWaalsContact O-N 3.16Å; S570-L573 CarbonylContact O-C 3.58Å; S570-L573 WeakPolarHBondContact O-CA 3.42Å; S570-L573 PolarHBondContact O-N 3.45Å; L573-I576 HydrophobicContact CD2-CD1 4.2Å; L573-I576 VanDerWaalsContact O-CG1 3.29Å; L573-I576 WeakPolarHBondContact O-CG1 3.29Å; L573-I576 PolarHBondContact O-N 2.98Å; L573-R578 HydrophobicContact CB-CB 4.29Å; L573-R578 VanDerWaalsContact O-CB 3.23Å; L573-R578 WeakPolarHBondContact O-CB 3.46Å; L573-R578 PolarHBondContact O-N 3.03Å; L573-R578 VanDerWaalsContact O-N 3.12Å; L573-L595 HydrophobicContact CD2-CD1 3.63Å; L573-L595 HydrophobicContact CD2-CD2 4.13Å
574D85.2Confident77.3Confident117 Ų11779.3 Ų79.363%0.62643%0.426SS*.Hα-helixtrans-70.4-40.1175.1-63.5-19.1000110.2S570 F572 I576 D577S570-D574 WeakPolarHBondContact O-CB 3.37Å; S570-D574 VanDerWaalsContact O-CG 3.29Å; S570-D574 PolarHBondContact O-N 3.38Å; F572-D574 VanDerWaalsContact C-N 3.32Å; F572-D574 PolarHBondContact O-N 2.9Å; D574-I576 PolarHBondContact O-N 2.96Å; D574-D577 PolarHBondContact O-N 2.85Å
575A85.1Confident79.9Confident81 Ų8178.3 Ų78.367%0.66941%0.41SS*.Hα-helixtrans-67.9-12.8176.700000115.2D571 F572D571-A575 WeakPolarHBondContact O-CB 3.46Å; D571-A575 PolarHBondContact O-N 2.97Å; F572-A575 PolarHBondContact O-N 3.07Å
576I85.8Confident82.3Confident12 Ų1272.5 Ų72.56%0.06237%0.372CS..THydrogen-bonded Turntrans-105.414.8171.266.9171.8000113.1F572 L573 D574 R578 Y584 V586 L595F572-I576 HydrophobicContact CE1-CD1 3.98Å; F572-I576 HydrophobicContact CE1-CG2 4.3Å; F572-I576 HydrophobicContact CE2-CG2 3.81Å; F572-I576 HydrophobicContact CZ-CD1 4.29Å; F572-I576 HydrophobicContact CZ-CG2 3.67Å; F572-I576 PolarHBondContact O-N 3Å; L573-I576 HydrophobicContact CD2-CD1 4.2Å; L573-I576 VanDerWaalsContact O-CG1 3.29Å; L573-I576 WeakPolarHBondContact O-CG1 3.29Å; L573-I576 PolarHBondContact O-N 2.98Å; D574-I576 PolarHBondContact O-N 2.96Å; I576-R578 HydrophobicContact CD1-CB 4.48Å; I576-R578 HydrophobicContact CG1-CB 4.16Å; I576-R578 PolarHBondContact O-N 3.27Å; I576-Y584 HydrophobicContact CD1-CD1 4.27Å; I576-V586 HydrophobicContact CD1-CG2 4.14Å; I576-L595 HydrophobicContact CD1-CD1 3.92Å
577D86.6Confident84.4Confident134 Ų13464 Ų6472%0.71733%0.334SS*.THydrogen-bonded Turntrans46.346.5-176.9-79.6-50.5000112.1D574 R579 Y584D574-D577 PolarHBondContact O-N 2.85Å; D577-R579 PolarHBondContact O-N 2.93Å; D577-Y584 PolarHBondContact O-OH 3.22Å; D577-Y584 VanDerWaalsContact O-OH 3.09Å
578R86.8Confident85.6Confident54 Ų5461.8 Ų61.820%0.20432%0.315CS..  trans-59.3107.8-169.7-175-154.5141.410014.7112L573 I576 Y584 P596L573-R578 HydrophobicContact CB-CB 4.29Å; L573-R578 VanDerWaalsContact O-CB 3.23Å; L573-R578 WeakPolarHBondContact O-CB 3.46Å; L573-R578 PolarHBondContact O-N 3.03Å; L573-R578 VanDerWaalsContact O-N 3.12Å; I576-R578 HydrophobicContact CD1-CB 4.48Å; I576-R578 HydrophobicContact CG1-CB 4.16Å; I576-R578 PolarHBondContact O-N 3.27Å; R578-Y584 HydrophobicContact CG-CD2 4.2Å; R578-Y584 HydrophobicContact CG-CE2 3.98Å; R578-P596 PolarHBondContact NH1-O 3.37Å; R578-P596 PolarHBondContact NH2-O 2.91Å
579R88.7Confident86Confident133 Ų13368.5 Ų68.550%0.50233%0.332SS..  trans-74.9152.2172.9-62.8-175.4-177165.95.7112.6D577 Y584D577-R579 PolarHBondContact O-N 2.93Å; R579-Y584 HydrophobicContact CB-CE2 4.4Å; R579-Y584 PolarHBondContact N-OH 3.23Å
580E86.8Confident86Confident120 Ų12072.1 Ų72.156%0.56135%0.345SS*.SBendtrans-75.6-33.1179.6-58.2-160.7153.100113.4A597 I598 S599E580-A597 CarbonylContact O-C 3.58Å; E580-A597 WeakPolarHBondContact O-CA 3.44Å; E580-I598 HydrophobicContact CB-CD1 4.28Å; E580-I598 HydrophobicContact CB-CG1 3.82Å; E580-I598 HydrophobicContact CG-CD1 4.04Å; E580-I598 HydrophobicContact CG-CG1 4.15Å; E580-I598 PolarHBondContact O-N 2.86Å; E580-S599 WeakPolarHBondContact CB-OG 3.25Å; E580-S599 PolarHBondContact O-N 3.17Å; E580-S599 PolarHBondContact O-OG 3.04Å
581D89Confident86.2Confident49 Ų4974.9 Ų74.926%0.26236%0.356SS..SBendtrans-95.34.5-172.170-37.5000114.1S599 K607D581-S599 PolarHBondContact N-OG 2.86Å; D581-K607 WeakPolarHBondContact OD2-CD 3.41Å; D581-K607 WeakPolarHBondContact OD2-CE 3.19Å; D581-K607 IonicContact OD2-NZ 2.74Å; D581-K607 PolarHBondContact OD2-NZ 2.87Å
582T91.8Very high86.4Confident4 Ų477.4 Ų77.43%0.02536%0.364CS..EExtended strand (participates in β ladder)trans-115.5134.1-178.2-62.50000110.8Y584 K607T582-Y584 HydrophobicContact CG2-CD2 3.84Å; T582-Y584 HydrophobicContact CG2-CE2 3.58Å; T582-Y584 HydrophobicContact CG2-CG 4.46Å; T582-Y584 WeakPolarHBondContact O-CD2 3.36Å; T582-K607 WeakPolarHBondContact CA-O 3.38Å; T582-K607 HydrophobicContact CG2-CB 4.19Å; T582-K607 WeakPolarHBondContact OG1-CB 3.19Å
