A0A060WZU9_ONCMY Loading...

MANSC domain-containing protein

AlphaFold DB , UniProt , Accession A0A060WZU9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene wu:fa25f02, Length 401 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
1M54.7Low62.3Low149 Ų149107.2 Ų107.273%0.73459%0.588SS**  0-29.20-84.5-166.9168.900114.3L3 H4 L5 Y377 R381M1-L3 PolarHBondContact O-N 3.32Å; M1-H4 WeakPolarHBondContact O-CB 3.36Å; M1-H4 PolarHBondContact O-N 3.42Å; M1-L5 PolarHBondContact O-N 3.23Å; M1-Y377 PolarHBondContact SD-OH 3.48Å; M1-R381 PolarHBondContact SD-NH2 3.27Å
2T53Low62.6Low122 Ų122104.3 Ų104.375%0.74858%0.575SS**Hα-helixtrans-46.4-43.2171.639.90000113.9H4 L5 L6T2-H4 PolarHBondContact O-N 2.86Å; T2-L5 PolarHBondContact O-N 3.29Å; T2-L6 PolarHBondContact O-N 3.34Å; T2-L6 VanDerWaalsContact O-N 3.1Å
3L63Low62.4Low127 Ų127104 Ų10467%0.66557%0.572SS**Hα-helixtrans-55.1-34.9176.3-160.979.3000113.8M1 L7M1-L3 PolarHBondContact O-N 3.32Å; L3-L7 PolarHBondContact O-N 3.33Å
4H61.5Low62.1Low132 Ų13298.3 Ų98.361%0.61155%0.549SS*.Hα-helixtrans-78.3-34.2-177.6-146.928000111.4M1 T2 L6 L7 V8M1-H4 WeakPolarHBondContact O-CB 3.36Å; M1-H4 PolarHBondContact O-N 3.42Å; T2-H4 PolarHBondContact O-N 2.86Å; H4-L6 VanDerWaalsContact C-N 3.34Å; H4-L7 PolarHBondContact O-N 3.38Å; H4-V8 WeakPolarHBondContact O-CG2 3.46Å; H4-V8 PolarHBondContact O-N 2.92Å
5L58.5Low61.7Low106 Ų106100.3 Ų100.356%0.55556%0.557SS**Hα-helixtrans-64.2-40.9171.5-153.284000110.9M1 T2 V8 L9M1-L5 PolarHBondContact O-N 3.23Å; T2-L5 PolarHBondContact O-N 3.29Å; L5-V8 PolarHBondContact O-N 3.46Å; L5-L9 HydrophobicContact CG-CD1 4.16Å; L5-L9 WeakPolarHBondContact O-CD1 3.47Å; L5-L9 PolarHBondContact O-N 3.18Å
6L60.9Low61Low123 Ų12399.1 Ų99.164%0.64455%0.549SS*.Hα-helixtrans-62.3-43.6172.5-84.8163.5000112.2T2 H4 V8 L9 S10T2-L6 PolarHBondContact O-N 3.34Å; T2-L6 VanDerWaalsContact O-N 3.1Å; H4-L6 VanDerWaalsContact C-N 3.34Å; L6-V8 VanDerWaalsContact C-N 3.27Å; L6-V8 PolarHBondContact O-N 2.82Å; L6-L9 PolarHBondContact O-N 3.23Å; L6-S10 WeakPolarHBondContact O-CB 3.46Å; L6-S10 PolarHBondContact O-N 3.04Å
7L68.4Low60.4Low110 Ų11097.2 Ų97.258%0.57654%0.54SS*.Hα-helixtrans-65.8-24.5176.2-81.4164.8000114L3 H4 P11L3-L7 PolarHBondContact O-N 3.33Å; H4-L7 PolarHBondContact O-N 3.38Å; L7-P11 WeakPolarHBondContact O-CD 3.06Å
8V71.3Confident59.4Low94 Ų9496.8 Ų96.857%0.5754%0.536SS*.Hα-helixtrans-90.6-29.4176.5174.10000112.4H4 L5 L6H4-V8 WeakPolarHBondContact O-CG2 3.46Å; H4-V8 PolarHBondContact O-N 2.92Å; L5-V8 PolarHBondContact O-N 3.46Å; L6-V8 VanDerWaalsContact C-N 3.27Å; L6-V8 PolarHBondContact O-N 2.82Å
9L61.8Low58.7Low61 Ų6195.6 Ų95.632%0.31953%0.534SS..Hα-helixtrans-78.2-26.9169.2-92.379.3000112.8L5 L6 V12 L13L5-L9 HydrophobicContact CG-CD1 4.16Å; L5-L9 WeakPolarHBondContact O-CD1 3.47Å; L5-L9 PolarHBondContact O-N 3.18Å; L6-L9 PolarHBondContact O-N 3.23Å; L9-V12 CarbonylContact O-C 3.46Å; L9-V12 PolarHBondContact O-N 3.23Å; L9-L13 HydrophobicContact CB-CD1 4.49Å; L9-L13 HydrophobicContact CD2-CD1 4.29Å; L9-L13 PolarHBondContact O-N 2.77Å
10S65.7Low57.9Low78 Ų7895.7 Ų95.755%0.54554%0.54SS..Hα-helixtrans-57.6-39.9-176.8-174.60000113.9L6 V12 G14L6-S10 WeakPolarHBondContact O-CB 3.46Å; L6-S10 PolarHBondContact O-N 3.04Å; S10-V12 VanDerWaalsContact C-N 3.34Å; S10-V12 PolarHBondContact O-N 3.08Å; S10-G14 VanDerWaalsContact O-CA 3.22Å; S10-G14 WeakPolarHBondContact O-CA 3.45Å; S10-G14 PolarHBondContact O-N 3Å
11P66.4Low57.3Low77 Ų7797.8 Ų97.850%0.555%0.549SS..Hα-helixtrans-69.2-27.6171.5-21.534.1000114.1L7 L15L7-P11 WeakPolarHBondContact O-CD 3.06Å; P11-L15 WeakPolarHBondContact O-CB 3.07Å; P11-L15 WeakPolarHBondContact O-CG 3.22Å; P11-L15 PolarHBondContact O-N 2.9Å
12V66.4Low56.6Low72 Ų7294.7 Ų94.744%0.43654%0.542SS..Hα-helixtrans-84.3-46-177.3-176.50000111.2L9 S10 G14 L15 L16L9-V12 CarbonylContact O-C 3.46Å; L9-V12 PolarHBondContact O-N 3.23Å; S10-V12 VanDerWaalsContact C-N 3.34Å; S10-V12 PolarHBondContact O-N 3.08Å; V12-G14 PolarHBondContact O-N 3.39Å; V12-L15 PolarHBondContact O-N 2.04Å; V12-L16 VanDerWaalsContact O-CB 3.25Å; V12-L16 WeakPolarHBondContact O-CB 3.13Å; V12-L16 PolarHBondContact O-N 3.09Å
13L59.1Low56.2Low101 Ų10192.6 Ų92.653%0.52953%0.532SS..Hα-helixtrans-61.2-37.5164.3-97.365.9000110.2L9 L16 V17L9-L13 HydrophobicContact CB-CD1 4.49Å; L9-L13 HydrophobicContact CD2-CD1 4.29Å; L9-L13 PolarHBondContact O-N 2.77Å; L13-L16 PolarHBondContact O-N 2.85Å; L13-V17 VanDerWaalsContact O-CB 3.24Å; L13-V17 WeakPolarHBondContact O-CB 3.4Å; L13-V17 VanDerWaalsContact O-CG2 3.26Å; L13-V17 WeakPolarHBondContact O-CG2 3.34Å; L13-V17 PolarHBondContact O-N 3.38Å
14G59Low55.4Low24 Ų2494.2 Ų94.225%0.24754%0.536CS..Hα-helixtrans-52.1-57.8169.800000110.9S10 V12 L16 V17 L18S10-G14 VanDerWaalsContact O-CA 3.22Å; S10-G14 WeakPolarHBondContact O-CA 3.45Å; S10-G14 PolarHBondContact O-N 3Å; V12-G14 PolarHBondContact O-N 3.39Å; G14-L16 VanDerWaalsContact C-N 3.28Å; G14-L16 PolarHBondContact O-N 2.9Å; G14-V17 PolarHBondContact O-N 2.94Å; G14-L18 WeakPolarHBondContact O-CA 3.22Å; G14-L18 WeakPolarHBondContact O-CB 3.06Å; G14-L18 VanDerWaalsContact O-CD1 3.26Å; G14-L18 WeakPolarHBondContact O-CD1 3.05Å; G14-L18 PolarHBondContact O-N 3.34Å
15L55.6Low54.8Low129 Ų12994.2 Ų94.268%0.67555%0.545SS*.Hα-helixtrans-70.8-13179.4-79.8163.6000115.5P11 V12 P19P11-L15 WeakPolarHBondContact O-CB 3.07Å; P11-L15 WeakPolarHBondContact O-CG 3.22Å; P11-L15 PolarHBondContact O-N 2.9Å; V12-L15 PolarHBondContact O-N 2.04Å; L15-P19 WeakPolarHBondContact O-CD 3.49Å
16L51.5Low54.4Low81 Ų8192.4 Ų92.442%0.42455%0.545SS..Hα-helixtrans-103-19.3178.4-157143.1000112.6V12 L13 G14 P19 L366V12-L16 VanDerWaalsContact O-CB 3.25Å; V12-L16 WeakPolarHBondContact O-CB 3.13Å; V12-L16 PolarHBondContact O-N 3.09Å; L13-L16 PolarHBondContact O-N 2.85Å; G14-L16 VanDerWaalsContact C-N 3.28Å; G14-L16 PolarHBondContact O-N 2.9Å; L16-P19 WeakPolarHBondContact O-CG 3.45Å; L16-L366 HydrophobicContact CD1-CD1 4.39Å
17V50.2Low54.3Low66 Ų6688 Ų8840%0.452%0.524SS..Hα-helixtrans-101.3-20.3171.2-175.10000111.4L13 G14 C20 L21L13-V17 VanDerWaalsContact O-CB 3.24Å; L13-V17 WeakPolarHBondContact O-CB 3.4Å; L13-V17 VanDerWaalsContact O-CG2 3.26Å; L13-V17 WeakPolarHBondContact O-CG2 3.34Å; L13-V17 PolarHBondContact O-N 3.38Å; G14-V17 PolarHBondContact O-N 2.94Å; V17-C20 CarbonylContact O-C 3.59Å; V17-C20 WeakPolarHBondContact O-CA 3.01Å; V17-C20 WeakPolarHBondContact O-CB 2.97Å; V17-C20 PolarHBondContact O-N 3.37Å; V17-L21 HydrophobicContact CG1-CD1 3.72Å; V17-L21 HydrophobicContact CG1-CG 3.93Å; V17-L21 PolarHBondContact O-N 3.3Å
18L42.1Very low54.8Low91 Ų9188.2 Ų88.248%0.47652%0.523SS..Hα-helixtrans-57.9-42.1166.5-107.561.4000113G14 C20 L21 S22 S23G14-L18 WeakPolarHBondContact O-CA 3.22Å; G14-L18 WeakPolarHBondContact O-CB 3.06Å; G14-L18 VanDerWaalsContact O-CD1 3.26Å; G14-L18 WeakPolarHBondContact O-CD1 3.05Å; G14-L18 PolarHBondContact O-N 3.34Å; L18-C20 PolarHBondContact O-N 3.25Å; L18-L21 PolarHBondContact O-N 3.24Å; L18-S22 CarbonylContact O-C 3.54Å; L18-S22 WeakPolarHBondContact O-CA 3.42Å; L18-S22 WeakPolarHBondContact O-CB 3.36Å; L18-S22 PolarHBondContact O-N 3.41Å; L18-S23 PolarHBondContact O-N 3.49Å; L18-S23 VanDerWaalsContact O-N 3.12Å
19P47Very low55.7Low74 Ų7484.8 Ų84.848%0.48150%0.5SS..Hα-helixtrans-67.32.3170.225.8-34.8000114.1L15 L16 S23L15-P19 WeakPolarHBondContact O-CD 3.49Å; L16-P19 WeakPolarHBondContact O-CG 3.45Å; P19-S23 WeakPolarHBondContact O-CB 3.37Å; P19-S23 PolarHBondContact O-OG 3.47Å; P19-S23 VanDerWaalsContact O-OG 3.07Å
20C42.7Very low57.1Low97 Ų9785.2 Ų85.266%0.65551%0.508SS*.Hα-helixtrans-113.4-29.6170.2-57.20000113.7V17 L18V17-C20 CarbonylContact O-C 3.59Å; V17-C20 WeakPolarHBondContact O-CA 3.01Å; V17-C20 WeakPolarHBondContact O-CB 2.97Å; V17-C20 PolarHBondContact O-N 3.37Å; L18-C20 PolarHBondContact O-N 3.25Å
21L44.9Very low58.3Low140 Ų14084 Ų8473%0.73350%0.495SS*.Hα-helixtrans-97.1-23177.1-70.6173.7000113.9V17 L18V17-L21 HydrophobicContact CG1-CD1 3.72Å; V17-L21 HydrophobicContact CG1-CG 3.93Å; V17-L21 PolarHBondContact O-N 3.3Å; L18-L21 PolarHBondContact O-N 3.24Å
22S40.4Very low59.7Low83 Ų8383.5 Ų83.558%0.5849%0.49SS*.SBendtrans-124.211.9174.2-172.90000111L18 H24L18-S22 CarbonylContact O-C 3.54Å; L18-S22 WeakPolarHBondContact O-CA 3.42Å; L18-S22 WeakPolarHBondContact O-CB 3.36Å; L18-S22 PolarHBondContact O-N 3.41Å; S22-H24 PolarHBondContact O-N 3.12Å
23S44.2Very low61Low78 Ų7882.1 Ų82.155%0.54549%0.486SS..SBendtrans-52.3116131.8-119.50000105.5L18 P19L18-S23 PolarHBondContact O-N 3.49Å; L18-S23 VanDerWaalsContact O-N 3.12Å; P19-S23 WeakPolarHBondContact O-CB 3.37Å; P19-S23 PolarHBondContact O-OG 3.47Å; P19-S23 VanDerWaalsContact O-OG 3.07Å
24H45.9Very low62.8Low161 Ų16180.5 Ų80.575%0.74548%0.484SS*.  trans-39.7149.1-178.4-107.4-118.6000112S22 A26S22-H24 PolarHBondContact O-N 3.12Å; H24-A26 HydrophobicContact CB-CB 3.85Å; H24-A26 PolarHBondContact O-N 3.02Å
25V48.1Very low64.5Low133 Ų13384 Ų8481%0.80649%0.494SS*.  trans-66.575.5140.1-177.50000105.6S27V25-S27 PolarHBondContact O-N 3.34Å
26A50.1Low66.5Low68 Ų6883.2 Ų83.256%0.56249%0.494SS*.  trans-79.2105.6167.400000101.3H24 Q28H24-A26 HydrophobicContact CB-CB 3.85Å; H24-A26 PolarHBondContact O-N 3.02Å; A26-Q28 PolarHBondContact O-N 3.19Å; A26-Q28 VanDerWaalsContact O-N 3.16Å
27S58.9Low68.6Low29 Ų2981 Ų8120%0.20348%0.482CS..  trans-30.9115.5-166.6-65.50000112.3V25 F29 E87V25-S27 PolarHBondContact O-N 3.34Å; S27-F29 VanDerWaalsContact CB-CZ 3.46Å; S27-F29 PolarHBondContact O-N 3.13Å; S27-F29 VanDerWaalsContact OG-CE1 3.22Å; S27-F29 WeakPolarHBondContact OG-CE1 3.32Å; S27-F29 WeakPolarHBondContact OG-CZ 3.4Å; S27-E87 WeakPolarHBondContact CB-OE1 3.5Å; S27-E87 VanDerWaalsContact CB-OE2 3.27Å; S27-E87 WeakPolarHBondContact CB-OE2 3.37Å; S27-E87 PolarHBondContact OG-OE1 3.36Å; S27-E87 VanDerWaalsContact OG-OE1 3.13Å; S27-E87 PolarHBondContact OG-OE2 2.97Å
28Q80.2Confident70.8Confident116 Ų11684.5 Ų84.554%0.54250%0.503SS..SBendtrans-72.826.2169.3-61.1-172.329.700111.1A26 P71A26-Q28 PolarHBondContact O-N 3.19Å; A26-Q28 VanDerWaalsContact O-N 3.16Å; Q28-P71 WeakPolarHBondContact O-CD 3.31Å
29F88.5Confident73.3Confident22 Ų2285 Ų8510%0.09650%0.504CS..SBendtrans-134.8147.2175.864.3-98.4000108.5S27 I31 L68 T69 I79 L84 E87S27-F29 VanDerWaalsContact CB-CZ 3.46Å; S27-F29 PolarHBondContact O-N 3.13Å; S27-F29 VanDerWaalsContact OG-CE1 3.22Å; S27-F29 WeakPolarHBondContact OG-CE1 3.32Å; S27-F29 WeakPolarHBondContact OG-CZ 3.4Å; F29-I31 HydrophobicContact CE2-CG1 4.41Å; F29-L68 HydrophobicContact CB-CB 4.48Å; F29-L68 HydrophobicContact CD2-CD1 4.39Å; F29-L68 HydrophobicContact CD2-CD2 4.03Å; F29-L68 HydrophobicContact CE2-CD2 4.49Å; F29-T69 CarbonylContact C-O 3.55Å; F29-T69 WeakPolarHBondContact CA-O 3.3Å; F29-T69 WeakPolarHBondContact CB-O 3.38Å; F29-I79 HydrophobicContact CB-CD1 3.95Å; F29-I79 HydrophobicContact CD1-CD1 3.19Å; F29-I79 HydrophobicContact CD1-CG1 3.74Å; F29-I79 HydrophobicContact CD1-CG2 4.46Å; F29-I79 HydrophobicContact CD2-CD1 4.42Å; F29-I79 HydrophobicContact CE1-CB 4.46Å; F29-I79 HydrophobicContact CE1-CD1 3.68Å; F29-I79 HydrophobicContact CE1-CG1 3.77Å; F29-I79 HydrophobicContact CE1-CG2 3.82Å; F29-I79 HydrophobicContact CG-CD1 3.61Å; F29-I79 HydrophobicContact CZ-CD1 4.48Å; F29-I79 HydrophobicContact CZ-CG2 3.93Å; F29-L84 HydrophobicContact CD2-CD2 4.41Å; F29-L84 HydrophobicContact CE2-CD2 3.63Å; F29-L84 HydrophobicContact CE2-CG 4.5Å; F29-L84 HydrophobicContact CZ-CD2 4.14Å; F29-E87 VanDerWaalsContact CE2-OE2 3.3Å; F29-E87 WeakPolarHBondContact CE2-OE2 3.46Å; F29-E87 VanDerWaalsContact CZ-OE2 3.3Å; F29-E87 WeakPolarHBondContact CZ-OE2 3.06Å
30S91.1Very high75.6Confident70 Ų7087.5 Ų87.549%0.4951%0.509SS..EExtended strand (participates in β ladder)trans-120.3133.9171.4-177.70000109.9V32 L68 T69S30-V32 PolarHBondContact O-N 3.27Å; S30-V32 VanDerWaalsContact O-N 3.14Å; S30-L68 WeakPolarHBondContact O-CA 3.3Å; S30-T69 WeakPolarHBondContact CB-OG1 3.22Å; S30-T69 PolarHBondContact N-O 2.87Å; S30-T69 PolarHBondContact O-N 2.86Å; S30-T69 PolarHBondContact O-OG1 2.91Å
31I92.9Very high78.1Confident53 Ų5386.6 Ų86.627%0.27250%0.5SS..EExtended strand (participates in β ladder)trans-76.999.7177.5-52.3176.6000107.7F29 F66 L68 L84F29-I31 HydrophobicContact CE2-CG1 4.41Å; I31-F66 HydrophobicContact CG2-CD1 4.07Å; I31-L68 HydrophobicContact CB-CD2 4.38Å; I31-L68 HydrophobicContact CG1-CD2 3.85Å; I31-L84 HydrophobicContact CD1-CD2 3.86Å; I31-L84 HydrophobicContact CG1-CD2 4.05Å
32V94.3Very high80.6Confident66 Ų6683.8 Ų83.840%0.448%0.483SS..EExtended strand (participates in β ladder)trans-75-36.5-177.8-171.40000111S30 F67 T69S30-V32 PolarHBondContact O-N 3.27Å; S30-V32 VanDerWaalsContact O-N 3.14Å; V32-F67 PolarHBondContact N-O 2.81Å; V32-T69 HydrophobicContact CG2-CG2 3.75Å; V32-T69 WeakPolarHBondContact CG2-OG1 3.19Å