583F91.6Very high86.6Confident71 Ų7177.2 Ų77.231%0.31137%0.365SS..EExtended strand (participates in β ladder)trans-82.6122168.4-176.6-91.7000109.8V585 L594 K607 M608 S609F583-V585 HydrophobicContact CD1-CG2 4Å; F583-V585 HydrophobicContact CE1-CG2 3.6Å; F583-L594 HydrophobicContact CE1-CD2 4.28Å; F583-L594 HydrophobicContact CZ-CB 4.32Å; F583-L594 HydrophobicContact CZ-CD2 4.23Å; F583-K607 PolarHBondContact N-O 2.86Å; F583-M608 HydrophobicContact CD1-CG 4.11Å; F583-M608 HydrophobicContact CD1-SD 3.86Å; F583-M608 HydrophobicContact CE1-SD 4.39Å; F583-M608 CarbonylContact O-C 3.58Å; F583-M608 WeakPolarHBondContact O-CA 3.33Å; F583-S609 PolarHBondContact O-N 2.66Å
584Y92.9Very high86.9Confident1 Ų181 Ų810%0.00439%0.385CS..EExtended strand (participates in β ladder)trans-103.8136.4179.5-68.2-112.4000111.6I576 D577 R578 R579 T582 L595 S609 V611I576-Y584 HydrophobicContact CD1-CD1 4.27Å; D577-Y584 PolarHBondContact O-OH 3.22Å; D577-Y584 VanDerWaalsContact O-OH 3.09Å; R578-Y584 HydrophobicContact CG-CD2 4.2Å; R578-Y584 HydrophobicContact CG-CE2 3.98Å; R579-Y584 HydrophobicContact CB-CE2 4.4Å; R579-Y584 PolarHBondContact N-OH 3.23Å; T582-Y584 HydrophobicContact CG2-CD2 3.84Å; T582-Y584 HydrophobicContact CG2-CE2 3.58Å; T582-Y584 HydrophobicContact CG2-CG 4.46Å; T582-Y584 WeakPolarHBondContact O-CD2 3.36Å; Y584-L595 PolarHBondContact N-O 2.59Å; Y584-L595 WeakPolarHBondContact O-CB 3.4Å; Y584-L595 PolarHBondContact O-N 3.37Å; Y584-S609 CarbonylContact C-O 3.59Å; Y584-S609 WeakPolarHBondContact CA-O 3.4Å; Y584-V611 HydrophobicContact CD1-CG2 4.05Å
585V92.8Very high87.1Confident26 Ų2675.6 Ų75.616%0.15836%0.356CS..EExtended strand (participates in β ladder)trans-112.3100.8169.6-178.80000107.4F583 L594 M608 S609 L610 V611F583-V585 HydrophobicContact CD1-CG2 4Å; F583-V585 HydrophobicContact CE1-CG2 3.6Å; V585-L594 HydrophobicContact CB-CD2 4.36Å; V585-L594 HydrophobicContact CG1-CD2 4.04Å; V585-L594 HydrophobicContact CG2-CD2 3.89Å; V585-M608 HydrophobicContact CG2-SD 4.36Å; V585-S609 PolarHBondContact N-O 3.34Å; V585-L610 HydrophobicContact CB-CD1 3.98Å; V585-L610 HydrophobicContact CG1-CD1 3.86Å; V585-V611 PolarHBondContact O-N 3.49Å
586V91.7Very high87.3Confident0 Ų075.6 Ų75.60%035%0.35CS..EExtended strand (participates in β ladder)trans-96.4109.4178.8-177.20000108.7F572 I576 F588 H592 L593 L595 V611 M631F572-V586 HydrophobicContact CE1-CG1 4.16Å; F572-V586 HydrophobicContact CE1-CG2 4.27Å; F572-V586 HydrophobicContact CZ-CG1 3.69Å; F572-V586 HydrophobicContact CZ-CG2 4.32Å; I576-V586 HydrophobicContact CD1-CG2 4.14Å; V586-F588 HydrophobicContact CB-CE2 4.49Å; V586-F588 HydrophobicContact CG1-CD2 4.16Å; V586-F588 HydrophobicContact CG1-CE1 4.42Å; V586-F588 HydrophobicContact CG1-CE2 3.5Å; V586-F588 VanDerWaalsContact CG1-CE2 3.5Å; V586-F588 HydrophobicContact CG1-CZ 3.66Å; V586-H592 CarbonylContact O-C 3.47Å; V586-H592 WeakPolarHBondContact O-CA 3.48Å; V586-L593 HydrophobicContact CB-CB 4.17Å; V586-L593 HydrophobicContact CB-CD2 4.49Å; V586-L593 PolarHBondContact N-O 3.32Å; V586-L593 PolarHBondContact O-N 2.95Å; V586-L595 HydrophobicContact CG2-CD1 3.88Å; V586-V611 CarbonylContact C-O 3.56Å; V586-V611 WeakPolarHBondContact CA-O 3.3Å; V586-V611 HydrophobicContact CG1-CB 4.48Å; V586-V611 HydrophobicContact CG2-CB 4.19Å; V586-V611 HydrophobicContact CG2-CG2 4.4Å; V586-M631 HydrophobicContact CG1-CE 4.2Å
587S90.5Very high87.4Confident16 Ų1677 Ų7711%0.11236%0.363CS..EExtended strand (participates in β ladder)trans-105.292.9-174.2-59.30000111.1H592 V611 P613S587-H592 WeakPolarHBondContact CB-ND1 3.26Å; S587-H592 PolarHBondContact OG-ND1 2.91Å; S587-V611 PolarHBondContact N-O 3.05Å; S587-P613 WeakPolarHBondContact O-CD 3.29Å
588F81.1Confident87.3Confident69 Ų6976 Ų7630%0.30336%0.356SS..EExtended strand (participates in β ladder)trans-72.8166.8163.5-56.9-79.9000109.6F572 V586 R590 D591 M631F572-F588 HydrophobicContact CE2-CZ 4.11Å; F572-F588 AromaticContact CZ-CZ 3.93Å; F572-F588 HydrophobicContact CZ-CZ 3.93Å; V586-F588 HydrophobicContact CB-CE2 4.49Å; V586-F588 HydrophobicContact CG1-CD2 4.16Å; V586-F588 HydrophobicContact CG1-CE1 4.42Å; V586-F588 HydrophobicContact CG1-CE2 3.5Å; V586-F588 VanDerWaalsContact CG1-CE2 3.5Å; V586-F588 HydrophobicContact CG1-CZ 3.66Å; F588-R590 PolarHBondContact O-N 3.36Å; F588-D591 HydrophobicContact CB-CB 4.44Å; F588-D591 PolarHBondContact N-O 3.02Å; F588-D591 PolarHBondContact O-N 3.21Å; F588-M631 HydrophobicContact CD1-CE 4Å; F588-M631 HydrophobicContact CE1-CE 3.56Å; F588-M631 HydrophobicContact CZ-CE 4.17Å
589R77.8Confident87.2Confident215 Ų21575.4 Ų75.481%0.81136%0.361SS*.THydrogen-bonded Turntrans-45.9-26.2-164.2-57178.1-59.4162.63.3117.5
590R72.5Confident86.7Confident206 Ų20676.4 Ų76.478%0.77737%0.371SS*.THydrogen-bonded Turntrans-142.62168.8-63.8-167.5-177.288.24.6113.7F588F588-R590 PolarHBondContact O-N 3.36Å
591D81.6Confident86.3Confident110 Ų11074.9 Ų74.959%0.58837%0.367SS*.EExtended strand (participates in β ladder)trans-127.7114.1-160.9-50-62.6000108.4F588F588-D591 HydrophobicContact CB-CB 4.44Å; F588-D591 PolarHBondContact N-O 3.02Å; F588-D591 PolarHBondContact O-N 3.21Å
592H86.4Confident85.8Confident130 Ų13081.3 Ų81.360%0.60239%0.392SS*.EExtended strand (participates in β ladder)trans-103.3112.5-174.6-56.4-81.6000110.5V586 S587V586-H592 CarbonylContact O-C 3.47Å; V586-H592 WeakPolarHBondContact O-CA 3.48Å; S587-H592 WeakPolarHBondContact CB-ND1 3.26Å; S587-H592 PolarHBondContact OG-ND1 2.91Å
593L88.9Confident85.2Confident47 Ų4787.4 Ų87.425%0.24643%0.429CS..EExtended strand (participates in β ladder)trans-89.3115.4172169.865.1000109.1Y569 F572 V586 L595Y569-L593 HydrophobicContact CE2-CD2 4.1Å; F572-L593 HydrophobicContact CE1-CD2 4.27Å; V586-L593 HydrophobicContact CB-CB 4.17Å; V586-L593 HydrophobicContact CB-CD2 4.49Å; V586-L593 PolarHBondContact N-O 3.32Å; V586-L593 PolarHBondContact O-N 2.95Å; L593-L595 HydrophobicContact CD1-CD2 4.07Å; L593-L595 HydrophobicContact CD2-CD2 4.15Å; L593-L595 HydrophobicContact CD2-CG 4.42Å; L593-L595 HydrophobicContact CG-CD2 3.96Å; L593-L595 HydrophobicContact CG-CG 4.11Å
594L90.6Very high84.8Confident106 Ų10686.3 Ų86.356%0.55543%0.43SS*.EExtended strand (participates in β ladder)trans-95.2126.6176-61.6179.5000110.1F583 V585F583-L594 HydrophobicContact CE1-CD2 4.28Å; F583-L594 HydrophobicContact CZ-CB 4.32Å; F583-L594 HydrophobicContact CZ-CD2 4.23Å; V585-L594 HydrophobicContact CB-CD2 4.36Å; V585-L594 HydrophobicContact CG1-CD2 4.04Å; V585-L594 HydrophobicContact CG2-CD2 3.89Å
595L89.9Confident84.4Confident3 Ų392.7 Ų92.72%0.01646%0.455CS..EExtended strand (participates in β ladder)trans-119.4103-175-67.1-179.3000109.1Y569 L573 I576 Y584 V586 L593Y569-L595 WeakPolarHBondContact OH-CD2 3.16Å; L573-L595 HydrophobicContact CD2-CD1 3.63Å; L573-L595 HydrophobicContact CD2-CD2 4.13Å; I576-L595 HydrophobicContact CD1-CD1 3.92Å; Y584-L595 PolarHBondContact N-O 2.59Å; Y584-L595 WeakPolarHBondContact O-CB 3.4Å; Y584-L595 PolarHBondContact O-N 3.37Å; V586-L595 HydrophobicContact CG2-CD1 3.88Å; L593-L595 HydrophobicContact CD1-CD2 4.07Å; L593-L595 HydrophobicContact CD2-CD2 4.15Å; L593-L595 HydrophobicContact CD2-CG 4.42Å; L593-L595 HydrophobicContact CG-CD2 3.96Å; L593-L595 HydrophobicContact CG-CG 4.11Å
596P89Confident84.2Confident81 Ų8194.9 Ų94.953%0.52647%0.47SS..  trans-65.2144179.926.9-33.9000111.4R578R578-P596 PolarHBondContact NH1-O 3.37Å; R578-P596 PolarHBondContact NH2-O 2.91Å
597A88.2Confident84.2Confident41 Ų4197.8 Ų97.834%0.33948%0.482SS..  trans-60.2135.8163.600000108.9E580E580-A597 CarbonylContact O-C 3.58Å; E580-A597 WeakPolarHBondContact O-CA 3.44Å
598I85.4Confident84.3Confident113 Ų113100.5 Ų100.558%0.57949%0.494SS*.SBendtrans-100.8-23.2-177.350.5-179.8000112.1E580E580-I598 HydrophobicContact CB-CD1 4.28Å; E580-I598 HydrophobicContact CB-CG1 3.82Å; E580-I598 HydrophobicContact CG-CD1 4.04Å; E580-I598 HydrophobicContact CG-CG1 4.15Å; E580-I598 PolarHBondContact O-N 2.86Å
599S82.9Confident84.9Confident43 Ų4397.2 Ų97.230%0.30148%0.48SS..  trans-110.1146.4162.7640000110.1E580 D581E580-S599 WeakPolarHBondContact CB-OG 3.25Å; E580-S599 PolarHBondContact O-N 3.17Å; E580-S599 PolarHBondContact O-OG 3.04Å; D581-S599 PolarHBondContact N-OG 2.86Å
600H78.6Confident85.7Confident153 Ų15390.2 Ų90.271%0.70846%0.458SS*.  trans-130.1108.6174.865-86.1000108.9
601N78.9Confident86.6Confident89 Ų8980.5 Ų80.548%0.47642%0.421SS..  trans-85132.1172.3-179.619.7000109.8T603 S604N601-T603 PolarHBondContact ND2-OG1 2.81Å; N601-T603 PolarHBondContact OD1-N 2.98Å; N601-T603 VanDerWaalsContact OD1-N 3.07Å; N601-T603 PolarHBondContact OD1-OG1 3.12Å; N601-T603 VanDerWaalsContact OD1-OG1 3.06Å; N601-S604 WeakPolarHBondContact CB-OG 3.29Å; N601-S604 PolarHBondContact ND2-N 2.8Å; N601-S604 PolarHBondContact ND2-OG 3.2Å
602K78Confident87.1Confident184 Ų18478.5 Ų78.580%0.841%0.409SS*.SBendtrans-85.2-10.9179.3-63.2-179.9-178.7176.70113.6
603T79.3Confident87.2Confident131 Ų13174.4 Ų74.480%0.80439%0.394SS*.SBendtrans-100.6-19.7-178.364.80000114.1N601N601-T603 PolarHBondContact ND2-OG1 2.81Å; N601-T603 PolarHBondContact OD1-N 2.98Å; N601-T603 VanDerWaalsContact OD1-N 3.07Å; N601-T603 PolarHBondContact OD1-OG1 3.12Å; N601-T603 VanDerWaalsContact OD1-OG1 3.06Å
604S83.1Confident87Confident48 Ų4874 Ų7434%0.33640%0.398SS..SBendtrans-100.5158172.1580000111.1N601N601-S604 WeakPolarHBondContact CB-OG 3.29Å; N601-S604 PolarHBondContact ND2-N 2.8Å; N601-S604 PolarHBondContact ND2-OG 3.2Å
605R85.1Confident86.3Confident135 Ų13577.3 Ų77.351%0.50941%0.412SS..PPolyproline II helixtrans-63.5146.4169.5-62.4-177.3-176.5-80.5-1.7109.8E637R605-E637 WeakPolarHBondContact CD-OE2 3.1Å