33A95.1Very high83.2Confident42 Ų4280 Ų8035%0.34746%0.457SS..EExtended strand (participates in β ladder)trans-157.4163.7179.600000111.2F67A33-F67 HydrophobicContact CB-CB 4.45Å; A33-F67 HydrophobicContact CB-CD2 3.81Å; A33-F67 PolarHBondContact O-N 3.18Å
34S95.3Very high85.7Confident68 Ų6879.7 Ų79.748%0.47645%0.454SS..EExtended strand (participates in β ladder)trans-136.8149.4163.863.30000110.1C65S34-C65 CarbonylContact C-O 3.49Å; S34-C65 WeakPolarHBondContact CA-O 3.45Å
35Q96.6Very high88.1Confident98 Ų9877.4 Ų77.446%0.45844%0.444SS..EExtended strand (participates in β ladder)trans-147.2134.9-177.3-170.517226.100110.8M37 C65 F67Q35-M37 HydrophobicContact CG-CE 4.41Å; Q35-M37 HydrophobicContact CG-CG 4.49Å; Q35-M37 VanDerWaalsContact OE1-CE 3.29Å; Q35-C65 PolarHBondContact N-O 3.47Å; Q35-C65 PolarHBondContact O-N 2.9Å; Q35-F67 HydrophobicContact CB-CE2 3.8Å; Q35-F67 HydrophobicContact CB-CZ 4.37Å
36T96.8Very high90.4Very high111 Ų11172 Ų7268%0.68141%0.413SS*.EExtended strand (participates in β ladder)trans-74.2127.3172.937.10000110.8S63T36-S63 CarbonylContact C-O 3.46Å; T36-S63 VanDerWaalsContact CA-O 3.26Å; T36-S63 WeakPolarHBondContact CA-O 3.34Å
37M95.8Very high92.6Very high36 Ų3669.2 Ų69.218%0.17739%0.39CS..  trans-142135.4-178.1-74.1-172.3161.100110.2Q35 E39 H42 A46 F58 S63 C65Q35-M37 HydrophobicContact CG-CE 4.41Å; Q35-M37 HydrophobicContact CG-CG 4.49Å; Q35-M37 VanDerWaalsContact OE1-CE 3.29Å; M37-E39 VanDerWaalsContact C-N 3.27Å; M37-E39 PolarHBondContact O-N 3.36Å; M37-H42 HydrophobicContact SD-CB 4.06Å; M37-A46 HydrophobicContact CE-CB 3.63Å; M37-A46 HydrophobicContact SD-CB 4.34Å; M37-F58 HydrophobicContact CB-CE2 4.47Å; M37-F58 WeakPolarHBondContact O-CE2 3.21Å; M37-S63 PolarHBondContact N-O 3.11Å; M37-S63 CarbonylContact O-C 3.19Å; M37-S63 WeakPolarHBondContact O-CB 3.42Å; M37-S63 VanDerWaalsContact O-O 3.06Å; M37-C65 HydrophobicContact SD-CB 4.4Å
38T95Very high94.4Very high138 Ų13872.9 Ų72.985%0.84742%0.415SS*.SBendtrans-73.9-15-176.6470000114.3
39E95Very high95.1Very high103 Ų10374.1 Ų74.148%0.48143%0.425SS..  trans-144.6140.6-169.9-160.9173.3-172.200111.6M37 T41 H42M37-E39 VanDerWaalsContact C-N 3.27Å; M37-E39 PolarHBondContact O-N 3.36Å; E39-T41 WeakPolarHBondContact CG-OG1 3.44Å; E39-T41 PolarHBondContact O-N 2.03Å; E39-H42 IonicContact OE2-CE1 3.68Å; E39-H42 PolarHBondContact OE2-CE1 3.47Å; E39-H42 VanDerWaalsContact OE2-CE1 3.23Å; E39-H42 IonicContact OE2-ND1 3.23Å
40Q95.1Very high95.1Very high126 Ų12675.8 Ų75.859%0.58944%0.435SS*.Hα-helixtrans-70.7-30-171.3-179.4171.3-7.500113.4C43 F58Q40-C43 WeakPolarHBondContact O-CB 3.32Å; Q40-C43 PolarHBondContact O-N 3.23Å; Q40-F58 HydrophobicContact CB-CD1 3.68Å; Q40-F58 HydrophobicContact CB-CE1 4.01Å; Q40-F58 HydrophobicContact CB-CG 4.06Å; Q40-F58 HydrophobicContact CG-CB 3.91Å; Q40-F58 HydrophobicContact CG-CD1 3.84Å; Q40-F58 HydrophobicContact CG-CG 4Å
41T95.8Very high95Very high78 Ų7881.9 Ų81.948%0.47946%0.458SS..Hα-helixtrans-59.2-46.8179.342.80000112.2E39 C43 S44 E45E39-T41 WeakPolarHBondContact CG-OG1 3.44Å; E39-T41 PolarHBondContact O-N 2.03Å; T41-C43 PolarHBondContact O-N 3.14Å; T41-S44 PolarHBondContact O-N 3.13Å; T41-S44 PolarHBondContact O-OG 3.16Å; T41-E45 PolarHBondContact O-N 3.24Å
42H96.9Very high95Very high80 Ų8082.7 Ų82.737%0.3747%0.465SS..Hα-helixtrans-65.3-21.9-179.7-56.8124.8000113.3M37 E39 E45 A46M37-H42 HydrophobicContact SD-CB 4.06Å; E39-H42 IonicContact OE2-CE1 3.68Å; E39-H42 PolarHBondContact OE2-CE1 3.47Å; E39-H42 VanDerWaalsContact OE2-CE1 3.23Å; E39-H42 IonicContact OE2-ND1 3.23Å; H42-E45 IonicContact CD2-OE2 3.73Å; H42-E45 PolarHBondContact O-N 2.82Å; H42-A46 VanDerWaalsContact O-CB 3.22Å; H42-A46 WeakPolarHBondContact O-CB 3.41Å; H42-A46 PolarHBondContact O-N 2.92Å
43C96.8Very high95.1Very high4 Ų480.5 Ų80.53%0.02745%0.453CS..Hα-helixtrans-65.8-44177178.60000112Q40 T41 C47 F58 C65Q40-C43 WeakPolarHBondContact O-CB 3.32Å; Q40-C43 PolarHBondContact O-N 3.23Å; T41-C43 PolarHBondContact O-N 3.14Å; C43-C47 WeakPolarHBondContact O-CB 3.49Å; C43-C47 PolarHBondContact O-N 2.02Å; C43-C47 VanDerWaalsContact O-N 3.14Å; C43-F58 HydrophobicContact CB-CB 4.33Å; C43-F58 HydrophobicContact CB-CD2 4.16Å; C43-C65 WeakPolarHBondContact CA-SG 3.44Å; C43-C65 HydrophobicContact CB-CB 3.72Å; C43-C65 WeakPolarHBondContact CB-SG 3.48Å; C43-C65 WeakPolarHBondContact SG-CB 3.39Å; C43-C65 CovalentContact SG-SG 2.03Å; C43-C65 PolarHBondContact SG-SG 3.08Å
44S94.9Very high95Very high71 Ų7183.5 Ų83.550%0.49746%0.463SS..Hα-helixtrans-68.9-34.5173.430.70000113.2T41 S48T41-S44 PolarHBondContact O-N 3.13Å; T41-S44 PolarHBondContact O-OG 3.16Å; S44-S48 PolarHBondContact O-N 3.17Å; S44-S48 VanDerWaalsContact O-N 3.08Å; S44-S48 PolarHBondContact O-OG 2.95Å
45E96.7Very high95Very high113 Ų11382.7 Ų82.753%0.52845%0.452SS..Hα-helixtrans-70.9-45178.2-171.8173.9-166.700111.5T41 H42 C47 S48 L49T41-E45 PolarHBondContact O-N 3.24Å; H42-E45 IonicContact CD2-OE2 3.73Å; H42-E45 PolarHBondContact O-N 2.82Å; E45-C47 VanDerWaalsContact C-N 3.3Å; E45-C47 PolarHBondContact O-N 3.28Å; E45-S48 CarbonylContact O-C 3.59Å; E45-S48 WeakPolarHBondContact O-CA 3.29Å; E45-S48 WeakPolarHBondContact O-CB 3.38Å; E45-S48 PolarHBondContact O-N 3.07Å; E45-L49 WeakPolarHBondContact O-CG 3.43Å; E45-L49 PolarHBondContact O-N 2.92Å
46A96.3Very high95Very high19 Ų1979.1 Ų79.116%0.15744%0.439CS..Hα-helixtrans-64.6-32.2175.600000113.2M37 H42 L49 N50 F67M37-A46 HydrophobicContact CE-CB 3.63Å; M37-A46 HydrophobicContact SD-CB 4.34Å; H42-A46 VanDerWaalsContact O-CB 3.22Å; H42-A46 WeakPolarHBondContact O-CB 3.41Å; H42-A46 PolarHBondContact O-N 2.92Å; A46-L49 PolarHBondContact O-N 2.91Å; A46-N50 PolarHBondContact O-N 2.84Å; A46-F67 HydrophobicContact CB-CE1 3.93Å; A46-F67 HydrophobicContact CB-CZ 3.86Å
47C96.5Very high95Very high11 Ų1174.6 Ų74.67%0.07441%0.411CS..Hα-helixtrans-62.1-48.3167.9-174.60000110.8C43 E45 L49 N50 C53 A56 F67C43-C47 WeakPolarHBondContact O-CB 3.49Å; C43-C47 PolarHBondContact O-N 2.02Å; C43-C47 VanDerWaalsContact O-N 3.14Å; E45-C47 VanDerWaalsContact C-N 3.3Å; E45-C47 PolarHBondContact O-N 3.28Å; C47-L49 PolarHBondContact O-N 3.14Å; C47-N50 PolarHBondContact O-N 3.1Å; C47-N50 VanDerWaalsContact O-O 3.1Å; C47-C53 VanDerWaalsContact CA-SG 3.53Å; C47-C53 HydrophobicContact CB-CB 3.97Å; C47-C53 WeakPolarHBondContact CB-SG 3.26Å; C47-C53 WeakPolarHBondContact O-CB 3.35Å; C47-C53 WeakPolarHBondContact SG-CB 3.26Å; C47-C53 CovalentContact SG-SG 2.04Å; C47-C53 PolarHBondContact SG-SG 2.75Å; C47-A56 HydrophobicContact CB-CB 3.6Å; C47-F67 HydrophobicContact CB-CD1 3.98Å; C47-F67 HydrophobicContact CB-CE1 4.17Å
48S96Very high95Very high105 Ų10574.3 Ų74.373%0.73441%0.409SS*.Hα-helixtrans-62.3-24.5179.4-51.70000113.7S44 E45S44-S48 PolarHBondContact O-N 3.17Å; S44-S48 VanDerWaalsContact O-N 3.08Å; S44-S48 PolarHBondContact O-OG 2.95Å; E45-S48 CarbonylContact O-C 3.59Å; E45-S48 WeakPolarHBondContact O-CA 3.29Å; E45-S48 WeakPolarHBondContact O-CB 3.38Å; E45-S48 PolarHBondContact O-N 3.07Å
49L95.4Very high95.1Very high143 Ų14369 Ų6975%0.74937%0.374SS*.Hα-helixtrans-82.9-15.2173.5-68.1171.8000113.7E45 A46 C47E45-L49 WeakPolarHBondContact O-CG 3.43Å; E45-L49 PolarHBondContact O-N 2.92Å; A46-L49 PolarHBondContact O-N 2.91Å; C47-L49 PolarHBondContact O-N 3.14Å
50N90Very high95.2Very high57 Ų5771.4 Ų71.431%0.30538%0.382SS..SBendtrans-102.9111.5-178.8-178.39.4000110.6A46 C47 T52 C53A46-N50 PolarHBondContact O-N 2.84Å; C47-N50 PolarHBondContact O-N 3.1Å; C47-N50 VanDerWaalsContact O-O 3.1Å; N50-T52 PolarHBondContact O-N 2.96Å; N50-T52 PolarHBondContact OD1-N 3.25Å; N50-T52 PolarHBondContact OD1-OG1 3.48Å; N50-T52 VanDerWaalsContact OD1-OG1 3.09Å; N50-C53 HydrophobicContact CB-CB 4.12Å; N50-C53 PolarHBondContact O-N 3.33Å
51M87.2Confident95.2Very high197 Ų19772.5 Ų72.597%0.9739%0.387SS*.THydrogen-bonded Turntrans-63.6-4.6-175.3-56.6-169.678.300115.3
52T94Very high95.1Very high70 Ų7074.2 Ų74.243%0.42939%0.388SS..THydrogen-bonded Turntrans-1107.1173.960.30000113.9N50 T69N50-T52 PolarHBondContact O-N 2.96Å; N50-T52 PolarHBondContact OD1-N 3.25Å; N50-T52 PolarHBondContact OD1-OG1 3.48Å; N50-T52 VanDerWaalsContact OD1-OG1 3.09Å; T52-T69 WeakPolarHBondContact O-CG2 3.48Å
53C95.3Very high95.1Very high20 Ų2073 Ų7314%0.13539%0.389CS..  trans-99109179.1-170.70000111.6C47 N50 H55 F67C47-C53 VanDerWaalsContact CA-SG 3.53Å; C47-C53 HydrophobicContact CB-CB 3.97Å; C47-C53 WeakPolarHBondContact CB-SG 3.26Å; C47-C53 WeakPolarHBondContact O-CB 3.35Å; C47-C53 WeakPolarHBondContact SG-CB 3.26Å; C47-C53 CovalentContact SG-SG 2.04Å; C47-C53 PolarHBondContact SG-SG 2.75Å; N50-C53 HydrophobicContact CB-CB 4.12Å; N50-C53 PolarHBondContact O-N 3.33Å; C53-H55 PolarHBondContact SG-O 3.32Å; C53-F67 HydrophobicContact CB-CB 4.49Å
54D94.6Very high95.1Very high106 Ų10673.7 Ų73.757%0.56739%0.393SS*.SBendtrans-85.4-32.6173.5-65.1-62.6000111.7L68 T69 C70D54-L68 PolarHBondContact N-O 3.47Å; D54-T69 VanDerWaalsContact OD2-CA 3.32Å; D54-T69 WeakPolarHBondContact OD2-CA 3.1Å; D54-C70 HydrophobicContact CB-CB 3.69Å; D54-C70 PolarHBondContact OD2-N 2.86Å
55H95.1Very high95.2Very high51 Ų5170.3 Ų70.324%0.23637%0.369CS..EExtended strand (participates in β ladder)trans-149.7152178.7-163.553.8000112C53 L68 C76C53-H55 PolarHBondContact SG-O 3.32Å; H55-L68 HydrophobicContact CB-CB 4.47Å; H55-L68 PolarHBondContact N-O 2.8Å; H55-L68 VanDerWaalsContact N-O 3.16Å; H55-L68 WeakPolarHBondContact O-CB 3.34Å; H55-L68 PolarHBondContact O-N 3.48Å; H55-C76 HydrophobicContact CB-CB 3.87Å; H55-C76 PolarHBondContact CD2-O 3.36Å
56A95.9Very high95.2Very high22 Ų2265 Ų6518%0.18234%0.344CS..EExtended strand (participates in β ladder)trans-136.5139.2176.400000112.6C47 F66 F67C47-A56 HydrophobicContact CB-CB 3.6Å; A56-F66 WeakPolarHBondContact CA-O 3.38Å; A56-F67 HydrophobicContact CB-CD1 4.01Å; A56-F67 HydrophobicContact CB-CE1 4.46Å
57V96.2Very high95.2Very high16 Ų1664.6 Ų64.610%0.09734%0.339CS..EExtended strand (participates in β ladder)trans-125.7123.6-174.4-179.90000109.8F66 L68 V81 L84V57-F66 PolarHBondContact N-O 3.08Å; V57-F66 PolarHBondContact O-N 3.26Å; V57-L68 HydrophobicContact CG2-CD1 3.98Å; V57-V81 HydrophobicContact CG1-CG2 3.75Å; V57-L84 HydrophobicContact CB-CD1 3.65Å; V57-L84 HydrophobicContact CG1-CD1 3.63Å; V57-L84 HydrophobicContact CG2-CD1 3.94Å
58F96.9Very high95.1Very high30 Ų3064 Ų6413%0.13234%0.335CS..EExtended strand (participates in β ladder)trans-94.1112.4-178.6-175.2-109.1000112M37 Q40 C43 K60M37-F58 HydrophobicContact CB-CE2 4.47Å; M37-F58 WeakPolarHBondContact O-CE2 3.21Å; Q40-F58 HydrophobicContact CB-CD1 3.68Å; Q40-F58 HydrophobicContact CB-CE1 4.01Å; Q40-F58 HydrophobicContact CB-CG 4.06Å; Q40-F58 HydrophobicContact CG-CB 3.91Å; Q40-F58 HydrophobicContact CG-CD1 3.84Å; Q40-F58 HydrophobicContact CG-CG 4Å; C43-F58 HydrophobicContact CB-CB 4.33Å; C43-F58 HydrophobicContact CB-CD2 4.16Å; F58-K60 HydrophobicContact CD1-CB 4.41Å; F58-K60 HydrophobicContact CE1-CB 4.23Å; F58-K60 HydrophobicContact CE1-CG 4.41Å; F58-K60 PolarHBondContact O-N 3.01Å
59W96.6Very high95.1Very high28 Ų2860.9 Ų60.911%0.10631%0.312CS..EExtended strand (participates in β ladder)trans-83100171.3-172.67000110.6E61 K62 S63 T64 F66 V81 I85W59-E61 PolarHBondContact NE1-OE2 3.01Å; W59-E61 PolarHBondContact O-N 2.87Å; W59-K62 HydrophobicContact CD2-CB 4.14Å; W59-K62 HydrophobicContact CD2-CD 4.12Å; W59-K62 HydrophobicContact CD2-CG 4.03Å; W59-K62 HydrophobicContact CE3-CB 4.29Å; W59-K62 HydrophobicContact CE3-CD 3.72Å; W59-K62 HydrophobicContact CE3-CG 4.14Å; W59-K62 HydrophobicContact CG-CB 4.42Å; W59-K62 HydrophobicContact CH2-CD 3.68Å; W59-K62 HydrophobicContact CH2-CG 4.31Å; W59-K62 HydrophobicContact CZ2-CD 4.01Å; W59-K62 HydrophobicContact CZ2-CG 4.12Å; W59-K62 HydrophobicContact CZ3-CD 3.52Å; W59-K62 HydrophobicContact CZ3-CG 4.31Å; W59-K62 VanDerWaalsContact CZ3-NZ 3.3Å; W59-K62 PolarHBondContact O-N 2.99Å; W59-S63 PolarHBondContact O-N 3.45Å; W59-T64 WeakPolarHBondContact CB-O 3.42Å; W59-T64 PolarHBondContact N-O 3.46Å; W59-T64 PolarHBondContact O-N 2.98Å; W59-T64 VanDerWaalsContact O-N 3.08Å; W59-F66 HydrophobicContact CB-CD2 4.48Å; W59-F66 HydrophobicContact CB-CE2 3.92Å; W59-F66 HydrophobicContact CD2-CE2 4.48Å; W59-F66 AromaticContact CE3-CE2 3.78Å; W59-F66 HydrophobicContact CE3-CE2 3.78Å; W59-F66 AromaticContact CE3-CZ 3.9Å; W59-F66 HydrophobicContact CE3-CZ 3.9Å; W59-F66 HydrophobicContact CZ3-CZ 4.44Å; W59-V81 HydrophobicContact CB-CG1 3.94Å; W59-V81 HydrophobicContact CD2-CG1 4.22Å; W59-V81 HydrophobicContact CG-CG1 3.7Å; W59-I85 HydrophobicContact CD2-CD1 4.4Å; W59-I85 HydrophobicContact CD2-CG1 4.33Å; W59-I85 HydrophobicContact CE3-CG1 4.23Å; W59-I85 HydrophobicContact CH2-CB 4.49Å; W59-I85 HydrophobicContact CH2-CD1 3.84Å; W59-I85 HydrophobicContact CH2-CG1 3.5Å; W59-I85 VanDerWaalsContact CH2-CG1 3.5Å; W59-I85 HydrophobicContact CH2-CG2 4.37Å; W59-I85 HydrophobicContact CZ2-CD1 3.43Å; W59-I85 VanDerWaalsContact CZ2-CD1 3.43Å; W59-I85 HydrophobicContact CZ2-CG1 3.66Å; W59-I85 HydrophobicContact CZ3-CD1 4.49Å; W59-I85 HydrophobicContact CZ3-CG1 3.81Å