606P89.1Confident85Confident73 Ų7380.4 Ų80.447%0.47443%0.434SS..PPolyproline II helixtrans-61.4144.1171.9-17.730.5000110V638P606-V638 HydrophobicContact CB-CB 4.21Å; P606-V638 HydrophobicContact CB-CG2 4.35Å; P606-V638 WeakPolarHBondContact O-CG2 3.3Å; P606-V638 PolarHBondContact O-N 2.98Å
607K91.3Very high83.6Confident61 Ų6182.8 Ų82.827%0.26545%0.447SS..EExtended strand (participates in β ladder)trans-108145.7177.3-64.7170.3-170.3161.80110.2D581 T582 F583D581-K607 WeakPolarHBondContact OD2-CD 3.41Å; D581-K607 WeakPolarHBondContact OD2-CE 3.19Å; D581-K607 IonicContact OD2-NZ 2.74Å; D581-K607 PolarHBondContact OD2-NZ 2.87Å; T582-K607 WeakPolarHBondContact CA-O 3.38Å; T582-K607 HydrophobicContact CG2-CB 4.19Å; T582-K607 WeakPolarHBondContact OG1-CB 3.19Å; F583-K607 PolarHBondContact N-O 2.86Å
608M91.9Very high82.2Confident73 Ų7386 Ų8636%0.3646%0.459SS..EExtended strand (participates in β ladder)trans-136.9141.7174.1176.4159.853.200109.7F583 V585 C636 V638F583-M608 HydrophobicContact CD1-CG 4.11Å; F583-M608 HydrophobicContact CD1-SD 3.86Å; F583-M608 HydrophobicContact CE1-SD 4.39Å; F583-M608 CarbonylContact O-C 3.58Å; F583-M608 WeakPolarHBondContact O-CA 3.33Å; V585-M608 HydrophobicContact CG2-SD 4.36Å; M608-C636 PolarHBondContact N-O 3.36Å; M608-C636 WeakPolarHBondContact O-CA 3.15Å; M608-C636 PolarHBondContact O-N 3Å; M608-C636 VanDerWaalsContact O-O 3.11Å; M608-V638 HydrophobicContact CB-CG2 3.75Å; M608-V638 HydrophobicContact CE-CG2 4.11Å
609S94.4Very high81.1Confident0 Ų087 Ų870%046%0.461CS..EExtended strand (participates in β ladder)trans-127.7129.2177.3-1710000110.5F583 Y584 V585 Q633 V634 D635F583-S609 PolarHBondContact O-N 2.66Å; Y584-S609 CarbonylContact C-O 3.59Å; Y584-S609 WeakPolarHBondContact CA-O 3.4Å; V585-S609 PolarHBondContact N-O 3.34Å; S609-Q633 VanDerWaalsContact OG-CG 3.25Å; S609-Q633 WeakPolarHBondContact OG-CG 3.44Å; S609-Q633 PolarHBondContact OG-NE2 3.49Å; S609-V634 WeakPolarHBondContact CA-O 3.34Å; S609-D635 VanDerWaalsContact CB-OD1 3.24Å; S609-D635 WeakPolarHBondContact CB-OD1 3.35Å; S609-D635 PolarHBondContact OG-OD1 3.24Å
610L93.7Very high80.1Confident68 Ų6889.1 Ų89.136%0.35648%0.475SS..EExtended strand (participates in β ladder)trans-101.2118.4175.4176.264.6000108.7V585 M612 Q633 V634V585-L610 HydrophobicContact CB-CD1 3.98Å; V585-L610 HydrophobicContact CG1-CD1 3.86Å; L610-M612 HydrophobicContact CD2-SD 4.1Å; L610-M612 HydrophobicContact CG-SD 4.33Å; L610-Q633 CarbonylContact O-C 3.55Å; L610-Q633 WeakPolarHBondContact O-CA 3.39Å; L610-V634 HydrophobicContact CB-CB 4.45Å; L610-V634 PolarHBondContact N-O 2.83Å; L610-V634 PolarHBondContact O-N 3.21Å
611V92.4Very high79.1Confident1 Ų187.9 Ų87.91%0.00647%0.473CS..EExtended strand (participates in β ladder)trans-112.9128.2177.2-171.30000108.8Y584 V585 V586 S587 M631 M632 Q633Y584-V611 HydrophobicContact CD1-CG2 4.05Å; V585-V611 PolarHBondContact O-N 3.49Å; V586-V611 CarbonylContact C-O 3.56Å; V586-V611 WeakPolarHBondContact CA-O 3.3Å; V586-V611 HydrophobicContact CG1-CB 4.48Å; V586-V611 HydrophobicContact CG2-CB 4.19Å; V586-V611 HydrophobicContact CG2-CG2 4.4Å; S587-V611 PolarHBondContact N-O 3.05Å; V611-M631 HydrophobicContact CG1-CB 3.93Å; V611-M631 HydrophobicContact CG1-CE 4.19Å; V611-M631 HydrophobicContact CG1-CG 4.26Å; V611-M631 HydrophobicContact CG1-SD 4.46Å; V611-M632 CarbonylContact C-O 3.54Å; V611-M632 WeakPolarHBondContact CA-O 3.44Å; V611-Q633 HydrophobicContact CG2-CB 4.41Å; V611-Q633 HydrophobicContact CG2-CG 4.14Å
612M92Very high78.1Confident69 Ų6989.2 Ų89.234%0.3447%0.473SS..EExtended strand (participates in β ladder)trans-155.1152.7-178.360.4-169.7-65.700111.3L610 A614 M631 M632L610-M612 HydrophobicContact CD2-SD 4.1Å; L610-M612 HydrophobicContact CG-SD 4.33Å; M612-A614 PolarHBondContact O-N 3.27Å; M612-M631 VanDerWaalsContact C-SD 3.53Å; M612-M632 HydrophobicContact CG-CE 3.73Å; M612-M632 PolarHBondContact N-O 3.46Å; M612-M632 PolarHBondContact O-N 3.12Å; M612-M632 HydrophobicContact SD-CE 3.62Å
613P88.6Confident77.1Confident44 Ų4485.4 Ų85.429%0.28646%0.461SS..EExtended strand (participates in β ladder)trans-52.7127179.1-30.335.8000113S587 M631S587-P613 WeakPolarHBondContact O-CD 3.29Å; P613-M631 HydrophobicContact CB-SD 4.35Å; P613-M631 HydrophobicContact CG-SD 3.91Å; P613-M631 VanDerWaalsContact N-SD 3.41Å
614A85.6Confident76Confident39 Ų3984.2 Ų84.232%0.32246%0.458SS..PPolyproline II helixtrans-75127.2178.200000110.1M612 S616 M630 M632M612-A614 PolarHBondContact O-N 3.27Å; A614-S616 PolarHBondContact O-N 3.24Å; A614-M630 HydrophobicContact CB-CB 4.19Å; A614-M630 PolarHBondContact N-O 2.84Å; A614-M632 HydrophobicContact CB-CB 4.03Å
615M74Confident74.7Confident174 Ų17483.3 Ų83.386%0.85745%0.452SS*.PPolyproline II helixtrans-69.1128172.660.8-176.9179.100110.7V617M615-V617 PolarHBondContact O-N 3.41Å
616S63.8Low73.2Confident68 Ų6885.7 Ų85.748%0.47647%0.466SS..  trans-73.7108.1-17747.20000111.6A614 N618A614-S616 PolarHBondContact O-N 3.24Å; S616-N618 PolarHBondContact O-N 3.15Å
617V59.5Low72.2Confident131 Ų13186 Ų8679%0.79448%0.482SS*.SBendtrans-72.3-19.6176.1-158.10000112.2M615M615-V617 PolarHBondContact O-N 3.41Å
618N59.6Low71.4Confident109 Ų10991.7 Ų91.758%0.58350%0.503SS*.  trans-144.5127.4175.5-82.7-57.7000111.6S616 S620S616-N618 PolarHBondContact O-N 3.15Å; N618-S620 VanDerWaalsContact C-N 3.27Å; N618-S620 PolarHBondContact O-N 3.22Å
619E62.4Low70.8Confident135 Ų13593.7 Ų93.763%0.63151%0.511SS*.Hα-helixtrans-63-26.1178.6-69.2-67.3144.500114.3N623E619-N623 PolarHBondContact O-ND2 3.3Å
620S61.7Low70.3Confident86 Ų8698.6 Ų98.660%0.60154%0.536SS*.Hα-helixtrans-68.9-37.4-172.452.10000113.7N618N618-S620 VanDerWaalsContact C-N 3.27Å; N618-S620 PolarHBondContact O-N 3.22Å
621L57.9Low69.9Low127 Ų12798 Ų9867%0.66553%0.532SS*.Hα-helixtrans-73.2-30.5179.9-89.8158.2000113S624 S625L621-S624 PolarHBondContact O-N 2.99Å; L621-S625 PolarHBondContact O-OG 3.45Å
622Y57.7Low69.8Low117 Ų117102 Ų10246%0.45955%0.551SS.*Hα-helixtrans-70.1-33.3-178.8-160.5-97.6000112.3S624 S625Y622-S624 VanDerWaalsContact C-N 3.25Å; Y622-S624 PolarHBondContact O-N 3.16Å; Y622-S625 WeakPolarHBondContact CA-OG 3.35Å; Y622-S625 PolarHBondContact O-N 2.97Å; Y622-S625 PolarHBondContact O-OG 2.92Å; Y622-S625 VanDerWaalsContact O-OG 3.1Å
623N56.3Low69.9Low105 Ų105102.5 Ų102.556%0.56155%0.553SS**THydrogen-bonded Turntrans-70.7-20178.9-78.7-81.2000113.8E619E619-N623 PolarHBondContact O-ND2 3.3Å
624S55.9Low70.1Confident105 Ų105103.2 Ų103.273%0.73456%0.556SS**THydrogen-bonded Turntrans-80.7-21.7172.9-580000113.3L621 Y622 K626L621-S624 PolarHBondContact O-N 2.99Å; Y622-S624 VanDerWaalsContact C-N 3.25Å; Y622-S624 PolarHBondContact O-N 3.16Å; S624-K626 PolarHBondContact O-N 3.44Å
625S55.5Low70.5Confident29 Ų29105.3 Ų105.320%0.20356%0.562CS.*  trans-99.840.7-171.331.10000112.9L621 Y622 G627 Y628L621-S625 PolarHBondContact O-OG 3.45Å; Y622-S625 WeakPolarHBondContact CA-OG 3.35Å; Y622-S625 PolarHBondContact O-N 2.97Å; Y622-S625 PolarHBondContact O-OG 2.92Å; Y622-S625 VanDerWaalsContact O-OG 3.1Å; S625-G627 PolarHBondContact O-N 2.83Å; S625-Y628 PolarHBondContact O-N 3.23Å
626K54.5Low71.3Confident186 Ų186100.1 Ų100.181%0.80954%0.542SS*.THydrogen-bonded Turntrans-58.498.1177.1-71.4-179.1-179.3174.80111.7S624S624-K626 PolarHBondContact O-N 3.44Å
627G67.9Low72.6Confident79 Ų79102.9 Ų102.981%0.81455%0.547SS*.THydrogen-bonded Turntrans123-6.7-18000000115S625S625-G627 PolarHBondContact O-N 2.83Å
628Y74.4Confident74.1Confident180 Ų18098.3 Ų98.371%0.70652%0.52SS*.  trans-116.4131.4179-62.5-88.9000110.8S625S625-Y628 PolarHBondContact O-N 3.23Å
629E78.7Confident75.4Confident115 Ų11599 Ų9954%0.53752%0.521SS..  trans-95120.1170.1-174166.4179.800108.7M631E629-M631 PolarHBondContact O-N 2.84Å
630M83.6Confident76.4Confident103 Ų10398.4 Ų98.451%0.50752%0.522SS..  trans-73.9117.8-177.7-64-58.9-61.600110.1A614A614-M630 HydrophobicContact CB-CB 4.19Å; A614-M630 PolarHBondContact N-O 2.84Å
631M86.8Confident77.6Confident56 Ų5699.2 Ų99.228%0.27652%0.524SS..EExtended strand (participates in β ladder)trans-106.2139.6176.1-67.1-67-126.300111.1V586 F588 V611 M612 P613 E629V586-M631 HydrophobicContact CG1-CE 4.2Å; F588-M631 HydrophobicContact CD1-CE 4Å; F588-M631 HydrophobicContact CE1-CE 3.56Å; F588-M631 HydrophobicContact CZ-CE 4.17Å; V611-M631 HydrophobicContact CG1-CB 3.93Å; V611-M631 HydrophobicContact CG1-CE 4.19Å; V611-M631 HydrophobicContact CG1-CG 4.26Å; V611-M631 HydrophobicContact CG1-SD 4.46Å; M612-M631 VanDerWaalsContact C-SD 3.53Å; P613-M631 HydrophobicContact CB-SD 4.35Å; P613-M631 HydrophobicContact CG-SD 3.91Å; P613-M631 VanDerWaalsContact N-SD 3.41Å; E629-M631 PolarHBondContact O-N 2.84Å
632M90.1Very high79Confident85 Ų85102.7 Ų102.742%0.41953%0.528SS..EExtended strand (participates in β ladder)trans-94.2125.8166.4-179.9176.570.200108.3V611 M612 A614 V634V611-M632 CarbonylContact C-O 3.54Å; V611-M632 WeakPolarHBondContact CA-O 3.44Å; M612-M632 HydrophobicContact CG-CE 3.73Å; M612-M632 PolarHBondContact N-O 3.46Å; M612-M632 PolarHBondContact O-N 3.12Å; M612-M632 HydrophobicContact SD-CE 3.62Å; A614-M632 HydrophobicContact CB-CB 4.03Å; M632-V634 HydrophobicContact CE-CG2 4.4Å; M632-V634 HydrophobicContact CG-CG2 4.26Å
633Q92.8Very high80.5Confident80 Ų80105.2 Ų105.237%0.37455%0.548SS..EExtended strand (participates in β ladder)trans-110.7134.6173.6179.5172.1-26.200109.8S609 L610 V611 D635S609-Q633 VanDerWaalsContact OG-CG 3.25Å; S609-Q633 WeakPolarHBondContact OG-CG 3.44Å; S609-Q633 PolarHBondContact OG-NE2 3.49Å; L610-Q633 CarbonylContact O-C 3.55Å; L610-Q633 WeakPolarHBondContact O-CA 3.39Å; V611-Q633 HydrophobicContact CG2-CB 4.41Å; V611-Q633 HydrophobicContact CG2-CG 4.14Å; Q633-D635 PolarHBondContact NE2-OD1 3.18Å