60K96.2Very high94.9Very high152 Ų15254.6 Ų54.666%0.66128%0.279SS*.G310 helixtrans-61.3-41.7-174.8-170.4174.7-177.8175.90114.2F58 K62 S63F58-K60 HydrophobicContact CD1-CB 4.41Å; F58-K60 HydrophobicContact CE1-CB 4.23Å; F58-K60 HydrophobicContact CE1-CG 4.41Å; F58-K60 PolarHBondContact O-N 3.01Å; K60-K62 PolarHBondContact O-N 3.47Å; K60-S63 PolarHBondContact O-N 3.46Å
61E95.2Very high94.8Very high149 Ų14955 Ų5570%0.69629%0.286SS*.G310 helixtrans-68.7-21.4-175.9-64.566.2-141.800113.2W59W59-E61 PolarHBondContact NE1-OE2 3.01Å; W59-E61 PolarHBondContact O-N 2.87Å
62K95.3Very high94.5Very high115 Ų11552.5 Ų52.550%0.528%0.276SS..G310 helixtrans-113.45.2175.6-65.6-165.5-175.2168.70113.7W59 K60 T64W59-K62 HydrophobicContact CD2-CB 4.14Å; W59-K62 HydrophobicContact CD2-CD 4.12Å; W59-K62 HydrophobicContact CD2-CG 4.03Å; W59-K62 HydrophobicContact CE3-CB 4.29Å; W59-K62 HydrophobicContact CE3-CD 3.72Å; W59-K62 HydrophobicContact CE3-CG 4.14Å; W59-K62 HydrophobicContact CG-CB 4.42Å; W59-K62 HydrophobicContact CH2-CD 3.68Å; W59-K62 HydrophobicContact CH2-CG 4.31Å; W59-K62 HydrophobicContact CZ2-CD 4.01Å; W59-K62 HydrophobicContact CZ2-CG 4.12Å; W59-K62 HydrophobicContact CZ3-CD 3.52Å; W59-K62 HydrophobicContact CZ3-CG 4.31Å; W59-K62 VanDerWaalsContact CZ3-NZ 3.3Å; W59-K62 PolarHBondContact O-N 2.99Å; K60-K62 PolarHBondContact O-N 3.47Å; K62-T64 PolarHBondContact O-N 2.77Å; K62-T64 PolarHBondContact O-OG1 3.33Å
63S96.3Very high92.9Very high54 Ų5455.4 Ų55.438%0.37830%0.297SS..THydrogen-bonded Turntrans46.146.9-174.1-59.10000112.2T36 M37 W59 K60T36-S63 CarbonylContact C-O 3.46Å; T36-S63 VanDerWaalsContact CA-O 3.26Å; T36-S63 WeakPolarHBondContact CA-O 3.34Å; M37-S63 PolarHBondContact N-O 3.11Å; M37-S63 CarbonylContact O-C 3.19Å; M37-S63 WeakPolarHBondContact O-CB 3.42Å; M37-S63 VanDerWaalsContact O-O 3.06Å; W59-S63 PolarHBondContact O-N 3.45Å; K60-S63 PolarHBondContact O-N 3.46Å
64T96.8Very high91.9Very high19 Ų1957 Ų5712%0.11731%0.306CS..EExtended strand (participates in β ladder)trans-125.8123.8-171.3-57.80000110.7W59 K62 F66W59-T64 WeakPolarHBondContact CB-O 3.42Å; W59-T64 PolarHBondContact N-O 3.46Å; W59-T64 PolarHBondContact O-N 2.98Å; W59-T64 VanDerWaalsContact O-N 3.08Å; K62-T64 PolarHBondContact O-N 2.77Å; K62-T64 PolarHBondContact O-OG1 3.33Å; T64-F66 HydrophobicContact CG2-CE1 4.44Å; T64-F66 HydrophobicContact CG2-CE2 4.34Å; T64-F66 HydrophobicContact CG2-CZ 4.16Å
65C97.4Very high91.1Very high0 Ų058 Ų580%031%0.312CS..EExtended strand (participates in β ladder)trans-87.3133.6170.7-171.40000109.8S34 Q35 M37 C43 F67S34-C65 CarbonylContact C-O 3.49Å; S34-C65 WeakPolarHBondContact CA-O 3.45Å; Q35-C65 PolarHBondContact N-O 3.47Å; Q35-C65 PolarHBondContact O-N 2.9Å; M37-C65 HydrophobicContact SD-CB 4.4Å; C43-C65 WeakPolarHBondContact CA-SG 3.44Å; C43-C65 HydrophobicContact CB-CB 3.72Å; C43-C65 WeakPolarHBondContact CB-SG 3.48Å; C43-C65 WeakPolarHBondContact SG-CB 3.39Å; C43-C65 CovalentContact SG-SG 2.03Å; C43-C65 PolarHBondContact SG-SG 3.08Å; C65-F67 HydrophobicContact CB-CZ 4.17Å; C65-F67 WeakPolarHBondContact SG-CE1 3.41Å; C65-F67 VanDerWaalsContact SG-CZ 3.58Å
66F96.5Very high90.8Very high2 Ų256.1 Ų56.11%0.00930%0.304CS..EExtended strand (participates in β ladder)trans-107.2133.2168-64.4-80.4000109.6I31 A56 V57 W59 T64 L68 L84 H88I31-F66 HydrophobicContact CG2-CD1 4.07Å; A56-F66 WeakPolarHBondContact CA-O 3.38Å; V57-F66 PolarHBondContact N-O 3.08Å; V57-F66 PolarHBondContact O-N 3.26Å; W59-F66 HydrophobicContact CB-CD2 4.48Å; W59-F66 HydrophobicContact CB-CE2 3.92Å; W59-F66 HydrophobicContact CD2-CE2 4.48Å; W59-F66 AromaticContact CE3-CE2 3.78Å; W59-F66 HydrophobicContact CE3-CE2 3.78Å; W59-F66 AromaticContact CE3-CZ 3.9Å; W59-F66 HydrophobicContact CE3-CZ 3.9Å; W59-F66 HydrophobicContact CZ3-CZ 4.44Å; T64-F66 HydrophobicContact CG2-CE1 4.44Å; T64-F66 HydrophobicContact CG2-CE2 4.34Å; T64-F66 HydrophobicContact CG2-CZ 4.16Å; F66-L68 HydrophobicContact CB-CD2 4.34Å; F66-L84 HydrophobicContact CD2-CD1 4.49Å; F66-H88 AromaticContact CE1-CD2 3.86Å
67F96.3Very high90.2Very high9 Ų959.1 Ų59.14%0.03932%0.324CS..EExtended strand (participates in β ladder)trans-107.5126179.6-55.5-72.7000109.8V32 A33 Q35 A46 C47 C53 A56 C65V32-F67 PolarHBondContact N-O 2.81Å; A33-F67 HydrophobicContact CB-CB 4.45Å; A33-F67 HydrophobicContact CB-CD2 3.81Å; A33-F67 PolarHBondContact O-N 3.18Å; Q35-F67 HydrophobicContact CB-CE2 3.8Å; Q35-F67 HydrophobicContact CB-CZ 4.37Å; A46-F67 HydrophobicContact CB-CE1 3.93Å; A46-F67 HydrophobicContact CB-CZ 3.86Å; C47-F67 HydrophobicContact CB-CD1 3.98Å; C47-F67 HydrophobicContact CB-CE1 4.17Å; C53-F67 HydrophobicContact CB-CB 4.49Å; A56-F67 HydrophobicContact CB-CD1 4.01Å; A56-F67 HydrophobicContact CB-CE1 4.46Å; C65-F67 HydrophobicContact CB-CZ 4.17Å; C65-F67 WeakPolarHBondContact SG-CE1 3.41Å; C65-F67 VanDerWaalsContact SG-CZ 3.58Å
68L95.1Very high89.8Confident0 Ų063.4 Ų63.40%036%0.355CS..EExtended strand (participates in β ladder)trans-119.9132.8-167.5-48.3179.4000110.8F29 S30 I31 D54 H55 V57 F66 I79 L84F29-L68 HydrophobicContact CB-CB 4.48Å; F29-L68 HydrophobicContact CD2-CD1 4.39Å; F29-L68 HydrophobicContact CD2-CD2 4.03Å; F29-L68 HydrophobicContact CE2-CD2 4.49Å; S30-L68 WeakPolarHBondContact O-CA 3.3Å; I31-L68 HydrophobicContact CB-CD2 4.38Å; I31-L68 HydrophobicContact CG1-CD2 3.85Å; D54-L68 PolarHBondContact N-O 3.47Å; H55-L68 HydrophobicContact CB-CB 4.47Å; H55-L68 PolarHBondContact N-O 2.8Å; H55-L68 VanDerWaalsContact N-O 3.16Å; H55-L68 WeakPolarHBondContact O-CB 3.34Å; H55-L68 PolarHBondContact O-N 3.48Å; V57-L68 HydrophobicContact CG2-CD1 3.98Å; F66-L68 HydrophobicContact CB-CD2 4.34Å; L68-I79 HydrophobicContact CD1-CD1 3.82Å; L68-L84 HydrophobicContact CD1-CD2 4.34Å; L68-L84 HydrophobicContact CD2-CD2 3.72Å
69T94.4Very high89.4Confident39 Ų3963.1 Ų63.124%0.23935%0.354CS..EExtended strand (participates in β ladder)trans-85.5148.2158.5280000109.4F29 S30 V32 T52 D54F29-T69 CarbonylContact C-O 3.55Å; F29-T69 WeakPolarHBondContact CA-O 3.3Å; F29-T69 WeakPolarHBondContact CB-O 3.38Å; S30-T69 WeakPolarHBondContact CB-OG1 3.22Å; S30-T69 PolarHBondContact N-O 2.87Å; S30-T69 PolarHBondContact O-N 2.86Å; S30-T69 PolarHBondContact O-OG1 2.91Å; V32-T69 HydrophobicContact CG2-CG2 3.75Å; V32-T69 WeakPolarHBondContact CG2-OG1 3.19Å; T52-T69 WeakPolarHBondContact O-CG2 3.48Å; D54-T69 VanDerWaalsContact OD2-CA 3.32Å; D54-T69 WeakPolarHBondContact OD2-CA 3.1Å
70C92.6Very high89.1Confident10 Ų1064 Ų647%0.06837%0.368CS..  trans-131.769.5-174.5-64.70000110.8D54 N72 C73 C76D54-C70 HydrophobicContact CB-CB 3.69Å; D54-C70 PolarHBondContact OD2-N 2.86Å; C70-N72 PolarHBondContact O-N 3.19Å; C70-C73 PolarHBondContact O-N 2.89Å; C70-C76 HydrophobicContact CB-CB 4.17Å; C70-C76 WeakPolarHBondContact CB-SG 3.27Å; C70-C76 WeakPolarHBondContact SG-CB 3.45Å; C70-C76 CovalentContact SG-SG 2.02Å; C70-C76 PolarHBondContact SG-SG 3.4Å
71P86.8Confident89Confident67 Ų6758.9 Ų58.944%0.43535%0.349SS..G310 helixtrans-50.5138.1-177.819.5-34000113.1Q28 T74Q28-P71 WeakPolarHBondContact O-CD 3.31Å; P71-T74 PolarHBondContact O-OG1 3.35Å
72N80.8Confident88.7Confident144 Ų14454.5 Ų54.577%0.7734%0.338SS*.G310 helixtrans6921.3-178.2-43.2-69.8000116C70 T74C70-N72 PolarHBondContact O-N 3.19Å; N72-T74 PolarHBondContact O-N 3.09Å; N72-T74 VanDerWaalsContact O-N 3.13Å
73C60.2Low88.4Confident130 Ų13051.5 Ų51.588%0.87833%0.328SS*.G310 helixtrans6021.2174.7-56.40000114.4C70C70-C73 PolarHBondContact O-N 2.89Å
74T74.8Confident88Confident53 Ų5349 Ų4933%0.32531%0.31SS..  trans-69.7138.7175.349.70000110.5P71 N72 C76P71-T74 PolarHBondContact O-OG1 3.35Å; N72-T74 PolarHBondContact O-N 3.09Å; N72-T74 VanDerWaalsContact O-N 3.13Å; T74-C76 PolarHBondContact O-N 3.45Å
75N78.2Confident87.7Confident127 Ų12750.5 Ų50.568%0.67932%0.317SS*.  trans-75.789.1-163.7-166.8-14.2000112.9S77N75-S77 PolarHBondContact O-N 3.37Å; N75-S77 VanDerWaalsContact OD1-CB 3.26Å; N75-S77 WeakPolarHBondContact OD1-CB 3.24Å; N75-S77 PolarHBondContact OD1-N 2.84Å; N75-S77 PolarHBondContact OD1-OG 3.37Å; N75-S77 VanDerWaalsContact OD1-OG 3.13Å
76C87.9Confident87.1Confident12 Ų1258.1 Ų58.18%0.08135%0.346CS..G310 helixtrans-59.3-8.4178.2-79.50000115.8H55 C70 T74 S78 I79H55-C76 HydrophobicContact CB-CB 3.87Å; H55-C76 PolarHBondContact CD2-O 3.36Å; C70-C76 HydrophobicContact CB-CB 4.17Å; C70-C76 WeakPolarHBondContact CB-SG 3.27Å; C70-C76 WeakPolarHBondContact SG-CB 3.45Å; C70-C76 CovalentContact SG-SG 2.02Å; C70-C76 PolarHBondContact SG-SG 3.4Å; T74-C76 PolarHBondContact O-N 3.45Å; C76-S78 PolarHBondContact O-N 2.98Å; C76-I79 HydrophobicContact CB-CD1 3.64Å; C76-I79 WeakPolarHBondContact O-CD1 3.31Å; C76-I79 VanDerWaalsContact O-CG1 3.29Å; C76-I79 WeakPolarHBondContact O-CG1 3.49Å; C76-I79 PolarHBondContact O-N 2.99Å; C76-I79 VanDerWaalsContact O-N 3.11Å
77S84.9Confident86.4Confident85 Ų8561.4 Ų61.459%0.59436%0.361SS*.G310 helixtrans-65.1-5.5-179.2-61.30000114.5N75N75-S77 PolarHBondContact O-N 3.37Å; N75-S77 VanDerWaalsContact OD1-CB 3.26Å; N75-S77 WeakPolarHBondContact OD1-CB 3.24Å; N75-S77 PolarHBondContact OD1-N 2.84Å; N75-S77 PolarHBondContact OD1-OG 3.37Å; N75-S77 VanDerWaalsContact OD1-OG 3.13Å
78S87Confident85.6Confident106 Ų10664 Ų6474%0.74137%0.373SS*.G310 helixtrans-96.90.6174.667.30000114.9C76 A80C76-S78 PolarHBondContact O-N 2.98Å; S78-A80 PolarHBondContact O-N 3.4Å
79I89.4Confident84.8Confident24 Ų2470.8 Ų70.812%0.12341%0.405CS..  trans-73.9120-178.9-60.7161.1000109.3F29 L68 C76 D83 L84F29-I79 HydrophobicContact CB-CD1 3.95Å; F29-I79 HydrophobicContact CD1-CD1 3.19Å; F29-I79 HydrophobicContact CD1-CG1 3.74Å; F29-I79 HydrophobicContact CD1-CG2 4.46Å; F29-I79 HydrophobicContact CD2-CD1 4.42Å; F29-I79 HydrophobicContact CE1-CB 4.46Å; F29-I79 HydrophobicContact CE1-CD1 3.68Å; F29-I79 HydrophobicContact CE1-CG1 3.77Å; F29-I79 HydrophobicContact CE1-CG2 3.82Å; F29-I79 HydrophobicContact CG-CD1 3.61Å; F29-I79 HydrophobicContact CZ-CD1 4.48Å; F29-I79 HydrophobicContact CZ-CG2 3.93Å; L68-I79 HydrophobicContact CD1-CD1 3.82Å; C76-I79 HydrophobicContact CB-CD1 3.64Å; C76-I79 WeakPolarHBondContact O-CD1 3.31Å; C76-I79 VanDerWaalsContact O-CG1 3.29Å; C76-I79 WeakPolarHBondContact O-CG1 3.49Å; C76-I79 PolarHBondContact O-N 2.99Å; C76-I79 VanDerWaalsContact O-N 3.11Å; I79-D83 HydrophobicContact CG2-CB 4.45Å; I79-L84 HydrophobicContact CG2-CD1 4Å; I79-L84 HydrophobicContact CG2-CG 3.96Å
80A90.3Very high83.8Confident47 Ų4773 Ų7339%0.38842%0.419SS..  trans-85.6153176.300000111.3S78 A82 D83 L84S78-A80 PolarHBondContact O-N 3.4Å; A80-A82 PolarHBondContact O-N 3.13Å; A80-A82 VanDerWaalsContact O-N 3.13Å; A80-D83 WeakPolarHBondContact CB-OD2 3.39Å; A80-D83 PolarHBondContact N-OD2 2.98Å; A80-D83 WeakPolarHBondContact O-CB 3.37Å; A80-D83 PolarHBondContact O-N 2.93Å; A80-L84 PolarHBondContact O-N 3.46Å
81V92.3Very high82.2Confident44 Ų4476.7 Ų76.727%0.26744%0.437SS..Hα-helixtrans-53.3-35.1170.7-173.10000110.9V57 W59 D83 L84 I85V57-V81 HydrophobicContact CG1-CG2 3.75Å; W59-V81 HydrophobicContact CB-CG1 3.94Å; W59-V81 HydrophobicContact CD2-CG1 4.22Å; W59-V81 HydrophobicContact CG-CG1 3.7Å; V81-D83 PolarHBondContact O-N 3.27Å; V81-L84 PolarHBondContact O-N 3.39Å; V81-I85 HydrophobicContact CG1-CD1 3.96Å; V81-I85 HydrophobicContact CG1-CG1 4.3Å; V81-I85 WeakPolarHBondContact O-CG1 3.4Å; V81-I85 PolarHBondContact O-N 3.47Å
82A89.9Confident80.8Confident57 Ų5778 Ų7847%0.47144%0.44SS..Hα-helixtrans-65.8-17.1177.500000114.9A80 R86A80-A82 PolarHBondContact O-N 3.13Å; A80-A82 VanDerWaalsContact O-N 3.13Å; A82-R86 WeakPolarHBondContact O-CG 3.26Å; A82-R86 PolarHBondContact O-NE 3.27Å; A82-R86 VanDerWaalsContact O-NE 3.08Å
83D87.9Confident79.2Confident53 Ų5373.2 Ų73.228%0.28342%0.418SS..Hα-helixtrans-84.5-50.2175.3-54.3-41.3000109.5I79 A80 V81 I85 R86 E87I79-D83 HydrophobicContact CG2-CB 4.45Å; A80-D83 WeakPolarHBondContact CB-OD2 3.39Å; A80-D83 PolarHBondContact N-OD2 2.98Å; A80-D83 WeakPolarHBondContact O-CB 3.37Å; A80-D83 PolarHBondContact O-N 2.93Å; V81-D83 PolarHBondContact O-N 3.27Å; D83-I85 VanDerWaalsContact C-N 3.27Å; D83-I85 PolarHBondContact O-N 3.33Å; D83-R86 PolarHBondContact O-N 2.59Å; D83-R86 IonicContact OD1-CZ 2.65Å; D83-R86 IonicContact OD1-NH2 3.68Å; D83-R86 PolarHBondContact OD1-NH2 2.95Å; D83-E87 PolarHBondContact O-N 3Å; D83-E87 VanDerWaalsContact O-N 3.14Å