634V93.3Very high82.2Confident58 Ų58104.6 Ų104.635%0.35255%0.548SS..EExtended strand (participates in β ladder)trans-127.1103.6177.8-173.60000108.7S609 L610 M632S609-V634 WeakPolarHBondContact CA-O 3.34Å; L610-V634 HydrophobicContact CB-CB 4.45Å; L610-V634 PolarHBondContact N-O 2.83Å; L610-V634 PolarHBondContact O-N 3.21Å; M632-V634 HydrophobicContact CE-CG2 4.4Å; M632-V634 HydrophobicContact CG-CG2 4.26Å
635D93.6Very high83.8Confident84 Ų84105.5 Ų105.545%0.44955%0.551SS.*EExtended strand (participates in β ladder)trans-83.9133.4177.1-72.5-5.5000110.7S609 Q633S609-D635 VanDerWaalsContact CB-OD1 3.24Å; S609-D635 WeakPolarHBondContact CB-OD1 3.35Å; S609-D635 PolarHBondContact OG-OD1 3.24Å; Q633-D635 PolarHBondContact NE2-OD1 3.18Å
636C91.2Very high85.5Confident64 Ų64109.6 Ų109.643%0.43257%0.569SS.*EExtended strand (participates in β ladder)trans-134.9141.5-175.3-670000111.5M608M608-C636 PolarHBondContact N-O 3.36Å; M608-C636 WeakPolarHBondContact O-CA 3.15Å; M608-C636 PolarHBondContact O-N 3Å; M608-C636 VanDerWaalsContact O-O 3.11Å
637E91.7Very high87.3Confident126 Ų126108.8 Ų108.859%0.58957%0.566SS**EExtended strand (participates in β ladder)trans-87.2132.9161.5-64.6-161.7167.500109.8R605R605-E637 WeakPolarHBondContact CD-OE2 3.1Å
638V89.9Confident88.2Confident36 Ų36109.5 Ų109.522%0.21856%0.558CS.*PPolyproline II helixtrans-86.2117.5-178.4-168.70000109.7P606 M608 T641P606-V638 HydrophobicContact CB-CB 4.21Å; P606-V638 HydrophobicContact CB-CG2 4.35Å; P606-V638 WeakPolarHBondContact O-CG2 3.3Å; P606-V638 PolarHBondContact O-N 2.98Å; M608-V638 HydrophobicContact CB-CG2 3.75Å; M608-V638 HydrophobicContact CE-CG2 4.11Å; V638-T641 HydrophobicContact CB-CG2 4.39Å; V638-T641 HydrophobicContact CG1-CG2 3.52Å
639M86.9Confident88.9Confident124 Ų124105.3 Ų105.361%0.61156%0.555SS**PPolyproline II helixtrans-98.4153.1172.8-63.1-177.663.400110.9T641M639-T641 VanDerWaalsContact C-N 3.34Å; M639-T641 PolarHBondContact O-N 2.65Å; M639-T641 VanDerWaalsContact O-N 3.17Å
640D84.1Confident89.4Confident121 Ų121103.3 Ų103.365%0.64756%0.559SS**  trans49.643.8166.5-51.2-24.2000116.4R642D640-R642 PolarHBondContact O-N 2.8Å; D640-R642 VanDerWaalsContact O-N 3.11Å
641T86.1Confident89.6Confident104 Ų104100.4 Ų100.464%0.63855%0.546SS*.  trans-57110.6172.852.80000111.2V638 M639V638-T641 HydrophobicContact CB-CG2 4.39Å; V638-T641 HydrophobicContact CG1-CG2 3.52Å; M639-T641 VanDerWaalsContact C-N 3.34Å; M639-T641 PolarHBondContact O-N 2.65Å; M639-T641 VanDerWaalsContact O-N 3.17Å
642R87.8Confident89.6Confident199 Ų199100.8 Ų100.875%0.75155%0.553SS**  trans-131.6143.8177.463.2-178.9179.9-84.86.6111.5D640 V644D640-R642 PolarHBondContact O-N 2.8Å; D640-R642 VanDerWaalsContact O-N 3.11Å; R642-V644 HydrophobicContact CG-CG2 4.11Å
643I88.9Confident89Confident171 Ų171101.9 Ų101.988%0.87757%0.566SS**  trans-79.4120172.5-59.6174.6000107.8
644V91.7Very high88.2Confident92 Ų92103 Ų10356%0.55858%0.583SS**  trans-104.4114.4178.5-178.10000109.4R642 I646R642-V644 HydrophobicContact CG-CG2 4.11Å; V644-I646 HydrophobicContact CG1-CG1 4.27Å; V644-I646 PolarHBondContact O-N 2.68Å; V644-I646 VanDerWaalsContact O-N 3.14Å
645P90.8Very high87.3Confident123 Ų123106.5 Ų106.580%0.79960%0.599SS**  trans-76.5101.2178.329.8-33.2000110.9
646I90.8Very high86.7Confident116 Ų116107.9 Ų107.960%0.59560%0.598SS**  trans-89.1128.5176-57.5176.8000109.3V644 S648 A650 V651V644-I646 HydrophobicContact CG1-CG1 4.27Å; V644-I646 PolarHBondContact O-N 2.68Å; V644-I646 VanDerWaalsContact O-N 3.14Å; I646-S648 PolarHBondContact O-N 2.96Å; I646-A650 HydrophobicContact CG2-CB 4.37Å; I646-V651 HydrophobicContact CG2-CG2 3.95Å
647K91.9Very high85.8Confident169 Ų169110.9 Ų110.974%0.73561%0.61SS**  trans-61.3128.6173.2-66.6179.6-179.4175.50109.4S649 A650K647-S649 PolarHBondContact O-N 2.99Å; K647-A650 WeakPolarHBondContact O-CB 3.41Å; K647-A650 PolarHBondContact O-N 2.8Å
648S87.9Confident84.6Confident93 Ų93110.6 Ų110.665%0.6562%0.619SS**THydrogen-bonded Turntrans-56.4-26.4-179-43.10000113.5I646 A650 V651 R656I646-S648 PolarHBondContact O-N 2.96Å; S648-A650 VanDerWaalsContact C-N 3.3Å; S648-A650 PolarHBondContact O-N 3.37Å; S648-V651 PolarHBondContact O-N 2.81Å; S648-R656 PolarHBondContact O-NE 2.99Å; S648-R656 VanDerWaalsContact O-NE 3.1Å; S648-R656 PolarHBondContact O-NH2 3.47Å; S648-R656 VanDerWaalsContact O-NH2 3.17Å
649S88.2Confident83.5Confident93 Ų93115 Ų11565%0.6565%0.646SS**THydrogen-bonded Turntrans-64.7-28.1173.755.60000114.2K647 R656K647-S649 PolarHBondContact O-N 2.99Å; S649-R656 PolarHBondContact O-NH2 3.41Å