84L89.4Confident78.2Confident0 Ų070.2 Ų70.20%040%0.395CS..Hα-helixtrans-55.2-38.8174.3-69.7157.3000112.6F29 I31 V57 F66 L68 I79 A80 V81 E87 H88F29-L84 HydrophobicContact CD2-CD2 4.41Å; F29-L84 HydrophobicContact CE2-CD2 3.63Å; F29-L84 HydrophobicContact CE2-CG 4.5Å; F29-L84 HydrophobicContact CZ-CD2 4.14Å; I31-L84 HydrophobicContact CD1-CD2 3.86Å; I31-L84 HydrophobicContact CG1-CD2 4.05Å; V57-L84 HydrophobicContact CB-CD1 3.65Å; V57-L84 HydrophobicContact CG1-CD1 3.63Å; V57-L84 HydrophobicContact CG2-CD1 3.94Å; F66-L84 HydrophobicContact CD2-CD1 4.49Å; L68-L84 HydrophobicContact CD1-CD2 4.34Å; L68-L84 HydrophobicContact CD2-CD2 3.72Å; I79-L84 HydrophobicContact CG2-CD1 4Å; I79-L84 HydrophobicContact CG2-CG 3.96Å; A80-L84 PolarHBondContact O-N 3.46Å; V81-L84 PolarHBondContact O-N 3.39Å; L84-E87 PolarHBondContact O-N 3.49Å; L84-H88 WeakPolarHBondContact O-CB 3.2Å; L84-H88 PolarHBondContact O-N 3.16Å
85I89Confident76.3Confident52 Ų5275.1 Ų75.127%0.26741%0.412SS..Hα-helixtrans-60-47.1175.4-70.9168.9000111.4W59 V81 D83 E87 E89W59-I85 HydrophobicContact CD2-CD1 4.4Å; W59-I85 HydrophobicContact CD2-CG1 4.33Å; W59-I85 HydrophobicContact CE3-CG1 4.23Å; W59-I85 HydrophobicContact CH2-CB 4.49Å; W59-I85 HydrophobicContact CH2-CD1 3.84Å; W59-I85 HydrophobicContact CH2-CG1 3.5Å; W59-I85 VanDerWaalsContact CH2-CG1 3.5Å; W59-I85 HydrophobicContact CH2-CG2 4.37Å; W59-I85 HydrophobicContact CZ2-CD1 3.43Å; W59-I85 VanDerWaalsContact CZ2-CD1 3.43Å; W59-I85 HydrophobicContact CZ2-CG1 3.66Å; W59-I85 HydrophobicContact CZ3-CD1 4.49Å; W59-I85 HydrophobicContact CZ3-CG1 3.81Å; V81-I85 HydrophobicContact CG1-CD1 3.96Å; V81-I85 HydrophobicContact CG1-CG1 4.3Å; V81-I85 WeakPolarHBondContact O-CG1 3.4Å; V81-I85 PolarHBondContact O-N 3.47Å; D83-I85 VanDerWaalsContact C-N 3.27Å; D83-I85 PolarHBondContact O-N 3.33Å; I85-E87 VanDerWaalsContact C-N 3.34Å; I85-E87 PolarHBondContact O-N 3.22Å; I85-E89 WeakPolarHBondContact O-CB 3.43Å; I85-E89 PolarHBondContact O-N 2.78Å
86R86.1Confident74.3Confident160 Ų16077 Ų7760%0.60441%0.414SS*.Hα-helixtrans-65.5-39.5-177.4-72.3-177.1-76167.8-3.8111.5A82 D83 T90A82-R86 WeakPolarHBondContact O-CG 3.26Å; A82-R86 PolarHBondContact O-NE 3.27Å; A82-R86 VanDerWaalsContact O-NE 3.08Å; D83-R86 PolarHBondContact O-N 2.59Å; D83-R86 IonicContact OD1-CZ 2.65Å; D83-R86 IonicContact OD1-NH2 3.68Å; D83-R86 PolarHBondContact OD1-NH2 2.95Å; R86-T90 WeakPolarHBondContact O-CB 3.41Å; R86-T90 PolarHBondContact O-N 3.13Å; R86-T90 PolarHBondContact O-OG1 2.81Å
87E82.1Confident71.9Confident70 Ų7083.9 Ų83.933%0.32744%0.439SS..Hα-helixtrans-70.9-47.2179.4-165.3149.6-13800111.8S27 F29 D83 L84 I85 E89 T90 D91S27-E87 WeakPolarHBondContact CB-OE1 3.5Å; S27-E87 VanDerWaalsContact CB-OE2 3.27Å; S27-E87 WeakPolarHBondContact CB-OE2 3.37Å; S27-E87 PolarHBondContact OG-OE1 3.36Å; S27-E87 VanDerWaalsContact OG-OE1 3.13Å; S27-E87 PolarHBondContact OG-OE2 2.97Å; F29-E87 VanDerWaalsContact CE2-OE2 3.3Å; F29-E87 WeakPolarHBondContact CE2-OE2 3.46Å; F29-E87 VanDerWaalsContact CZ-OE2 3.3Å; F29-E87 WeakPolarHBondContact CZ-OE2 3.06Å; D83-E87 PolarHBondContact O-N 3Å; D83-E87 VanDerWaalsContact O-N 3.14Å; L84-E87 PolarHBondContact O-N 3.49Å; I85-E87 VanDerWaalsContact C-N 3.34Å; I85-E87 PolarHBondContact O-N 3.22Å; E87-E89 PolarHBondContact O-N 3.45Å; E87-T90 WeakPolarHBondContact O-CA 3.37Å; E87-T90 WeakPolarHBondContact O-CB 3.4Å; E87-T90 PolarHBondContact O-N 2.83Å; E87-T90 VanDerWaalsContact O-N 3.09Å; E87-D91 PolarHBondContact O-N 2.94Å
88H78.1Confident69.5Low65 Ų6586.7 Ų86.730%0.30145%0.447SS..Hα-helixtrans-63-36176.6-178.9-76.3000113.2F66 L84 I92F66-H88 AromaticContact CE1-CD2 3.86Å; L84-H88 WeakPolarHBondContact O-CB 3.2Å; L84-H88 PolarHBondContact O-N 3.16Å; H88-I92 WeakPolarHBondContact CE1-CD1 3.37Å; H88-I92 WeakPolarHBondContact O-CG1 3.4Å; H88-I92 PolarHBondContact O-N 3.47Å
89E78.8Confident67.3Low142 Ų14285.8 Ų85.866%0.66445%0.446SS*.Hα-helixtrans-71.5-33.8172.8-173.5163.8-150.900112.1I85 E87 S93I85-E89 WeakPolarHBondContact O-CB 3.43Å; I85-E89 PolarHBondContact O-N 2.78Å; E87-E89 PolarHBondContact O-N 3.45Å; E89-S93 PolarHBondContact O-N 2.65Å
90T73.3Confident64.7Low86 Ų8692.9 Ų92.953%0.52848%0.476SS..Hα-helixtrans-65.8-45.8175-60.20000111.4R86 E87 S93 V94R86-T90 WeakPolarHBondContact O-CB 3.41Å; R86-T90 PolarHBondContact O-N 3.13Å; R86-T90 PolarHBondContact O-OG1 2.81Å; E87-T90 WeakPolarHBondContact O-CA 3.37Å; E87-T90 WeakPolarHBondContact O-CB 3.4Å; E87-T90 PolarHBondContact O-N 2.83Å; E87-T90 VanDerWaalsContact O-N 3.09Å; T90-S93 WeakPolarHBondContact O-CA 3.2Å; T90-S93 WeakPolarHBondContact O-CB 3.22Å; T90-S93 PolarHBondContact O-N 2.89Å; T90-S93 PolarHBondContact O-OG 3.41Å; T90-V94 PolarHBondContact O-N 2.98Å
91D58.7Low61.9Low86 Ų8698.2 Ų98.246%0.4649%0.493SS..Hα-helixtrans-71-39.9-176.8-164.933.4000112.5E87 S93 V94 F95E87-D91 PolarHBondContact O-N 2.94Å; D91-S93 PolarHBondContact O-N 2.98Å; D91-V94 WeakPolarHBondContact O-CA 3.37Å; D91-V94 WeakPolarHBondContact O-CB 3.43Å; D91-V94 PolarHBondContact O-N 3.38Å; D91-F95 WeakPolarHBondContact O-CD2 3.23Å; D91-F95 PolarHBondContact O-N 3.14Å; D91-F95 VanDerWaalsContact O-N 3.12Å
92I57.8Low59Low96 Ų96102.4 Ų102.449%0.49252%0.518SS..Hα-helixtrans-57.5-31.6168.2-72.8178.6000111.5H88 V94 K96H88-I92 WeakPolarHBondContact CE1-CD1 3.37Å; H88-I92 WeakPolarHBondContact O-CG1 3.4Å; H88-I92 PolarHBondContact O-N 3.47Å; I92-V94 VanDerWaalsContact C-N 3.3Å; I92-V94 PolarHBondContact O-N 2.99Å; I92-K96 VanDerWaalsContact O-CB 3.23Å; I92-K96 WeakPolarHBondContact O-CB 3.42Å; I92-K96 PolarHBondContact O-N 2.67Å
93S46.4Very low56.3Low43 Ų43105 Ų10530%0.30153%0.53SS..Hα-helixtrans-69.6-25.2173.693.80000113.5E89 T90 D91 R97E89-S93 PolarHBondContact O-N 2.65Å; T90-S93 WeakPolarHBondContact O-CA 3.2Å; T90-S93 WeakPolarHBondContact O-CB 3.22Å; T90-S93 PolarHBondContact O-N 2.89Å; T90-S93 PolarHBondContact O-OG 3.41Å; D91-S93 PolarHBondContact O-N 2.98Å; S93-R97 WeakPolarHBondContact O-CG 3.38Å; S93-R97 PolarHBondContact O-NH1 3.08Å; S93-R97 PolarHBondContact O-NH2 2.77Å; S93-R97 PolarHBondContact OG-NH2 3.25Å
94V40.1Very low53.7Low67 Ų67111.4 Ų111.441%0.40656%0.558SS.*Hα-helixtrans-75.2-59.6175.9178.60000109.7T90 D91 I92 K96 R97T90-V94 PolarHBondContact O-N 2.98Å; D91-V94 WeakPolarHBondContact O-CA 3.37Å; D91-V94 WeakPolarHBondContact O-CB 3.43Å; D91-V94 PolarHBondContact O-N 3.38Å; I92-V94 VanDerWaalsContact C-N 3.3Å; I92-V94 PolarHBondContact O-N 2.99Å; V94-K96 PolarHBondContact O-N 3.05Å; V94-R97 PolarHBondContact O-N 3.27Å
95F34Very low51Low156 Ų156116.9 Ų116.968%0.68460%0.597SS**Hα-helixtrans-57.3-21179.1-75.7-77.5000114.2D91D91-F95 WeakPolarHBondContact O-CD2 3.23Å; D91-F95 PolarHBondContact O-N 3.14Å; D91-F95 VanDerWaalsContact O-N 3.12Å
96K36.7Very low48.4Very low166 Ų166120.1 Ų120.172%0.72262%0.623SS**THydrogen-bonded Turntrans-84.5-8.5177-162.5167.9-176.21770114.8I92 V94I92-K96 VanDerWaalsContact O-CB 3.23Å; I92-K96 WeakPolarHBondContact O-CB 3.42Å; I92-K96 PolarHBondContact O-N 2.67Å; V94-K96 PolarHBondContact O-N 3.05Å
97R37.2Very low45.9Very low157 Ų157118.4 Ų118.459%0.59264%0.636SS**THydrogen-bonded Turntrans-81.3-30.6179.7-73.6-175.7-159.992.914.3114S93 V94 A99S93-R97 WeakPolarHBondContact O-CG 3.38Å; S93-R97 PolarHBondContact O-NH1 3.08Å; S93-R97 PolarHBondContact O-NH2 2.77Å; S93-R97 PolarHBondContact OG-NH2 3.25Å; V94-R97 PolarHBondContact O-N 3.27Å; R97-A99 PolarHBondContact O-N 2.91Å
98D36Very low43.6Very low144 Ų144120.6 Ų120.677%0.7766%0.659SS**SBendtrans-76-11.2-178.4-60.3-59.1000113.4K100D98-K100 VanDerWaalsContact C-N 3.31Å; D98-K100 PolarHBondContact O-N 3.17Å; D98-K100 VanDerWaalsContact O-N 3.11Å
99A38.8Very low41.4Very low87 Ų87124.5 Ų124.572%0.71969%0.687SS**  trans-84.855.9175.600000113.1R97R97-A99 PolarHBondContact O-N 2.91Å
100K35Very low39.1Very low172 Ų172124 Ų12475%0.74869%0.694SS**  trans-118.9105.7-179.8-165.2169.5-176.6177.80115.4D98D98-K100 VanDerWaalsContact C-N 3.31Å; D98-K100 PolarHBondContact O-N 3.17Å; D98-K100 VanDerWaalsContact O-N 3.11Å
101H32.2Very low38Very low160 Ų160125.6 Ų125.674%0.74171%0.706SS**  trans55.495.5161.1-72.8-62.5000119
102V30.9Very low36.6Very low131 Ų131126.7 Ų126.779%0.79472%0.72SS**  -74.3131.3127.2178.40000107.8Q104V102-Q104 PolarHBondContact O-N 3.09Å
103P34.4Very low35.3Very low111 Ų111129.8 Ų129.872%0.72173%0.733SS**  trans-79.7105.2174.730.6-32.1000110.3
104Q32.7Very low34.5Very low189 Ų189132.8 Ų132.888%0.88375%0.753SS**PPolyproline II helixtrans-85.7122.9174.7-162.616914.400109.9V102 S106V102-Q104 PolarHBondContact O-N 3.09Å; Q104-S106 PolarHBondContact O-N 3.4Å
105S33.8Very low34.1Very low115 Ų115137.7 Ų137.780%0.80477%0.772SS**PPolyproline II helixtrans-59.9133.7-173.2-63.10000113.3
106S33.8Very low34.1Very low119 Ų119138.3 Ų138.383%0.83278%0.777SS**PPolyproline II helixtrans-64.9139.4170.447.50000112.1Q104Q104-S106 PolarHBondContact O-N 3.4Å
107S33.4Very low33.8Very low125 Ų125139.7 Ų139.787%0.87478%0.783SS**  trans-143.5117.4161.1-75.30000108.5
108S32.9Very low33.4Very low115 Ų115139.2 Ų139.280%0.80479%0.792SS**  trans-99.4131-168.452.80000112.2
109V32.6Very low34.3Very low147 Ų147137 Ų13789%0.89179%0.785SS**  trans-133.2129.2157.6-176.10000108.1
110T31.4Very low34Very low132 Ų132139.3 Ų139.381%0.8179%0.791SS**  trans-96.3163.7-176.222.50000112.8
111P49.3Very low33.9Very low120 Ų120134.7 Ų134.778%0.77979%0.785SS**  trans-101.7158.6-164.239-36.2000115.7
112S28.8Very low33.9Very low109 Ų109136.1 Ų136.176%0.76279%0.791SS**  trans-173.9156.6158-100.60000107.8
113E31.1Very low33.8Very low161 Ų161139 Ų13975%0.75279%0.793SS**  cis-172.6153.9-15.9-171.9176.5139.800109.9
114S29.5Very low33.6Very low105 Ų105141.1 Ų141.173%0.73480%0.798SS**  trans66.2167.9163.782.40000118.3
115Q32.2Very low33.3Very low171 Ų171138.2 Ų138.280%0.79979%0.793SS**  cis-160.9157.2-39.7-103.9-168.82100107.8
116H32.8Very low33.3Very low168 Ų168138.7 Ų138.778%0.77879%0.791SS**  trans38.6133.2155.1-91.351.4000119.6
117K31Very low33.1Very low196 Ų196138.2 Ų138.285%0.85279%0.787SS**  179.9159.158.6-151.6170.5-177.3176.60110.7
118N29.6Very low33.2Very low146 Ų146139.5 Ų139.578%0.78179%0.785SS**  trans-108.8170173.6-158.428.6000109.2
119P55.3Low33Very low98 Ų98141.2 Ų141.264%0.63679%0.785SS**  cis-128.4177.9-12.737.4-20000115
120T31.5Very low33Very low136 Ų136138.9 Ų138.983%0.83478%0.781SS**  179.2153.9124-72.40000110.5
121A33.6Very low33Very low75 Ų75139.7 Ų139.762%0.6278%0.78SS**  trans-78.1157.9-169.400000115.3
122H31.3Very low32.1Very low189 Ų189142.4 Ų142.488%0.87578%0.783SS**  179.8155.6104.9-95.9-69.3000114.5
123K28.8Very low32.2Very low193 Ų193143.1 Ų143.184%0.83978%0.782SS**  trans93.4142.6150.7-149.9171.4-176.6-179.50119.3
124L29.5Very low32.2Very low155 Ų155140.6 Ų140.681%0.81278%0.778SS**  trans-57.6156.1177.7-65.174000111.3
125T27.8Very low32.4Very low128 Ų128144.6 Ų144.679%0.78579%0.785SS**  -163.214361.1-65.80000112.8
126V33.5Very low32.3Very low124 Ų124142.3 Ų142.375%0.75278%0.783SS**  trans-90.3136.6166.2174.90000109.3
127S29.8Very low32.4Very low109 Ų109140.2 Ų140.276%0.76279%0.787SS**  trans-135.695.2169.8-169.30000110.1
128N34.2Very low32.6Very low153 Ų153134.7 Ų134.782%0.81878%0.778SS**  trans-95.2133.3161.7-74.2-13.4000107.2
129N29.8Very low32.8Very low151 Ų151135.7 Ų135.781%0.80778%0.783SS**  trans-128.392.8172.9-164.419.7000110.1
130A32.9Very low31.7Very low98 Ų98138.5 Ų138.581%0.8179%0.792SS**  trans-111.7115.8169.700000107.3
131N30.2Very low31.9Very low148 Ų148139.6 Ų139.679%0.79179%0.788SS**  trans-102112.8-174.7-162.220.7000109.7
132Q31.1Very low31.9Very low178 Ų178142.1 Ų142.183%0.83280%0.795SS**  trans-127.7112.5179.3-174.8175.57500108.7
133T30.1Very low31.9Very low124 Ų124135.8 Ų135.876%0.76178%0.782SS**  trans-90.8113.7-174-53.10000111
134T30.6Very low32.1Very low107 Ų107132.2 Ų132.266%0.65678%0.781SS**  trans-117130.2167.8-55.60000109.1
135Q35.4Very low32.3Very low190 Ų190131.3 Ų131.389%0.88878%0.782SS**  trans-130.1141.9162-79-165.6-8.600109.8
136T29.7Very low32.6Very low123 Ų123130.6 Ų130.676%0.75578%0.782SS**  trans-138.1119.2-171.1-47.20000109.6
137S34.8Very low32.8Very low123 Ų123133 Ų13386%0.8679%0.785SS**  trans-179.1154.6159.8-80.80000110
138A35.2Very low33Very low80 Ų80136.2 Ų136.266%0.66179%0.788SS**  cis-170.9146-32.200000107.9
139L34.1Very low33.2Very low168 Ų168133.5 Ų133.588%0.8878%0.781SS**  trans50.6119.7157.3-67.7161.2000119.9
140N32Very low33.6Very low156 Ų156134 Ų13483%0.83478%0.784SS**  -163.5165.197.8-150.938.3000113.1
141E35.9Very low33.8Very low160 Ų160133.9 Ų133.975%0.74878%0.783SS**  trans-90.7-176162.6-62.3-172.349.500110.7
142T32.8Very low33.9Very low127 Ų127130 Ų13078%0.77978%0.777SS**  cis-154.2159.314.6-470000106.8
143G31.6Very low34Very low57 Ų57131 Ų13159%0.58878%0.782SS**  cis142.8170.92.800000110
144S32.1Very low34.4Very low118 Ų118129.5 Ų129.583%0.82578%0.782SS**  trans70.3138.8-168.6-63.60000114.8
145T35.3Very low35.6Very low136 Ų136130.4 Ų130.483%0.83479%0.79SS**  cis111.1111.125.6-69.20000110.8
146S32.5Very low35.6Very low113 Ų113127.8 Ų127.879%0.7979%0.787SS**  -169.2148.8129.7-158.30000112.3
147Q38.8Very low36Very low173 Ų173126.7 Ų126.781%0.80879%0.791SS**  trans-92.2157.3156.3-60.9167.4-2400108.6
148H33.2Very low36Very low178 Ų178124.7 Ų124.782%0.82479%0.789SS**  -174.9175.9113.7-137.4-94.5000112.3
149S38.4Very low36Very low95 Ų95129 Ų12966%0.66480%0.801SS**  trans-112.3168.9-162.7-44.40000115.9
150D38.8Very low36Very low162 Ų162126.2 Ų126.287%0.86680%0.796SS**  trans103.4151.6132.5-138.1-9000121.4
151A36.4Very low36.9Very low96 Ų96124.6 Ų124.679%0.79379%0.794SS**  trans61.2144.8169.400000119.7
152G32.4Very low36.8Very low65 Ų65124.1 Ų124.167%0.6780%0.796SS**  cis169-178.3-5.900000113
153Q34.7Very low36.9Very low200 Ų200123.5 Ų123.594%0.93579%0.792SS**  trans69.2154.8173-62.5167.7-15.400117
154A38.7Very low37.2Very low92 Ų92127.5 Ų127.576%0.7680%0.799SS**  cis-164.2160.6-26.200000109.2
155P55.3Low37.6Very low127 Ų127128.9 Ų128.983%0.82580%0.803SS**  trans-101.8154.7-169.837.9-34.6000116
156T34.8Very low37.7Very low134 Ų134126.5 Ų126.582%0.82280%0.797SS**  trans-128.7113.1155.934.60000107.3
157A37.3Very low37.7Very low101 Ų101126.5 Ų126.584%0.83580%0.797SS**  77.7113.587.600000111
158G36.3Very low37.7Very low80 Ų80125 Ų12583%0.82579%0.793SS**  trans-112.316217900000111.7
159D33.9Very low38Very low172 Ų172125.6 Ų125.692%0.9280%0.798SS**  trans-120.1151170.5-100.8-49.2000110.2
160S35.3Very low38.1Very low109 Ų109128.5 Ų128.576%0.76281%0.807SS**  trans-100.4142.9179.4-170.90000110.5
161P51.3Low37.9Very low122 Ų122125.9 Ų125.979%0.79281%0.807SS**  trans-76.5142.8173.832.2-34.7000111.1
162D33.6Very low38Very low149 Ų149125.7 Ų125.780%0.79781%0.805SS**  trans-155158.6167.1-159.9-4.7000109.8
163V34.4Very low39.4Very low115 Ų115127.9 Ų127.970%0.69781%0.808SS**  trans68.3129.3169.2-173.70000114.5
164L38.7Very low39.4Very low141 Ų141126.4 Ų126.474%0.73881%0.806SS**  cis-149.9143.611.5-142.2161000110.6A166L164-A166 HydrophobicContact CD2-CB 4Å
165T40.7Very low39.1Very low147 Ų147126.6 Ų126.690%0.90281%0.807SS**  trans-112116.7167.8-64.20000111
166A36.3Very low38.3Very low86 Ų86124.7 Ų124.771%0.71180%0.803SS**  trans-159.3152.7172.700000109.6L164L164-A166 HydrophobicContact CD2-CB 4Å
167S32.5Very low39.1Very low113 Ų113124.1 Ų124.179%0.7980%0.801SS**  cis-144.1156.9-2.3-175.30000111
168I38.5Very low39.2Very low141 Ų141128.1 Ų128.172%0.72380%0.8SS**  trans-70.2149.9164-64159.5000109.7
169M40.5Very low39Very low190 Ų190130.9 Ų130.994%0.93680%0.796SS**  trans-134.1120.5152.9-79.7-163.9171.800111.1
170N40.7Very low38.9Very low157 Ų157129.1 Ų129.184%0.8479%0.786SS**  trans-95.9144.2164.5-85.93.7000109.6
171A33Very low38.8Very low106 Ų106130.9 Ų130.988%0.87679%0.792SS**  trans-144.7149.515600000108.8
172A38.5Very low38.1Very low92 Ų92129 Ų12976%0.7679%0.787SS**  trans-137.4-142.7-166.300000112.1
173P62.7Low38Very low112 Ų112127.7 Ų127.773%0.72779%0.785SS**  -123.4-156.4-9334.5-16.3000114.1
174L33.7Very low37.8Very low168 Ų168128.7 Ų128.788%0.8879%0.791SS**  trans82.9148.6176.1-84.868000116
175A33.5Very low37.8Very low96 Ų96129.8 Ų129.879%0.79380%0.797SS**  cis-142.4173.44.400000113.3
176A38.2Very low37.4Very low88 Ų88127.3 Ų127.373%0.72779%0.785SS**  trans-106.7166.6173.400000112.4
177P51Low37.2Very low122 Ų122132 Ų13279%0.79279%0.793SS**  -136.9138.510016.95000113.5
178K39.1Very low36.9Very low185 Ų185131.8 Ų131.880%0.80479%0.787SS**  68.210381.8-86.3-161.6173-166.10117.4
179N33.2Very low36.6Very low138 Ų138130.1 Ų130.174%0.73879%0.788SS**  171.4115.4118.2-9427.2000108
180D32.4Very low36.1Very low134 Ų134129.6 Ų129.672%0.71778%0.783SS**  82.7104.174.6-76.5-20.1000114.3
181T32.5Very low35.9Very low146 Ų146132 Ų13290%0.89679%0.786SS**  -171.7134.7124.9-74.20000109.8
182A36.5Very low35.9Very low82 Ų82132.6 Ų132.668%0.67878%0.783SS**  trans-81.5166.1179.900000111.2
183T31.2Very low35.8Very low123 Ų123137.4 Ų137.476%0.75579%0.787SS**  -163.8139.956.9-560000111.5
184T31.2Very low34.3Very low136 Ų136138.3 Ų138.383%0.83479%0.79SS**  trans-133.7137.5167.4-35.50000108
185L38.1Very low34.2Very low163 Ų163138.8 Ų138.885%0.85379%0.788SS**  trans-135.8136.7176.5-118.9166.1000108.8
186S32.8Very low34.5Very low95 Ų95139.3 Ų139.366%0.66479%0.786SS**  trans-113.2169.3-170.6-63.40000111.7
187E30.5Very low35Very low184 Ų184140.6 Ų140.686%0.8679%0.787SS**  trans71.6155.1169.8-55.3-166.7100.400114.9
188T26.5Very low34.4Very low110 Ų110141 Ų14168%0.67579%0.786SS**  cis-129.6147.914.8-48.70000112.9
189S32.3Very low34.2Very low105 Ų105138 Ų13873%0.73478%0.784SS**  trans-83124.1175.5-178.60000112.2
190H31.1Very low34.3Very low180 Ų180137.2 Ų137.283%0.83378%0.784SS**  trans-121.993.9168.3-80-65.1000112.4
191K36.5Very low34.5Very low208 Ų208136.5 Ų136.590%0.90479%0.785SS**  trans-78.8116.5170.2173.4-175178.3-178.70110
192S32.2Very low34.6Very low118 Ų118134 Ų13483%0.82578%0.779SS**  trans-139.5166.2166.9-162.80000112.1
193K36Very low34.7Very low193 Ų193135.9 Ų135.984%0.83978%0.782SS**  trans-143.899.5-150.3177-160.6173.9-168.60111.8
194V32.1Very low34.8Very low131 Ų131135.2 Ų135.279%0.79478%0.783SS**  trans-142105.8171.3-175.30000105.7
195Q32.5Very low35.2Very low178 Ų178135.3 Ų135.383%0.83278%0.783SS**  79.1110.165.6-173.4169.9-13.300112.5
196S39.7Very low35.1Very low106 Ų106135.1 Ų135.174%0.74178%0.775SS**PPolyproline II helixtrans-73.2142.3-177.2-45.40000112.7
197P48Very low35.2Very low116 Ų116138.2 Ų138.275%0.75378%0.784SS**PPolyproline II helixtrans-76.1135156.431.8-30.7000110
198V39.2Very low35.4Very low129 Ų129136.5 Ų136.578%0.78278%0.775SS**PPolyproline II helixtrans-93.2128.1163.4172.30000107.5
199T33.2Very low35.9Very low122 Ų122135.6 Ų135.675%0.74877%0.774SS**  trans-119.4104.9171.7-55.50000109.4
200T36.8Very low36.2Very low122 Ų122137.1 Ų137.175%0.74878%0.779SS**  trans-91.6115173.5-54.60000109.2
201T35.9Very low36.6Very low119 Ų119133.9 Ų133.973%0.7377%0.772SS**  trans-97.7103.2172.2-53.70000109.6
202A34.4Very low36.8Very low94 Ų94130.6 Ų130.678%0.77777%0.769SS**  trans-96.8118.2170.600000109.8
203T39.2Very low37.3Very low121 Ų121132.6 Ų132.674%0.74277%0.767SS**  trans-103.3113.2173.3-56.60000109.4
204S31.8Very low37.4Very low110 Ų110129.2 Ų129.277%0.76976%0.763SS**  trans-75.5134.3174179.50000110.9
205V40.6Very low38.7Very low138 Ų138128.4 Ų128.484%0.83676%0.76SS**  trans-127.5128.1160.2-179.60000107.7
206K36.3Very low38.9Very low158 Ų158128.1 Ų128.169%0.68776%0.764SS**  trans-114.7119.2-174.8173-145.7167.4-164.90109.2E208K206-E208 IonicContact NZ-OE2 3.73Å
207L35.7Very low39Very low161 Ų161127.3 Ų127.384%0.84376%0.763SS**  trans-174.5156150.9-128.565.8000108.1
208E33.5Very low38.6Very low147 Ų147129.3 Ų129.369%0.68777%0.766SS**  -166.6139.1-50.7-173.5152.4128.500104K206K206-E208 IonicContact NZ-OE2 3.73Å
209S37.7Very low38.4Very low92 Ų92129 Ų12964%0.64376%0.764SS**  trans-34.6148.6-175-167.90000119.2
210T37.2Very low38.7Very low136 Ų136131.6 Ų131.683%0.83477%0.768SS**  -151.3136.8128.4-740000110.4
211T41Very low39Very low113 Ų113133.6 Ų133.669%0.69377%0.773SS**  trans-109.1135.3-178-520000111.2
212V40.8Very low39.3Very low139 Ų139136 Ų13684%0.84278%0.778SS**  trans-137.7138.1158.5-176.10000109.1
213M40.9Very low39.4Very low159 Ų159136.3 Ų136.378%0.78377%0.77SS**  trans-91.6156.8179.1-63.6163.555.600111.7
214T38.2Very low39.5Very low123 Ų123137.2 Ų137.276%0.75577%0.769SS**  155.1129.3116.4-63.30000110.5
215P59.5Low39.7Very low113 Ų113138.2 Ų138.273%0.73477%0.77SS**  trans-89.7164.6175.837-35.5000112.8
216L37.3Very low39.6Very low173 Ų173139.5 Ų139.591%0.90677%0.767SS**  trans-141.2150.9157.9-14870.3000110.5
217A41.1Very low39.7Very low88 Ų88137.8 Ų137.873%0.72778%0.775SS**  trans-103.9-158-172.400000112.2
218I41.3Very low39.9Very low158 Ų158137.3 Ų137.381%0.8177%0.769SS**  trans104.4129.6178.3-61.3161.8000112.7
219T33.5Very low40.3Very low123 Ų123137.2 Ų137.276%0.75578%0.778SS**  cis-158.8157.1-18.5-920000108.9
220Q41.2Very low40.4Very low177 Ų177137.9 Ų137.983%0.82778%0.779SS**  trans-78150.6179.7-53.5160.7-5800114.2
221I42Very low40.8Very low164 Ų164136.3 Ų136.384%0.84178%0.779SS**  trans-143.8113133.3-51.5-176.2000104.9
222M42Very low40.7Very low170 Ų170136.6 Ų136.684%0.83778%0.781SS**  60136.783-98-174.6165.600113.4
223T36.4Very low40.8Very low100 Ų100136.4 Ų136.461%0.61378%0.78SS**  cis-164.5141.325-95.50000111.2
224I41.7Very low40.8Very low140 Ų140134 Ų13472%0.71878%0.775SS**  trans40.1130.7142.6-49.4174.1000117.5
225T35.5Very low41Very low131 Ų131137 Ų13780%0.80478%0.782SS**  -149.1133.158.5-410000116.8
226E38.9Very low40.2Very low165 Ų165137.3 Ų137.377%0.77178%0.782SS**  trans-48147.9162.5175.1174.5-118.500117.8
227S39.3Very low40.5Very low122 Ų122135.5 Ų135.585%0.85378%0.779SS**  trans-158.9128.9141.8-161.50000109.7
228E40.2Very low40.6Very low151 Ų151137.2 Ų137.271%0.70678%0.78SS**  trans-83.5156.5-176-60.9179.999.100113.3
229T40.3Very low40.5Very low145 Ų145135.8 Ų135.889%0.8978%0.779SS**  -158.2131.1128.1-72.90000109.4
230T39.6Very low40.9Very low106 Ų106135.9 Ų135.965%0.6578%0.779SS**  trans-90140-172.8-46.80000113
231A46.2Very low40.8Very low102 Ų102133.9 Ų133.984%0.84378%0.78SS**  trans-142.5116.216100000110.2
232T39.8Very low40.4Very low120 Ų120130.3 Ų130.374%0.73678%0.775SS**  trans-110.4121.9-170.4-55.40000111.4
233T42.3Very low40.5Very low134 Ų134130.4 Ų130.482%0.82278%0.775SS**  trans-136.395.3168.4-48.80000112.3
234T40.3Very low41.1Very low110 Ų110130.9 Ų130.968%0.67578%0.78SS**  trans5.5118.5148.6-43.20000118.3
235M43.6Very low40.9Very low185 Ų185129.5 Ų129.591%0.91178%0.783SS**  trans-91130.5153.8-76.4-164.8168.600110.3
236T41.7Very low41.2Very low119 Ų119128.9 Ų128.973%0.7378%0.779SS**  trans-101.5105.4177.7-540000110.3
237T44.2Very low41.4Very low136 Ų136127.4 Ų127.483%0.83478%0.781SS**  trans-87.3128.6171-49.80000109.7
238T41.9Very low41.6Very low124 Ų124128.8 Ų128.876%0.76178%0.779SS**  trans-131.3145.5174-40.50000111
239T40.3Very low41.5Very low128 Ų128127.6 Ų127.679%0.78578%0.782SS**  trans-92.5154.3-153.9-300000115.3
240T41.3Very low41.5Very low124 Ų124126.5 Ų126.576%0.76178%0.776SS**  trans-45.2152.1159.3-28.80000113.9
241T38.8Very low41.7Very low135 Ų135128.2 Ų128.283%0.82879%0.786SS**  trans-176.3148.9136.2-82.90000113.3
242A35.3Very low41.3Very low89 Ų89129.2 Ų129.274%0.73678%0.782SS**  trans70.1103.4159.300000122.5
243M42.3Very low42Very low173 Ų173131.9 Ų131.985%0.85279%0.786SS**  -70.4170.3124.6-105.4-178.567.300109.6
244P48.9Very low42.3Very low110 Ų110131 Ų13171%0.71478%0.783SS**  cis-138.8176.321.543.4-26.8000116.4
245S37.4Very low42.6Very low111 Ų111131.6 Ų131.678%0.77679%0.786SS**  -170.7156.8119.8-162.30000111.7
246T42Very low42.6Very low118 Ų118129.4 Ų129.472%0.72478%0.783SS**  trans-98157.1173.447.70000111.5
247T43.4Very low42.7Very low134 Ų134129.5 Ų129.582%0.82278%0.784SS**  trans-151.8134.4158.7-67.10000109.2
248N44Very low42.8Very low150 Ų150132.7 Ų132.780%0.80279%0.786SS**  trans-101.3132.6-178.2-59.6-34.2000110.9
249T38.5Very low42.9Very low126 Ų126132.8 Ų132.877%0.77379%0.787SS**  trans-156.4102.1156.317.60000107.8
250T40.3Very low43Very low123 Ų123133 Ų13376%0.75579%0.788SS**  95.5104.384.6-66.50000111.2
251T42.4Very low43.2Very low141 Ų141133.7 Ų133.787%0.86579%0.786SS**  trans-75.3132.7179.3-46.50000111.6
252T38Very low43.7Very low123 Ų123132.7 Ų132.776%0.75578%0.781SS**  trans-123.5122.8166.251.60000111.1
253Q55.5Low43.9Very low176 Ų176134.3 Ų134.382%0.82278%0.783SS**PPolyproline II helixtrans-76.6130.9-177.8176.5-175.32800111.9
254P48Very low44Very low117 Ų117131.8 Ų131.876%0.7678%0.777SS**PPolyproline II helixtrans-82.4129.3164.731.8-30.8000110.9
255T47.2Very low44Very low121 Ų121130.9 Ų130.974%0.74278%0.779SS**PPolyproline II helixtrans-74.9140.8-178.7-48.20000112.3T257T255-T257 PolarHBondContact O-N 3.48Å
256T42.5Very low44.3Very low139 Ų139131.5 Ų131.585%0.85378%0.778SS**  trans-80105.6175.348.30000112.1
257T44.5Very low44.5Very low121 Ų121132 Ų13274%0.74278%0.781SS**  trans-90.8117.7170.7-54.60000110.3T255T255-T257 PolarHBondContact O-N 3.48Å
258K46.7Very low44.5Very low204 Ų204133 Ų13389%0.88778%0.779SS**  trans-76.2121.9168.4-75.3-177.4174.2-178.60109.5