650A89.4Confident82.6Confident73 Ų73114.4 Ų114.460%0.60365%0.652SS**THydrogen-bonded Turntrans-86.9-17.8179.500000113.3I646 K647 S648I646-A650 HydrophobicContact CG2-CB 4.37Å; K647-A650 WeakPolarHBondContact O-CB 3.41Å; K647-A650 PolarHBondContact O-N 2.8Å; S648-A650 VanDerWaalsContact C-N 3.3Å; S648-A650 PolarHBondContact O-N 3.37Å
651V88.1Confident81.6Confident41 Ų41114.2 Ų114.225%0.24866%0.657CS.*SBendtrans-71.1128.1172.2-178.60000108.7I646 S648 L655 R656I646-V651 HydrophobicContact CG2-CG2 3.95Å; S648-V651 PolarHBondContact O-N 2.81Å; V651-L655 HydrophobicContact CG1-CB 3.92Å; V651-R656 HydrophobicContact CB-CG 4.37Å; V651-R656 HydrophobicContact CG1-CG 4.1Å; V651-R656 VanDerWaalsContact O-CZ 3.24Å; V651-R656 PolarHBondContact O-NE 2.58Å; V651-R656 PolarHBondContact O-NH2 3.04Å
652P87.2Confident80.6Confident65 Ų65114.6 Ų114.642%0.42266%0.661SS.*  trans-53.3141.1176.9-28.835.8000112.5S654 L655P652-S654 PolarHBondContact O-N 3.24Å; P652-S654 VanDerWaalsContact O-N 3.1Å; P652-L655 HydrophobicContact CB-CD1 4.43Å; P652-L655 HydrophobicContact CB-CG 4.43Å; P652-L655 HydrophobicContact CG-CD1 4.19Å; P652-L655 PolarHBondContact O-N 3.03Å
653P77.4Confident79.1Confident107 Ų107111.1 Ų111.170%0.69567%0.665SS**G310 helixtrans-57.1-27.8-178.6-27.535.8000114.7L655 R656P653-L655 PolarHBondContact O-N 3.21Å; P653-R656 PolarHBondContact O-N 3.07Å
654S74.8Confident77Confident105 Ų105107.6 Ų107.673%0.73466%0.661SS**G310 helixtrans-70.6-12.9174.348.50000114.8P652P652-S654 PolarHBondContact O-N 3.24Å; P652-S654 VanDerWaalsContact O-N 3.1Å
655L74.8Confident74.6Confident130 Ų130108 Ų10868%0.68167%0.668SS**G310 helixtrans-115.412.3-179.8-59.6179.7000112.4V651 P652 P653V651-L655 HydrophobicContact CG1-CB 3.92Å; P652-L655 HydrophobicContact CB-CD1 4.43Å; P652-L655 HydrophobicContact CB-CG 4.43Å; P652-L655 HydrophobicContact CG-CD1 4.19Å; P652-L655 PolarHBondContact O-N 3.03Å; P653-L655 PolarHBondContact O-N 3.21Å
656R80.5Confident72.7Confident113 Ų113111.5 Ų111.543%0.42667%0.673SS.*SBendtrans-97.3141.2170.4-59179.7-165.2175.95.1108.7S648 S649 V651 P653S648-R656 PolarHBondContact O-NE 2.99Å; S648-R656 VanDerWaalsContact O-NE 3.1Å; S648-R656 PolarHBondContact O-NH2 3.47Å; S648-R656 VanDerWaalsContact O-NH2 3.17Å; S649-R656 PolarHBondContact O-NH2 3.41Å; V651-R656 HydrophobicContact CB-CG 4.37Å; V651-R656 HydrophobicContact CG1-CG 4.1Å; V651-R656 VanDerWaalsContact O-CZ 3.24Å; V651-R656 PolarHBondContact O-NE 2.58Å; V651-R656 PolarHBondContact O-NH2 3.04Å; P653-R656 PolarHBondContact O-N 3.07Å
657D73.3Confident70.4Confident127 Ų127114.3 Ų114.368%0.67968%0.684SS**PPolyproline II helixtrans-56.7140.6166.1-78.9-52.9000110T659D657-T659 PolarHBondContact O-N 2.88Å; D657-T659 VanDerWaalsContact O-N 3.13Å
658P67Low67.6Low121 Ų121109.6 Ų109.679%0.78668%0.683SS**PPolyproline II helixtrans-62.4118.5174.126.6-33000108.7
659T65Low65.2Low127 Ų127110.1 Ų110.178%0.77969%0.693SS**PPolyproline II helixtrans-52.9132.5176.739.10000110.2D657D657-T659 PolarHBondContact O-N 2.88Å; D657-T659 VanDerWaalsContact O-N 3.13Å
660P68Low62.8Low113 Ų113113.3 Ų113.373%0.73470%0.697SS**PPolyproline II helixtrans-57.8144.317625.4-34000109.7
661P63.4Low60.2Low117 Ų117116.8 Ų116.876%0.7670%0.701SS**PPolyproline II helixtrans-59.7143.3-178.525.6-34.3000110.4
662P66.2Low57.6Low112 Ų112122.9 Ų122.973%0.72773%0.726SS**PPolyproline II helixtrans-60.5145.9178.726.4-34.5000110.4A664P662-A664 PolarHBondContact O-N 3.35Å
663P55.8Low55.1Low126 Ų126128.5 Ų128.582%0.81875%0.747SS**PPolyproline II helixtrans-59.3131.4175.126.3-34000109.4S665P663-S665 PolarHBondContact O-N 3.31Å; P663-S665 VanDerWaalsContact O-N 3.14Å
664A44.1Very low52.9Low96 Ų96126.8 Ų126.879%0.79375%0.749SS**PPolyproline II helixtrans-58.5118.8-17500000111P662 Q666P662-A664 PolarHBondContact O-N 3.35Å; A664-Q666 PolarHBondContact O-N 2.93Å
665S43Very low50.9Low101 Ų101128.4 Ų128.471%0.70675%0.749SS**PPolyproline II helixtrans-64.4122.4173.539.30000109.6P663 H667P663-S665 PolarHBondContact O-N 3.31Å; P663-S665 VanDerWaalsContact O-N 3.14Å; S665-H667 PolarHBondContact O-N 3.31Å; S665-H667 VanDerWaalsContact O-N 3.12Å
666Q49Very low49.1Very low196 Ų196128.4 Ų128.492%0.91675%0.75SS**  trans-68110.1-179.8-65.8178.8100110.1A664A664-Q666 PolarHBondContact O-N 2.93Å
667H42.8Very low46.8Very low175 Ų175128.5 Ų128.581%0.8176%0.763SS**  trans-113.1121.2166.8-92-75000111S665S665-H667 PolarHBondContact O-N 3.31Å; S665-H667 VanDerWaalsContact O-N 3.12Å
668G34.6Very low45Very low71 Ų71127.6 Ų127.673%0.73277%0.767SS**  trans53.788.9150.800000117.7
669A37.2Very low43.6Very low104 Ų104128.8 Ų128.886%0.8677%0.766SS**  trans-73.6124.7159.300000110.5
670H36.6Very low42Very low159 Ų159134.1 Ų134.174%0.73677%0.771SS**  trans-127.9126.2158.8-87.8-74.7000109.1