259T43.4Very low44.6Very low126 Ų126134.6 Ų134.677%0.77378%0.78SS**  trans-106.7127.7170.3-58.40000109.5
260T42.7Very low44.7Very low131 Ų131135 Ų13580%0.80478%0.782SS**  trans-81.4143-172.5-38.10000112.2
261I45.3Very low44.9Very low140 Ų140135.1 Ų135.172%0.71878%0.783SS**  trans-86129.1179.2-58167.8000110.5
262P49.3Very low44.8Very low113 Ų113132.7 Ų132.773%0.73478%0.777SS**  trans-90.9103.216132.8-28000110.5T264P262-T264 PolarHBondContact O-N 2.69Å
263T39.6Very low45.4Very low124 Ų124134.7 Ų134.776%0.76178%0.782SS**  trans-79.4102.9-178.2-52.70000111.9A265T263-A265 PolarHBondContact O-N 2.98Å
264T45.2Very low45Very low120 Ų120131.7 Ų131.774%0.73678%0.778SS**  trans-94.890.5176.7-520000111.5P262 T266P262-T264 PolarHBondContact O-N 2.69Å; T264-T266 PolarHBondContact O-N 3.06Å
265A47.9Very low44.5Very low91 Ų91131 Ų13175%0.75278%0.776SS**  trans-65.3120175.100000111.2T263T263-A265 PolarHBondContact O-N 2.98Å
266T43.9Very low44.3Very low124 Ų124131.3 Ų131.376%0.76178%0.778SS**  trans-108.4117.1177.7-57.90000110.3T264 I268T264-T266 PolarHBondContact O-N 3.06Å; T266-I268 PolarHBondContact O-N 3.23Å
267T46.8Very low44.1Very low128 Ų128131.4 Ų131.479%0.78578%0.778SS**  trans-73.2122.1-172.5-45.30000112.5K269T267-K269 PolarHBondContact O-N 3.07Å
268I43.2Very low44.3Very low154 Ų154131.5 Ų131.579%0.7978%0.779SS**  trans-73.6114.1170.5-61.1176.8000109.1T266 T270T266-I268 PolarHBondContact O-N 3.23Å; I268-T270 PolarHBondContact O-N 3.07Å
269K46.3Very low44.1Very low185 Ų185128 Ų12880%0.80478%0.777SS**  trans-87.692168.9-89-169.4172.6-177.50111T267 T271T267-K269 PolarHBondContact O-N 3.07Å; K269-T271 PolarHBondContact O-N 2.61Å; K269-T271 PolarHBondContact O-OG1 3.25Å
270T39.6Very low44.1Very low133 Ų133130.6 Ų130.682%0.81678%0.777SS**  trans-56.3119.4162.7-54.30000109.3I268I268-T270 PolarHBondContact O-N 3.07Å
271T45.3Very low43.9Very low127 Ų127130.8 Ų130.878%0.77978%0.779SS**  trans-119.6137.8174.2-53.50000108.5K269K269-T271 PolarHBondContact O-N 2.61Å; K269-T271 PolarHBondContact O-OG1 3.25Å
272A40.3Very low43.5Very low90 Ų90129.2 Ų129.274%0.74478%0.776SS**  trans-79156.6-163.300000114.7
273L50.6Low43Very low165 Ų165129.8 Ų129.886%0.86478%0.778SS**  trans-72.6138.3172.6-179.274.4000111.7
274P47.8Very low42.9Very low113 Ų113129.9 Ų129.973%0.73478%0.778SS**  trans-106.5145.2155.334.8-27.8000112.7
275S37.3Very low42.6Very low103 Ų103128.1 Ų128.172%0.7278%0.775SS**  trans-61.3143.1-170.7-53.60000117.2
276T42.2Very low42Very low127 Ų127131.5 Ų131.578%0.77978%0.781SS**  trans30.9123130.4-21.30000120.2
277T38.1Very low41.8Very low140 Ų140131 Ų13186%0.85978%0.778SS**  trans-153.4138.3141.5-2.20000110.7
278T48.3Very low41.9Very low124 Ų124130.8 Ų130.876%0.76178%0.779SS**  trans-100.9135.1-179.6240000111.5K280T278-K280 PolarHBondContact O-N 3.18Å
279P43.4Very low41.6Very low130 Ų130128.5 Ų128.584%0.84477%0.772SS**  trans-78.1118.9166.531-30.8000109.8
280K43.6Very low41Very low180 Ų180126.9 Ų126.978%0.78377%0.772SS**  trans-113.1114.7171.8-177.1-175.6174.4-1730110.2T278T278-K280 PolarHBondContact O-N 3.18Å
281T37.9Very low41.1Very low135 Ų135128.8 Ų128.883%0.82877%0.772SS**  trans-68.1128170.2-43.50000110.5
282T36.4Very low40.9Very low108 Ų108130 Ų13066%0.66377%0.768SS**  trans-153141.9161.2-52.80000109.3
283T40.3Very low40.7Very low125 Ų125134 Ų13477%0.76777%0.769SS**  trans-94.4138.1-170.7-48.30000112.4
284T36.8Very low40.3Very low125 Ų125134.1 Ų134.177%0.76776%0.763SS**  trans-141.6119.6162-430000105.4
285A39.6Very low40.2Very low83 Ų83134.1 Ų134.169%0.68676%0.763SS**  cis8278.334.900000113.4
286D35.4Very low40.4Very low163 Ų163133.5 Ų133.587%0.87276%0.758SS**  trans-126.7145.2165.9-91.6-51.2000110.1
287T38.3Very low41Very low114 Ų114132.9 Ų132.970%0.69976%0.756SS**  trans-131142.2-177.6-29.70000108.3T289T287-T289 WeakPolarHBondContact CG2-OG1 3.27Å
288P49.2Very low40.9Very low123 Ų123133 Ų13380%0.79976%0.758SS**  -132.7141.2103.236.4-27.1000110.8
289T36.5Very low40.8Very low105 Ų105134.4 Ų134.464%0.64476%0.758SS**  cis67.891.848.3-50.50000112.1T287T287-T289 WeakPolarHBondContact CG2-OG1 3.27Å
290D35.1Very low41.2Very low151 Ų151133.6 Ų133.681%0.80775%0.754SS**  -159.5159.3118.3-104.2-30000112.7
291E39.9Very low40.7Very low173 Ų173134.3 Ų134.381%0.80876%0.76SS**  trans23.5111169.7-56.1-155.5139.300119.6
292E42.1Very low40.8Very low152 Ų152132 Ų13271%0.7175%0.754SS**  69.4108.879.6-173.4177.8134.200114.9
293K36.6Very low41.5Very low174 Ų174132.8 Ų132.876%0.75776%0.761SS**  -179.8135.698.1-147.2170.6-159.983.80113.4
294K41.6Very low41.3Very low169 Ų169131.7 Ų131.774%0.73576%0.759SS**  trans-132.9126.6167.5172.2173.1-174.1-65.30107.3
295P45.2Very low41.2Very low113 Ų113130.4 Ų130.473%0.73475%0.754SS**  -127141.987.75.717.4000113
296S41.5Very low41.1Very low89 Ų89135.5 Ų135.562%0.62276%0.764SS**  92.1143.364.9-138.70000112.2
297P54.8Low41Very low114 Ų114131.2 Ų131.274%0.7475%0.752SS**  trans-105.8160.3-150.839.6-35.9000116.3
298T36.6Very low40.9Very low144 Ų144132.2 Ų132.288%0.88376%0.757SS**  trans-143.4151.2163.9-56.90000110.3
299I46.3Very low40.3Very low152 Ų152131.9 Ų131.978%0.77976%0.758SS**  trans-139.7163.8-179.1-44.1163.2000106.4
300P51.8Low40.2Very low114 Ų114129.8 Ų129.874%0.7476%0.757SS**  cis-111.5173.2-48.836.3-24.1000111.6
301E33.5Very low40.4Very low195 Ų195130.5 Ų130.591%0.91176%0.761SS**  trans-157.6158.1144.5-127173.716400113.3
302A40.5Very low40.1Very low85 Ų85126.7 Ų126.770%0.70276%0.759SS**  trans-144.6174.6172.100000106.9
303P50.8Low39.9Very low126 Ų126128.2 Ų128.282%0.81877%0.769SS**  cis-125.4-177.4-5.142.2-28.6000112.7
304S35.3Very low40.1Very low102 Ų102126.1 Ų126.171%0.71377%0.77SS**  trans-173.1124.5130-1630000113.7
305S35.1Very low40.6Very low97 Ų97123.5 Ų123.568%0.67877%0.771SS**  29.6143.9129.5-27.50000123.5
306Q37.8Very low40.3Very low190 Ų190122.9 Ų122.989%0.88877%0.769SS**  trans82.2140.8136.2-161.7178.39.400118.8
307A33.3Very low40Very low74 Ų74124.2 Ų124.261%0.61277%0.773SS**  cis-167.9163-34.200000110.3
308T35.4Very low39.3Very low134 Ų134123.9 Ų123.982%0.82278%0.78SS**  trans64.3122150.5-480000120.3
309S36.5Very low39.3Very low116 Ų116122.2 Ų122.281%0.81177%0.77SS**  160.5144.1107.2-160.50000114.7
310G35.4Very low38.9Very low61 Ų61119.6 Ų119.663%0.62977%0.771SS**  trans77.411916600000115.2
311N37.9Very low38.3Very low167 Ų167122.7 Ų122.789%0.89378%0.776SS**  cis62.4134.139.6-57.46.1000114.6
312A34.1Very low38.7Very low93 Ų93119.8 Ų119.877%0.76977%0.771SS**  cis-172.6150.8-17.400000110.2
313M37.2Very low38.8Very low184 Ų184120.9 Ų120.991%0.90677%0.773SS**  trans-167.4140147.2-159.799.2-179.200110.4
314V42.2Very low38.6Very low130 Ų130121.4 Ų121.479%0.78877%0.774SS**  trans-145130.9-178.4173.20000108.9
315P51Low38.8Very low114 Ų114125.8 Ų125.874%0.7478%0.78SS**  -145.2168.9110.624.2-1.8000113.6
316S40.1Very low39.4Very low100 Ų100132.3 Ų132.370%0.69979%0.79SS**  cis-153.2132.5-3.9-115.10000112.3
317T34.4Very low39.8Very low117 Ų117130.2 Ų130.272%0.71878%0.784SS**  42.9112126.5-40.40000121.4
318A40.6Very low40.1Very low106 Ų106132.6 Ų132.688%0.87679%0.787SS**  trans-137.4129.2133.800000108
319T36.3Very low40.9Very low109 Ų109135 Ų13567%0.66979%0.789SS**  trans-111134.9-163.9-540000112.3E321T319-E321 HydrophobicContact CG2-CG 3.76Å
320A37.6Very low41.5Very low97 Ų97136 Ų13680%0.80279%0.785SS**  trans-134102161.300000108.9V322A320-V322 PolarHBondContact O-N 3.17Å
321E40Very low42.1Very low180 Ų180137 Ų13784%0.84178%0.779SS**  trans-80.3111.7-179.2-65.8178.1131.800110.9T319T319-E321 HydrophobicContact CG2-CG 3.76Å
322V41.8Very low42.6Very low134 Ų134134 Ų13481%0.81276%0.763SS**  trans-92.5101.2161.6178.80000108.1A320 T324A320-V322 PolarHBondContact O-N 3.17Å; V322-T324 PolarHBondContact O-N 3.12Å
323S41.6Very low43.4Very low107 Ų107139.7 Ų139.775%0.74876%0.764SS**  trans-60.4118179-173.50000111.2K325S323-K325 PolarHBondContact O-N 2.94Å
324T46.5Very low44Very low137 Ų137133.9 Ų133.984%0.8475%0.746SS**  trans-76.667.1-17840.10000112.7V322 R326V322-T324 PolarHBondContact O-N 3.12Å; T324-R326 PolarHBondContact O-N 2.98Å
325K40.2Very low44.4Very low195 Ų195132.5 Ų132.585%0.84873%0.733SS**  trans-83102.3170.5-153.8179.3-172.9-1740109.8S323 L327S323-K325 PolarHBondContact O-N 2.94Å; K325-L327 PolarHBondContact O-N 3.49Å
326R47.4Very low44.4Very low234 Ų234132.9 Ų132.988%0.88373%0.728SS**  trans-66.2116.5173.5-76.4-179.5170.2144-3.4111T324T324-R326 PolarHBondContact O-N 2.98Å
327L46.6Very low45Very low146 Ų146134 Ų13476%0.76473%0.726SS**  trans-161.9174130.3-13175.2000109.7K325K325-L327 PolarHBondContact O-N 3.49Å
328D39.6Very low45.8Very low124 Ų124133.7 Ų133.766%0.66372%0.723SS**  trans65.3112.9171.2-58.3-58000118.6D330D328-D330 VanDerWaalsContact C-N 3.29Å; D328-D330 PolarHBondContact O-N 2.86Å
329E51.2Low46.3Very low185 Ų185132.6 Ų132.686%0.86471%0.705SS**THydrogen-bonded Turntrans-72.9-18.2-169.8-152.4162.712000113.8T331 N332E329-T331 PolarHBondContact O-N 3.42Å; E329-N332 PolarHBondContact O-ND2 2.9Å
330D49Very low47Very low135 Ų135129.3 Ų129.372%0.72269%0.69SS**THydrogen-bonded Turntrans-70.5-29.7-171.6-161.840.2000113.8D328 N332 R333D328-D330 VanDerWaalsContact C-N 3.29Å; D328-D330 PolarHBondContact O-N 2.86Å; D330-N332 PolarHBondContact O-N 3.24Å; D330-R333 PolarHBondContact O-N 2.85Å; D330-R333 VanDerWaalsContact O-N 3.12Å
331T49.3Very low47.6Very low83 Ų83126.2 Ų126.251%0.50967%0.667SS.*Hα-helixtrans-58.1-26.1-175.9-50.20000113.4E329 R333 A334 I335E329-T331 PolarHBondContact O-N 3.42Å; T331-R333 PolarHBondContact O-N 3.4Å; T331-A334 PolarHBondContact O-N 2.91Å; T331-I335 HydrophobicContact CG2-CD1 4.2Å
332N48.4Very low48.2Very low105 Ų105124.4 Ų124.456%0.56166%0.658SS**Hα-helixtrans-65.9-21.7-178.9-67-75.6000113.5E329 D330 I336E329-N332 PolarHBondContact O-ND2 2.9Å; D330-N332 PolarHBondContact O-N 3.24Å; N332-I336 WeakPolarHBondContact O-CD1 3.33Å; N332-I336 WeakPolarHBondContact O-CG1 3.38Å
333R49.8Very low48.8Very low211 Ų211123.3 Ų123.380%0.79665%0.647SS**Hα-helixtrans-72.5-40176.3-120-178-178.4-77.9-1.3112.4D330 T331 D337D330-R333 PolarHBondContact O-N 2.85Å; D330-R333 VanDerWaalsContact O-N 3.12Å; T331-R333 PolarHBondContact O-N 3.4Å; R333-D337 PolarHBondContact O-N 3.29Å
334A50.4Low49.3Very low62 Ų62123 Ų12351%0.51264%0.636SS.*Hα-helixtrans-68.6-38.8-177.800000112.9T331 I336 D337 V338T331-A334 PolarHBondContact O-N 2.91Å; A334-I336 PolarHBondContact O-N 2.93Å; A334-D337 PolarHBondContact O-N 3.38Å; A334-V338 WeakPolarHBondContact O-CG2 3.46Å; A334-V338 PolarHBondContact O-N 3.48Å
335I50.6Low49.5Very low101 Ų101120.4 Ų120.452%0.51862%0.62SS.*Hα-helixtrans-68.5-36.6-177.4-61.3173.2000111.5T331 V339T331-I335 HydrophobicContact CG2-CD1 4.2Å; I335-V339 WeakPolarHBondContact O-CG2 3.27Å; I335-V339 PolarHBondContact O-N 2.84Å
336I51.5Low50.4Low123 Ų123120 Ų12063%0.63161%0.614SS**Hα-helixtrans-67.7-38.5178.5-65.4171.4000111.1N332 A334 V339 A340N332-I336 WeakPolarHBondContact O-CD1 3.33Å; N332-I336 WeakPolarHBondContact O-CG1 3.38Å; A334-I336 PolarHBondContact O-N 2.93Å; I336-V339 PolarHBondContact O-N 3.3Å; I336-A340 PolarHBondContact O-N 2.89Å
337D51.2Low50.8Low124 Ų124114.6 Ų114.666%0.66360%0.598SS**Hα-helixtrans-70.7-40.1-177.1-145.425.3000112.1R333 A334 V339 A340 G341R333-D337 PolarHBondContact O-N 3.29Å; A334-D337 PolarHBondContact O-N 3.38Å; D337-V339 PolarHBondContact O-N 3.34Å; D337-A340 PolarHBondContact O-N 3.4Å; D337-G341 PolarHBondContact O-N 3.11Å; D337-G341 VanDerWaalsContact O-N 3.08Å
338V52.5Low51.4Low110 Ų110113.1 Ų113.167%0.66759%0.59SS**Hα-helixtrans-61.6-42.4174.2173.10000111.6A334 G341 E342A334-V338 WeakPolarHBondContact O-CG2 3.46Å; A334-V338 PolarHBondContact O-N 3.48Å; V338-G341 PolarHBondContact O-N 3.32Å; V338-E342 PolarHBondContact O-N 3.02Å
339V51.3Low52.7Low82 Ų82111.5 Ų111.550%0.49759%0.585SS.*Hα-helixtrans-70.1-32.7177.81750000111.8I335 I336 D337 G341 I343I335-V339 WeakPolarHBondContact O-CG2 3.27Å; I335-V339 PolarHBondContact O-N 2.84Å; I336-V339 PolarHBondContact O-N 3.3Å; D337-V339 PolarHBondContact O-N 3.34Å; V339-G341 VanDerWaalsContact C-N 3.34Å; V339-I343 HydrophobicContact CG1-CD1 4.49Å
340A50.5Low53.8Low41 Ų41108 Ų10834%0.33957%0.572SS.*Hα-helixtrans-64-38.8172.900000112.1I336 D337 E342 I343 L344I336-A340 PolarHBondContact O-N 2.89Å; D337-A340 PolarHBondContact O-N 3.4Å; A340-E342 PolarHBondContact O-N 3.12Å; A340-I343 PolarHBondContact O-N 2.73Å; A340-L344 WeakPolarHBondContact O-CB 3.26Å; A340-L344 PolarHBondContact O-N 2.91Å
341G51.1Low55.3Low31 Ų31105 Ų10532%0.3256%0.558SS.*Hα-helixtrans-61.8-38.7178.400000114.7D337 V338 V339 T345D337-G341 PolarHBondContact O-N 3.11Å; D337-G341 VanDerWaalsContact O-N 3.08Å; V338-G341 PolarHBondContact O-N 3.32Å; V339-G341 VanDerWaalsContact C-N 3.34Å; G341-T345 WeakPolarHBondContact O-CB 3.21Å; G341-T345 WeakPolarHBondContact O-CG2 3.12Å; G341-T345 PolarHBondContact O-N 2.8Å; G341-T345 PolarHBondContact O-OG1 3.49Å
342E52.1Low56.8Low142 Ų142104.1 Ų104.166%0.66456%0.556SS**Hα-helixtrans-68-35177-105-161.612700112.8V338 A340 T345 R346V338-E342 PolarHBondContact O-N 3.02Å; A340-E342 PolarHBondContact O-N 3.12Å; E342-T345 WeakPolarHBondContact CA-OG1 3.45Å; E342-T345 PolarHBondContact O-OG1 3.47Å; E342-T345 VanDerWaalsContact O-OG1 3.1Å; E342-R346 PolarHBondContact O-N 2.67Å
343I53.2Low58.6Low111 Ų111101.5 Ų101.557%0.56955%0.549SS*.Hα-helixtrans-74-44.2178-59171.5000110V339 A340 T345 R346 Q347V339-I343 HydrophobicContact CG1-CD1 4.49Å; A340-I343 PolarHBondContact O-N 2.73Å; I343-T345 VanDerWaalsContact C-N 3.35Å; I343-T345 PolarHBondContact O-N 2.96Å; I343-R346 PolarHBondContact O-N 3.29Å; I343-Q347 WeakPolarHBondContact O-CB 3.29Å; I343-Q347 PolarHBondContact O-N 3.48Å
344L53.5Low60.4Low101 Ų10197 Ų9753%0.52954%0.54SS..Hα-helixtrans-59.7-41.8175.3-86.7161.8000112.4A340 Q347 L348A340-L344 WeakPolarHBondContact O-CB 3.26Å; A340-L344 PolarHBondContact O-N 2.91Å; L344-Q347 PolarHBondContact O-N 2.91Å; L344-L348 WeakPolarHBondContact O-CB 3.47Å; L344-L348 WeakPolarHBondContact O-CD1 3.24Å; L344-L348 PolarHBondContact O-N 3.44Å
345T50.8Low62Low82 Ų8298.3 Ų98.350%0.50354%0.538SS..Hα-helixtrans-68-39.4178.445.60000112.7G341 E342 I343 L348 V349G341-T345 WeakPolarHBondContact O-CB 3.21Å; G341-T345 WeakPolarHBondContact O-CG2 3.12Å; G341-T345 PolarHBondContact O-N 2.8Å; G341-T345 PolarHBondContact O-OG1 3.49Å; E342-T345 WeakPolarHBondContact CA-OG1 3.45Å; E342-T345 PolarHBondContact O-OG1 3.47Å; E342-T345 VanDerWaalsContact O-OG1 3.1Å; I343-T345 VanDerWaalsContact C-N 3.35Å; I343-T345 PolarHBondContact O-N 2.96Å; T345-L348 PolarHBondContact O-N 3.19Å; T345-V349 WeakPolarHBondContact O-CG2 3.39Å; T345-V349 PolarHBondContact O-N 3.46Å
346R57.4Low63.9Low188 Ų18896.2 Ų96.271%0.70954%0.536SS*.Hα-helixtrans-61.6-45.8170.4-77.1-166.8176.1-142.10.7112.3E342 I343 L348 V349 D350E342-R346 PolarHBondContact O-N 2.67Å; I343-R346 PolarHBondContact O-N 3.29Å; R346-L348 VanDerWaalsContact C-N 3.29Å; R346-L348 PolarHBondContact O-N 2.79Å; R346-V349 PolarHBondContact O-N 2.84Å; R346-V349 VanDerWaalsContact O-N 3.09Å; R346-D350 PolarHBondContact O-N 3.31Å
347Q56.4Low65.8Low120 Ų12095.6 Ų95.656%0.56154%0.537SS*.Hα-helixtrans-64.6-32.8178.3-170.3172.1-25.600112.4I343 L344 T351I343-Q347 WeakPolarHBondContact O-CB 3.29Å; I343-Q347 PolarHBondContact O-N 3.48Å; L344-Q347 PolarHBondContact O-N 2.91Å; Q347-T351 VanDerWaalsContact O-CB 3.26Å; Q347-T351 WeakPolarHBondContact O-CB 3.47Å; Q347-T351 PolarHBondContact O-N 2.75Å; Q347-T351 PolarHBondContact O-OG1 2.78Å
348L60Low67.6Low114 Ų11494.3 Ų94.360%0.59753%0.53SS*.Hα-helixtrans-68.5-40.2169.9-103.766.2000112.4L344 T345 R346 T351 S352L344-L348 WeakPolarHBondContact O-CB 3.47Å; L344-L348 WeakPolarHBondContact O-CD1 3.24Å; L344-L348 PolarHBondContact O-N 3.44Å; T345-L348 PolarHBondContact O-N 3.19Å; R346-L348 VanDerWaalsContact C-N 3.29Å; R346-L348 PolarHBondContact O-N 2.79Å; L348-T351 PolarHBondContact O-N 3.48Å; L348-S352 VanDerWaalsContact O-CB 3.24Å; L348-S352 WeakPolarHBondContact O-CB 3.28Å; L348-S352 PolarHBondContact O-N 3.31Å; L348-S352 PolarHBondContact O-OG 3.29Å
349V66.3Low69.2Low90 Ų9094 Ų9455%0.54552%0.524SS..Hα-helixtrans-61.8-50.4175.3167.70000110.3T345 R346 T351 S352 A353T345-V349 WeakPolarHBondContact O-CG2 3.39Å; T345-V349 PolarHBondContact O-N 3.46Å; R346-V349 PolarHBondContact O-N 2.84Å; R346-V349 VanDerWaalsContact O-N 3.09Å; V349-T351 VanDerWaalsContact C-N 3.34Å; V349-T351 PolarHBondContact O-N 3.47Å; V349-S352 PolarHBondContact O-N 2.9Å; V349-S352 PolarHBondContact O-OG 2.83Å; V349-A353 WeakPolarHBondContact O-CB 2.99Å; V349-A353 PolarHBondContact O-N 2.85Å
350D73.6Confident71.1Confident113 Ų11397.3 Ų97.360%0.60453%0.532SS*.Hα-helixtrans-61.1-40.7177-70.6-35.4000112.1R346 A353 L354R346-D350 PolarHBondContact O-N 3.31Å; D350-A353 PolarHBondContact O-N 2.94Å; D350-L354 WeakPolarHBondContact O-CB 3.46Å; D350-L354 PolarHBondContact O-N 2.93Å
351T80.4Confident73.1Confident70 Ų7097.1 Ų97.143%0.42953%0.533SS..Hα-helixtrans-65.1-42.3175.2-580000111.6Q347 L348 V349 L354 L355Q347-T351 VanDerWaalsContact O-CB 3.26Å; Q347-T351 WeakPolarHBondContact O-CB 3.47Å; Q347-T351 PolarHBondContact O-N 2.75Å; Q347-T351 PolarHBondContact O-OG1 2.78Å; L348-T351 PolarHBondContact O-N 3.48Å; V349-T351 VanDerWaalsContact C-N 3.34Å; V349-T351 PolarHBondContact O-N 3.47Å; T351-L354 PolarHBondContact O-N 3.28Å; T351-L355 HydrophobicContact CG2-CD1 4.21Å; T351-L355 WeakPolarHBondContact O-CB 3.29Å; T351-L355 WeakPolarHBondContact O-CG 3.2Å; T351-L355 PolarHBondContact O-N 3.26Å
352S81.7Confident75Confident66 Ų66100 Ų10046%0.46254%0.541SS..Hα-helixtrans-69.5-34.817973.50000112.3L348 V349 L355 A356L348-S352 VanDerWaalsContact O-CB 3.24Å; L348-S352 WeakPolarHBondContact O-CB 3.28Å; L348-S352 PolarHBondContact O-N 3.31Å; L348-S352 PolarHBondContact O-OG 3.29Å; V349-S352 PolarHBondContact O-N 2.9Å; V349-S352 PolarHBondContact O-OG 2.83Å; S352-L355 PolarHBondContact O-N 3.45Å; S352-A356 VanDerWaalsContact O-CB 3.31Å; S352-A356 WeakPolarHBondContact O-CB 3.22Å; S352-A356 PolarHBondContact O-N 2.92Å
353A86.1Confident76.7Confident49 Ų4997.7 Ų97.741%0.40553%0.533SS..Hα-helixtrans-66.2-43.4172.500000111.1V349 D350 A356 V357V349-A353 WeakPolarHBondContact O-CB 2.99Å; V349-A353 PolarHBondContact O-N 2.85Å; D350-A353 PolarHBondContact O-N 2.94Å; A353-A356 PolarHBondContact O-N 2.91Å; A353-V357 WeakPolarHBondContact O-CG2 3.26Å; A353-V357 PolarHBondContact O-N 3.24Å
354L86.9Confident78.6Confident117 Ų11798.9 Ų98.961%0.61353%0.534SS*.Hα-helixtrans-61.7-45174.3-165.8160.5000111.2D350 T351 V357 L358D350-L354 WeakPolarHBondContact O-CB 3.46Å; D350-L354 PolarHBondContact O-N 2.93Å; T351-L354 PolarHBondContact O-N 3.28Å; L354-V357 PolarHBondContact O-N 3.41Å; L354-L358 VanDerWaalsContact O-CB 3.29Å; L354-L358 WeakPolarHBondContact O-CB 3.15Å; L354-L358 PolarHBondContact O-N 2.91Å
355L85.4Confident80.5Confident90 Ų90100.2 Ų100.247%0.47154%0.536SS..Hα-helixtrans-62.2-41.2174.1-73.7171.1000112.4T351 S352 L358 L359T351-L355 HydrophobicContact CG2-CD1 4.21Å; T351-L355 WeakPolarHBondContact O-CB 3.29Å; T351-L355 WeakPolarHBondContact O-CG 3.2Å; T351-L355 PolarHBondContact O-N 3.26Å; S352-L355 PolarHBondContact O-N 3.45Å; L355-L358 PolarHBondContact O-N 3.29Å; L355-L359 WeakPolarHBondContact O-CB 3.33Å; L355-L359 VanDerWaalsContact O-CG 3.27Å; L355-L359 WeakPolarHBondContact O-CG 3.25Å; L355-L359 PolarHBondContact O-N 3.48Å
356A89.3Confident82.5Confident57 Ų5799.2 Ų99.247%0.47153%0.527SS..Hα-helixtrans-63.8-43.9176.900000111.9S352 A353 L359 F360S352-A356 VanDerWaalsContact O-CB 3.31Å; S352-A356 WeakPolarHBondContact O-CB 3.22Å; S352-A356 PolarHBondContact O-N 2.92Å; A353-A356 PolarHBondContact O-N 2.91Å; A356-L359 PolarHBondContact O-N 3.27Å; A356-F360 VanDerWaalsContact O-CB 3.27Å; A356-F360 WeakPolarHBondContact O-CB 3.33Å; A356-F360 PolarHBondContact O-N 2.88Å
357V92.2Very high84.3Confident109 Ų10994 Ų9466%0.66152%0.516SS*.Hα-helixtrans-63.7-40.4174.2171.30000111.2A353 L354 G361A353-V357 WeakPolarHBondContact O-CG2 3.26Å; A353-V357 PolarHBondContact O-N 3.24Å; L354-V357 PolarHBondContact O-N 3.41Å; V357-G361 PolarHBondContact O-N 3.47Å
358L88.2Confident86.1Confident97 Ų9790 Ų9051%0.50850%0.5SS..Hα-helixtrans-66-45.2177.6-170.9156.6000111.7L354 L355 G361 L362L354-L358 VanDerWaalsContact O-CB 3.29Å; L354-L358 WeakPolarHBondContact O-CB 3.15Å; L354-L358 PolarHBondContact O-N 2.91Å; L355-L358 PolarHBondContact O-N 3.29Å; L358-G361 PolarHBondContact O-N 3.22Å; L358-L362 VanDerWaalsContact O-CB 3.29Å; L358-L362 WeakPolarHBondContact O-CB 3.26Å; L358-L362 PolarHBondContact O-N 3.19Å
359L86.3Confident87.8Confident103 Ų10387.1 Ų87.154%0.53949%0.487SS..Hα-helixtrans-65.3-42.4176.7-72.6171000112L355 A356 L362 L363L355-L359 WeakPolarHBondContact O-CB 3.33Å; L355-L359 VanDerWaalsContact O-CG 3.27Å; L355-L359 WeakPolarHBondContact O-CG 3.25Å; L355-L359 PolarHBondContact O-N 3.48Å; A356-L359 PolarHBondContact O-N 3.27Å; L359-L362 PolarHBondContact O-N 2.94Å; L359-L363 WeakPolarHBondContact O-CB 3.35Å; L359-L363 PolarHBondContact O-N 3.2Å
360F91.3Very high89.2Confident153 Ų15385.4 Ų85.467%0.67148%0.476SS*.Hα-helixtrans-64.9-43.1175.5-172.9-96.8000111.6A356 L363 F364A356-F360 VanDerWaalsContact O-CB 3.27Å; A356-F360 WeakPolarHBondContact O-CB 3.33Å; A356-F360 PolarHBondContact O-N 2.88Å; F360-L363 PolarHBondContact O-N 3.42Å; F360-F364 WeakPolarHBondContact O-CB 3.36Å; F360-F364 PolarHBondContact O-N 2.82Å
361G92.4Very high90.2Very high36 Ų3684.6 Ų84.637%0.37147%0.471SS..Hα-helixtrans-61.8-41.217400000112.8V357 L358 F364 F365V357-G361 PolarHBondContact O-N 3.47Å; L358-G361 PolarHBondContact O-N 3.22Å; G361-F364 PolarHBondContact O-N 3.3Å; G361-F365 WeakPolarHBondContact O-CB 3.33Å; G361-F365 PolarHBondContact O-N 2.89Å
362L90.7Very high90.9Very high92 Ų9287.5 Ų87.548%0.48248%0.479SS..Hα-helixtrans-65.9-43.1176.2-17863.7000112.1L358 L359 F365 L366L358-L362 VanDerWaalsContact O-CB 3.29Å; L358-L362 WeakPolarHBondContact O-CB 3.26Å; L358-L362 PolarHBondContact O-N 3.19Å; L359-L362 PolarHBondContact O-N 2.94Å; L362-F365 PolarHBondContact O-N 2.82Å; L362-L366 WeakPolarHBondContact O-CB 3.32Å; L362-L366 PolarHBondContact O-N 3.1Å
363L89.7Confident91.6Very high94 Ų9489.8 Ų89.849%0.49249%0.485SS..Hα-helixtrans-61.3-48.5173.6-87.4164.3000111.5L359 F360 F365 L366 V367L359-L363 WeakPolarHBondContact O-CB 3.35Å; L359-L363 PolarHBondContact O-N 3.2Å; F360-L363 PolarHBondContact O-N 3.42Å; L363-F365 PolarHBondContact O-N 2.99Å; L363-L366 PolarHBondContact O-N 3.31Å; L363-V367 WeakPolarHBondContact O-CG2 3.48Å; L363-V367 PolarHBondContact O-N 2.95Å
364F92.4Very high91.8Very high135 Ų13589.8 Ų89.859%0.59248%0.48SS*.Hα-helixtrans-62.4-42.2177.9-176.8-97.3000112F360 G361 V367 T368F360-F364 WeakPolarHBondContact O-CB 3.36Å; F360-F364 PolarHBondContact O-N 2.82Å; G361-F364 PolarHBondContact O-N 3.3Å; F364-V367 PolarHBondContact O-N 3.41Å; F364-T368 VanDerWaalsContact O-CB 3.28Å; F364-T368 WeakPolarHBondContact O-CB 3.46Å; F364-T368 PolarHBondContact O-N 2.73Å; F364-T368 PolarHBondContact O-OG1 3.45Å
365F93.4Very high92.1Very high130 Ų13090.1 Ų90.157%0.5748%0.478SS*.Hα-helixtrans-60.2-47174.1175.9-102.4000111.6G361 L362 L363 V367 T368 V369G361-F365 WeakPolarHBondContact O-CB 3.33Å; G361-F365 PolarHBondContact O-N 2.89Å; L362-F365 PolarHBondContact O-N 2.82Å; L363-F365 PolarHBondContact O-N 2.99Å; F365-V367 PolarHBondContact O-N 3.35Å; F365-T368 WeakPolarHBondContact O-CB 3.5Å; F365-T368 PolarHBondContact O-N 2.83Å; F365-V369 HydrophobicContact CD1-CG2 4.26Å; F365-V369 HydrophobicContact CD2-CG2 4.29Å; F365-V369 HydrophobicContact CE1-CG2 3.88Å; F365-V369 HydrophobicContact CE2-CG2 3.91Å; F365-V369 HydrophobicContact CG-CG2 4.46Å; F365-V369 HydrophobicContact CZ-CG2 3.69Å; F365-V369 WeakPolarHBondContact O-CB 3.38Å; F365-V369 WeakPolarHBondContact O-CG2 3.17Å; F365-V369 PolarHBondContact O-N 2.9Å
366L93Very high92.3Very high61 Ų6188.7 Ų88.732%0.31948%0.479SS..Hα-helixtrans-63.9-42.5179.5-170.3150000111.8L16 L362 L363 V369 V370L16-L366 HydrophobicContact CD1-CD1 4.39Å; L362-L366 WeakPolarHBondContact O-CB 3.32Å; L362-L366 PolarHBondContact O-N 3.1Å; L363-L366 PolarHBondContact O-N 3.31Å; L366-V369 PolarHBondContact O-N 2.79Å; L366-V370 HydrophobicContact CD2-CG2 4.23Å; L366-V370 WeakPolarHBondContact O-CG2 3.39Å; L366-V370 PolarHBondContact O-N 3.24Å
367V94.8Very high92.4Very high77 Ų7791 Ų9147%0.46748%0.477SS..Hα-helixtrans-60.4-45.8172.5170.60000111L363 F364 F365 V369 V370 L371L363-V367 WeakPolarHBondContact O-CG2 3.48Å; L363-V367 PolarHBondContact O-N 2.95Å; F364-V367 PolarHBondContact O-N 3.41Å; F365-V367 PolarHBondContact O-N 3.35Å; V367-V369 PolarHBondContact O-N 3.49Å; V367-V370 PolarHBondContact O-N 3.1Å; V367-L371 HydrophobicContact CG1-CD1 4.06Å; V367-L371 HydrophobicContact CG1-CG 4.48Å; V367-L371 WeakPolarHBondContact O-CG 3.23Å; V367-L371 PolarHBondContact O-N 3.4Å
368T94.7Very high92.2Very high38 Ų3892.3 Ų92.323%0.23347%0.473CS..Hα-helixtrans-60.9-44.9178.4-62.90000111.7F364 F365 L371 F372F364-T368 VanDerWaalsContact O-CB 3.28Å; F364-T368 WeakPolarHBondContact O-CB 3.46Å; F364-T368 PolarHBondContact O-N 2.73Å; F364-T368 PolarHBondContact O-OG1 3.45Å; F365-T368 WeakPolarHBondContact O-CB 3.5Å; F365-T368 PolarHBondContact O-N 2.83Å; T368-L371 PolarHBondContact O-N 2.82Å; T368-F372 HydrophobicContact CG2-CD2 3.72Å; T368-F372 HydrophobicContact CG2-CE2 3.56Å; T368-F372 VanDerWaalsContact O-CD2 3.26Å; T368-F372 WeakPolarHBondContact O-CD2 3.2Å; T368-F372 PolarHBondContact O-N 2.95Å