671H35.7Very low40.2Very low147 Ų147132.6 Ų132.668%0.68178%0.777SS**  trans25.9132.9160.5-41-70.9000119.3
672H33.8Very low38.7Very low168 Ų168136.5 Ų136.578%0.77878%0.776SS**  -158.2174.853.1-85.4-84000115
673H33.8Very low37.3Very low183 Ų183137.7 Ų137.785%0.84777%0.772SS**  trans-28.8154.7177.8-64.6-75.6000121.8
674G30.6Very low36.4Very low72 Ų72138.1 Ų138.174%0.74276%0.763SS**  trans147.350.6159.100000114.2
675N33.9Very low35.8Very low139 Ų139140.7 Ų140.774%0.74376%0.758SS**  71.8138.987.5-158.132.8000115.2
676N35.9Very low35.2Very low130 Ų130143.4 Ų143.470%0.69576%0.759SS**  trans69.4148.5175.6-57.7-18.5000117.4
677T33.8Very low35.2Very low115 Ų115139.6 Ų139.671%0.70675%0.752SS**  cis-166.9154-1824.10000109
678S35.1Very low34.6Very low107 Ų107136.3 Ų136.375%0.74875%0.749SS**  trans66.1153.9155.5-66.40000118.4
679L37.4Very low34.5Very low146 Ų146138.3 Ų138.376%0.76475%0.751SS**  cis-149118.1-18.8-101.1159.7000104.7
680R30.4Very low34.2Very low239 Ų239138.9 Ų138.990%0.90275%0.749SS**  49.980.690.3-154.2-175.1-159.7-151.55.9115
681G31.6Very low33.9Very low82 Ų82136.7 Ų136.785%0.84575%0.751SS**  trans-132.6105.4159.900000109.6
682R31.6Very low34.5Very low198 Ų198135.5 Ų135.575%0.74776%0.757SS**  trans-128.5169-172.8-178.5179.5173.6-177.9-1109.6
683H37.3Very low34.4Very low138 Ų138132.6 Ų132.664%0.63976%0.755SS**  trans87.5123168.9-50.4-85.6000112.4
684Q36.6Very low35.1Very low135 Ų135128.9 Ų128.963%0.63175%0.747SS**  cis-147.9-167-4.3-137.6138.2-96.200107.5
685H30.4Very low35.2Very low149 Ų149137 Ų13769%0.6976%0.755SS**  cis-147.4175.415.5-142.3-81.7000113.6
686H30.6Very low35.3Very low158 Ų158139.1 Ų139.173%0.73176%0.761SS**  trans-123.1-174.5173.8-62.3-72.3000108.8
687P48.5Very low35.7Very low117 Ų117138.7 Ų138.776%0.7677%0.765SS**  cis-141.81592.941.3-22.8000118.7
688S30.1Very low35.7Very low106 Ų106140.7 Ų140.774%0.74177%0.771SS**  trans-179.3112.4137.138.30000108
689S32.9Very low36.3Very low112 Ų112141.3 Ų141.378%0.78377%0.772SS**  56.712485.167.60000114.3
690S31.5Very low35.9Very low116 Ų116138.6 Ų138.681%0.81177%0.771SS**  cis-163.5155.72.645.10000112.9
691S31.2Very low36Very low113 Ų113138 Ų13879%0.7977%0.769SS**  trans-73.7176.1169.9-490000112
692P47.6Very low35.9Very low123 Ų123139.8 Ų139.880%0.79976%0.763SS**  cis-142.9-178.217.543.7-23.1000119
693S31.2Very low35.8Very low107 Ų107138 Ų13875%0.74876%0.764SS**  trans-68.6-168.7169-300000113.2
694P49.2Very low35.6Very low104 Ų104137.5 Ų137.568%0.67577%0.77SS**  cis-138.3179.6-540.5-22.5000115.9
695R32.3Very low35.8Very low242 Ų242137 Ų13791%0.91378%0.779SS**  173.6147.6125.9-92.5159.1-159-125.14114.4
696Q36.6Very low35.9Very low185 Ų185138.4 Ų138.486%0.86479%0.786SS**  trans-96.6175.7161.8-80.9-178.1-13.800108.8
697P43.8Very low35.9Very low120 Ų120140.5 Ų140.578%0.77979%0.789SS**  cis-144.4-173.122.742.9-21.4000118.4
698L34.8Very low35.1Very low157 Ų157142 Ų14282%0.82279%0.789SS**  trans-61.6162.3162-74.4168.2000112
699P46Very low35.2Very low120 Ų120144.1 Ų144.178%0.77979%0.791SS**  -158.8173.356.744.8-22.7000121.8
700A30.3Very low35Very low90 Ų90142.8 Ų142.874%0.74478%0.781SS**  trans60.2113.5139.400000124.9
701R31Very low35.3Very low226 Ų226145.4 Ų145.485%0.85378%0.781SS**  52.5108.7117.1-174.3-160.6177.91770.3121.4
702T29.5Very low35.6Very low119 Ų119145 Ų14573%0.7378%0.778SS**  -170.8128.9124.323.60000109.1
703Q30.9Very low35.1Very low162 Ų162148.6 Ų148.676%0.75778%0.784SS**  61.5116.392.9-78.4-177.2-30.300117.2
704T32.8Very low35.3Very low126 Ų126146.5 Ų146.577%0.77378%0.78SS**  trans17.1138138.249.70000119.6
705P41.2Very low34.7Very low126 Ų126152.4 Ų152.482%0.81881%0.813SS**  -147.3-163.174.743.1-25.3000116.6
706E32.2Very low34.8Very low177 Ų177147.9 Ų147.983%0.82781%0.808SS**  trans-84.7175.1-175-51.6171.1115.900114.3
707Y30Very low34.7Very low203 Ų203145.9 Ų145.980%0.79681%0.805SS**  trans158.6126138.4-91.1-75.4000107.3
708L31.2Very low34.2Very low148 Ų148147.4 Ų147.478%0.77581%0.807SS**  73.9146.455.4-116.4175000114.6
709I32.1Very low34.2Very low151 Ų151146.8 Ų146.877%0.77481%0.806SS**  trans80.2146.9172.4-55.6166.5000115.6
710S30.5Very low33.4Very low83 Ų83148.5 Ų148.558%0.5881%0.808SS**  cis-176.3145.3-34.1-1710000111
711Q36.8Very low33.6Very low172 Ų172152.4 Ų152.480%0.80481%0.812SS**  trans54.2155.8148.8-81.4-178.360.400124.4
712S37Very low33.8Very low105 Ų105147.1 Ų147.173%0.73481%0.809SS**  trans68.8150.7151.463.90000119.7
713E37.8Very low34.2Very low197 Ų197149.3 Ų149.392%0.92182%0.815SS**  cis-171.9158.7-27.3-172165.5-16700107.1
714G35.8Very low34.4Very low64 Ų64148.3 Ų148.366%0.6682%0.82SS**  trans141126.3157.600000118.6
715V35.7Very low34.6Very low227 Ų227150.3 Ų150.3100%1.37682%0.824SS**  trans680162.7-163.90000116.8

Retrieved 715 of 715 residues in 216.7 ms (Link to these results)