369V96.1Very high92.2Very high52 Ų5291.1 Ų91.132%0.31547%0.473SS..Hα-helixtrans-61.6-45.5174.9169.20000111.1F365 L366 V367 L371 F372 L373F365-V369 HydrophobicContact CD1-CG2 4.26Å; F365-V369 HydrophobicContact CD2-CG2 4.29Å; F365-V369 HydrophobicContact CE1-CG2 3.88Å; F365-V369 HydrophobicContact CE2-CG2 3.91Å; F365-V369 HydrophobicContact CG-CG2 4.46Å; F365-V369 HydrophobicContact CZ-CG2 3.69Å; F365-V369 WeakPolarHBondContact O-CB 3.38Å; F365-V369 WeakPolarHBondContact O-CG2 3.17Å; F365-V369 PolarHBondContact O-N 2.9Å; L366-V369 PolarHBondContact O-N 2.79Å; V367-V369 PolarHBondContact O-N 3.49Å; V369-L371 VanDerWaalsContact C-N 3.32Å; V369-L371 PolarHBondContact O-N 2.84Å; V369-F372 PolarHBondContact O-N 3.14Å; V369-L373 HydrophobicContact CG1-CD1 3.97Å; V369-L373 WeakPolarHBondContact O-CB 3.37Å; V369-L373 WeakPolarHBondContact O-CD1 3.44Å; V369-L373 PolarHBondContact O-N 3.03Å
370V95.2Very high92.2Very high54 Ų5493.3 Ų93.333%0.32748%0.475SS..Hα-helixtrans-62.5-37.5176.8169.40000111.9L366 V367 T374L366-V370 HydrophobicContact CD2-CG2 4.23Å; L366-V370 WeakPolarHBondContact O-CG2 3.39Å; L366-V370 PolarHBondContact O-N 3.24Å; V367-V370 PolarHBondContact O-N 3.1Å; V370-T374 VanDerWaalsContact O-CB 3.27Å; V370-T374 WeakPolarHBondContact O-CB 3.29Å; V370-T374 PolarHBondContact O-N 3.49Å; V370-T374 PolarHBondContact O-OG1 3.2Å
371L94.8Very high91.8Very high96 Ų9690 Ų9050%0.50346%0.459SS..Hα-helixtrans-65.8-47174.2-71.2171.8000111.7V367 T368 V369 T374 Q375V367-L371 HydrophobicContact CG1-CD1 4.06Å; V367-L371 HydrophobicContact CG1-CG 4.48Å; V367-L371 WeakPolarHBondContact O-CG 3.23Å; V367-L371 PolarHBondContact O-N 3.4Å; T368-L371 PolarHBondContact O-N 2.82Å; V369-L371 VanDerWaalsContact C-N 3.32Å; V369-L371 PolarHBondContact O-N 2.84Å; L371-T374 PolarHBondContact O-N 3.2Å; L371-Q375 WeakPolarHBondContact O-CG 3.43Å; L371-Q375 PolarHBondContact O-N 3.45Å
372F95.4Very high91Very high132 Ų13297.9 Ų97.958%0.57948%0.477SS*.Hα-helixtrans-61.4-46.1175.4-83.3-62.6000112.3T368 V369 T374 Q375 A376T368-F372 HydrophobicContact CG2-CD2 3.72Å; T368-F372 HydrophobicContact CG2-CE2 3.56Å; T368-F372 VanDerWaalsContact O-CD2 3.26Å; T368-F372 WeakPolarHBondContact O-CD2 3.2Å; T368-F372 PolarHBondContact O-N 2.95Å; V369-F372 PolarHBondContact O-N 3.14Å; F372-T374 VanDerWaalsContact C-N 3.3Å; F372-T374 PolarHBondContact O-N 3.06Å; F372-Q375 PolarHBondContact O-N 3.27Å; F372-A376 VanDerWaalsContact O-CB 3.29Å; F372-A376 WeakPolarHBondContact O-CB 3.27Å; F372-A376 PolarHBondContact O-N 2.82Å
373L95.1Very high89.9Confident113 Ų113100.9 Ų100.959%0.59249%0.486SS*.Hα-helixtrans-59.1-41.7174.4-96.861.8000111.3V369 Q375 Y377V369-L373 HydrophobicContact CG1-CD1 3.97Å; V369-L373 WeakPolarHBondContact O-CB 3.37Å; V369-L373 WeakPolarHBondContact O-CD1 3.44Å; V369-L373 PolarHBondContact O-N 3.03Å; L373-Q375 PolarHBondContact O-N 2.94Å; L373-Y377 WeakPolarHBondContact O-CB 3.38Å; L373-Y377 PolarHBondContact O-N 3.47Å
374T91.1Very high88.7Confident49 Ų4999 Ų9930%0.30148%0.477SS..Hα-helixtrans-64.7-39.6177.8-61.80000112.2V370 L371 F372 K378V370-T374 VanDerWaalsContact O-CB 3.27Å; V370-T374 WeakPolarHBondContact O-CB 3.29Å; V370-T374 PolarHBondContact O-N 3.49Å; V370-T374 PolarHBondContact O-OG1 3.2Å; L371-T374 PolarHBondContact O-N 3.2Å; F372-T374 VanDerWaalsContact C-N 3.3Å; F372-T374 PolarHBondContact O-N 3.06Å; T374-K378 HydrophobicContact CG2-CD 4.24Å; T374-K378 WeakPolarHBondContact O-CB 3.46Å; T374-K378 VanDerWaalsContact O-CG 3.23Å; T374-K378 WeakPolarHBondContact O-CG 3.41Å; T374-K378 PolarHBondContact O-N 3.04Å; T374-K378 VanDerWaalsContact O-N 3.1Å
375Q92.4Very high87.3Confident125 Ų12599.7 Ų99.758%0.58448%0.476SS*.Hα-helixtrans-70-48.4176.2-69.3177.826.700111.7L371 F372 L373 Y377 K378 S379L371-Q375 WeakPolarHBondContact O-CG 3.43Å; L371-Q375 PolarHBondContact O-N 3.45Å; F372-Q375 PolarHBondContact O-N 3.27Å; L373-Q375 PolarHBondContact O-N 2.94Å; Q375-Y377 VanDerWaalsContact C-N 3.35Å; Q375-Y377 PolarHBondContact O-N 3.44Å; Q375-K378 PolarHBondContact O-N 2.9Å; Q375-S379 WeakPolarHBondContact O-CB 3.41Å; Q375-S379 PolarHBondContact O-N 3.46Å
376A90Very high85.7Confident59 Ų5997.8 Ų97.849%0.48847%0.472SS..Hα-helixtrans-60.5-43177.600000111.6F372 S379 Y380F372-A376 VanDerWaalsContact O-CB 3.29Å; F372-A376 WeakPolarHBondContact O-CB 3.27Å; F372-A376 PolarHBondContact O-N 2.82Å; A376-S379 WeakPolarHBondContact O-CB 3.43Å; A376-S379 PolarHBondContact O-N 3.49Å; A376-Y380 WeakPolarHBondContact O-CB 3.5Å; A376-Y380 PolarHBondContact O-N 3.35Å
377Y92Very high84.1Confident106 Ų106101.4 Ų101.442%0.41649%0.487SS..Hα-helixtrans-63.9-43175.7179.6-94000112.6M1 L373 Q375 S379 Y380 R381M1-Y377 PolarHBondContact SD-OH 3.48Å; L373-Y377 WeakPolarHBondContact O-CB 3.38Å; L373-Y377 PolarHBondContact O-N 3.47Å; Q375-Y377 VanDerWaalsContact C-N 3.35Å; Q375-Y377 PolarHBondContact O-N 3.44Å; Y377-S379 VanDerWaalsContact C-N 3.3Å; Y377-S379 PolarHBondContact O-N 3.25Å; Y377-Y380 PolarHBondContact O-N 3.18Å; Y377-R381 HydrophobicContact CD1-CG 4.26Å; Y377-R381 HydrophobicContact CE1-CG 3.73Å; Y377-R381 HydrophobicContact CE2-CG 4.03Å; Y377-R381 WeakPolarHBondContact O-CB 3.45Å; Y377-R381 WeakPolarHBondContact O-CG 3.34Å; Y377-R381 PolarHBondContact O-N 3.44Å; Y377-R381 PolarHBondContact OH-NE 3.39Å; Y377-R381 VanDerWaalsContact OH-NE 3.14Å
378K87.6Confident82.6Confident136 Ų136102 Ų10259%0.59149%0.491SS*.Hα-helixtrans-63.8-35.3173.9-77172.6-179.1177.50112.3T374 Q375 R382T374-K378 HydrophobicContact CG2-CD 4.24Å; T374-K378 WeakPolarHBondContact O-CB 3.46Å; T374-K378 VanDerWaalsContact O-CG 3.23Å; T374-K378 WeakPolarHBondContact O-CG 3.41Å; T374-K378 PolarHBondContact O-N 3.04Å; T374-K378 VanDerWaalsContact O-N 3.1Å; Q375-K378 PolarHBondContact O-N 2.9Å; K378-R382 WeakPolarHBondContact O-CG 3.47Å; K378-R382 PolarHBondContact O-N 2.82Å
379S87.4Confident81.2Confident73 Ų73103.8 Ų103.851%0.5150%0.499SS..Hα-helixtrans-69.1-48.3175.2-173.80000111.6Q375 A376 Y377 R382Q375-S379 WeakPolarHBondContact O-CB 3.41Å; Q375-S379 PolarHBondContact O-N 3.46Å; A376-S379 WeakPolarHBondContact O-CB 3.43Å; A376-S379 PolarHBondContact O-N 3.49Å; Y377-S379 VanDerWaalsContact C-N 3.3Å; Y377-S379 PolarHBondContact O-N 3.25Å; S379-R382 PolarHBondContact O-N 3.4Å
380Y86.1Confident79.6Confident148 Ų148109.1 Ų109.158%0.5852%0.515SS*.Hα-helixtrans-56.9-52.5176.4-179.3-103.7000111.6A376 Y377 R382 K383A376-Y380 WeakPolarHBondContact O-CB 3.5Å; A376-Y380 PolarHBondContact O-N 3.35Å; Y377-Y380 PolarHBondContact O-N 3.18Å; Y380-R382 PolarHBondContact O-N 2.85Å; Y380-K383 WeakPolarHBondContact O-CB 3.07Å; Y380-K383 PolarHBondContact O-N 2.93Å
381R82.8Confident78.3Confident85 Ų85112.5 Ų112.532%0.32153%0.53SS..Hα-helixtrans-60-20.3179.1-76.6-63.6-118.7142.2-1.3114.9M1 Y377M1-R381 PolarHBondContact SD-NH2 3.27Å; Y377-R381 HydrophobicContact CD1-CG 4.26Å; Y377-R381 HydrophobicContact CE1-CG 3.73Å; Y377-R381 HydrophobicContact CE2-CG 4.03Å; Y377-R381 WeakPolarHBondContact O-CB 3.45Å; Y377-R381 WeakPolarHBondContact O-CG 3.34Å; Y377-R381 PolarHBondContact O-N 3.44Å; Y377-R381 PolarHBondContact OH-NE 3.39Å; Y377-R381 VanDerWaalsContact OH-NE 3.14Å
382R77.1Confident76.7Confident201 Ų201112.5 Ų112.576%0.75853%0.53SS*.Hα-helixtrans-83.2-15.2174.4-77.4-177.4174.8-164.7-1.6113.7K378 S379 Y380K378-R382 WeakPolarHBondContact O-CG 3.47Å; K378-R382 PolarHBondContact O-N 2.82Å; S379-R382 PolarHBondContact O-N 3.4Å; Y380-R382 PolarHBondContact O-N 2.85Å
383K67.3Low75.2Confident154 Ų154110.6 Ų110.667%0.6753%0.526SS*.Hα-helixtrans-78.7-44.8173.2-70-174.3173.3-177.20111.6Y380 Y385 N386 Q387Y380-K383 WeakPolarHBondContact O-CB 3.07Å; Y380-K383 PolarHBondContact O-N 2.93Å; K383-Y385 PolarHBondContact O-N 3.49Å; K383-N386 PolarHBondContact O-N 3.39Å; K383-Q387 PolarHBondContact O-N 3.47Å
384D64.6Low73.7Confident55 Ų55107 Ų10729%0.29452%0.515SS..Hα-helixtrans-60-43.5-177.6-46.2-34.4000112.3N386 Q387 V388D384-N386 PolarHBondContact O-N 3.29Å; D384-Q387 PolarHBondContact O-N 3.33Å; D384-V388 PolarHBondContact O-N 3.3Å
385Y63.2Low72.4Confident150 Ų150111.5 Ų111.559%0.58854%0.535SS*.Hα-helixtrans-59.8-47.6-178-100.5-83.3000112.5K383 Q387 V388 D389K383-Y385 PolarHBondContact O-N 3.49Å; Y385-Q387 VanDerWaalsContact C-N 3.28Å; Y385-Q387 PolarHBondContact O-N 3.1Å; Y385-V388 PolarHBondContact O-N 3.46Å; Y385-D389 PolarHBondContact O-N 3.46Å; Y385-D389 VanDerWaalsContact O-N 3.1Å
386N59.5Low70.8Confident90 Ų90114.3 Ų114.348%0.48154%0.541SS..Hα-helixtrans-58.2-40.3177.8-84.623.2000111.9K383 D384 V388 D389 Y390K383-N386 PolarHBondContact O-N 3.39Å; D384-N386 PolarHBondContact O-N 3.29Å; N386-V388 PolarHBondContact O-N 3.29Å; N386-D389 PolarHBondContact O-N 3.23Å; N386-Y390 HydrophobicContact CB-CD2 4.16Å; N386-Y390 HydrophobicContact CB-CE2 4.02Å; N386-Y390 WeakPolarHBondContact O-CB 3Å; N386-Y390 WeakPolarHBondContact O-CD2 3.38Å; N386-Y390 PolarHBondContact O-N 3.39Å
387Q59Low69.4Low136 Ų136116.1 Ų116.164%0.63655%0.551SS**Hα-helixtrans-68.8-34.4-176.4-166.5170.39.100112.6K383 D384 Y385 L391K383-Q387 PolarHBondContact O-N 3.47Å; D384-Q387 PolarHBondContact O-N 3.33Å; Y385-Q387 VanDerWaalsContact C-N 3.28Å; Y385-Q387 PolarHBondContact O-N 3.1Å; Q387-L391 HydrophobicContact CG-CD1 4.4Å; Q387-L391 WeakPolarHBondContact O-CD1 3.34Å; Q387-L391 PolarHBondContact O-N 3.46Å; Q387-L391 VanDerWaalsContact O-N 3.09Å
388V63.3Low68.1Low89 Ų89118.1 Ų118.154%0.53957%0.569SS.*Hα-helixtrans-69.1-45.1174.2-178.40000110.8D384 Y385 N386 Y390 L391 I392D384-V388 PolarHBondContact O-N 3.3Å; Y385-V388 PolarHBondContact O-N 3.46Å; N386-V388 PolarHBondContact O-N 3.29Å; V388-Y390 VanDerWaalsContact C-N 3.3Å; V388-Y390 PolarHBondContact O-N 3.2Å; V388-L391 PolarHBondContact O-N 3.01Å; V388-I392 HydrophobicContact CG1-CD1 4.4Å; V388-I392 PolarHBondContact O-N 2.84Å; V388-I392 VanDerWaalsContact O-N 3.12Å
389D64.8Low66.8Low77 Ų77116.2 Ų116.241%0.41257%0.573SS.*Hα-helixtrans-65.7-31.5177.4-70.5-27.7000112.1Y385 N386 I392 N393Y385-D389 PolarHBondContact O-N 3.46Å; Y385-D389 VanDerWaalsContact O-N 3.1Å; N386-D389 PolarHBondContact O-N 3.23Å; D389-I392 PolarHBondContact O-N 3.45Å; D389-N393 WeakPolarHBondContact O-CB 3.39Å; D389-N393 PolarHBondContact O-N 3.31Å; D389-N393 PolarHBondContact O-ND2 3.12Å
390Y63.3Low65.7Low163 Ų163115.9 Ų115.964%0.63958%0.58SS**Hα-helixtrans-72.8-30.9172.5-77.6-54.7000113.5N386 V388 G394N386-Y390 HydrophobicContact CB-CD2 4.16Å; N386-Y390 HydrophobicContact CB-CE2 4.02Å; N386-Y390 WeakPolarHBondContact O-CB 3Å; N386-Y390 WeakPolarHBondContact O-CD2 3.38Å; N386-Y390 PolarHBondContact O-N 3.39Å; V388-Y390 VanDerWaalsContact C-N 3.3Å; V388-Y390 PolarHBondContact O-N 3.2Å; Y390-G394 WeakPolarHBondContact O-CA 3.41Å; Y390-G394 PolarHBondContact O-N 3.09Å
391L66.7Low64.1Low125 Ų125119 Ų11965%0.65461%0.614SS**Hα-helixtrans-66.6-39.8170.9-102.370.5000111.4Q387 V388Q387-L391 HydrophobicContact CG-CD1 4.4Å; Q387-L391 WeakPolarHBondContact O-CD1 3.34Å; Q387-L391 PolarHBondContact O-N 3.46Å; Q387-L391 VanDerWaalsContact O-N 3.09Å; V388-L391 PolarHBondContact O-N 3.01Å
392I61.6Low63.1Low97 Ų97120.7 Ų120.750%0.49763%0.629SS.*Hα-helixtrans-68.9-47.6177.8-68.4172.8000111.1V388 D389 Y396V388-I392 HydrophobicContact CG1-CD1 4.4Å; V388-I392 PolarHBondContact O-N 2.84Å; V388-I392 VanDerWaalsContact O-N 3.12Å; D389-I392 PolarHBondContact O-N 3.45Å; I392-Y396 WeakPolarHBondContact O-CD2 3.44Å
393N64.9Low62.4Low92 Ų92116.5 Ų116.549%0.49262%0.622SS.*Hα-helixtrans-77.2-25.9-178.7-69.7-64000113.8D389 M395 Y396 S397D389-N393 WeakPolarHBondContact O-CB 3.39Å; D389-N393 PolarHBondContact O-N 3.31Å; D389-N393 PolarHBondContact O-ND2 3.12Å; N393-M395 VanDerWaalsContact C-N 3.33Å; N393-M395 PolarHBondContact O-N 3.42Å; N393-Y396 PolarHBondContact O-N 3.19Å; N393-S397 PolarHBondContact O-N 3.5Å; N393-S397 PolarHBondContact O-OG 3.22Å
394G64Low62.1Low36 Ų36114.4 Ų114.437%0.37162%0.619SS.*Hα-helixtrans-62.2-40.1173.600000112.4Y390 Y396 S397Y390-G394 WeakPolarHBondContact O-CA 3.41Å; Y390-G394 PolarHBondContact O-N 3.09Å; G394-Y396 PolarHBondContact O-N 3.17Å; G394-S397 WeakPolarHBondContact O-CB 3.37Å; G394-S397 PolarHBondContact O-N 2.95Å
395M63.6Low62Low145 Ų145117.9 Ų117.971%0.71464%0.639SS**THydrogen-bonded Turntrans-58.9-27.2173.8-110.4-65.4-56.500113.8N393N393-M395 VanDerWaalsContact C-N 3.33Å; N393-M395 PolarHBondContact O-N 3.42Å
396Y59Low61.9Low183 Ų183115.9 Ų115.972%0.71864%0.642SS**THydrogen-bonded Turntrans-86.9-8174.9-74.6-76.7000113.9I392 N393 G394I392-Y396 WeakPolarHBondContact O-CD2 3.44Å; N393-Y396 PolarHBondContact O-N 3.19Å; G394-Y396 PolarHBondContact O-N 3.17Å
397S60.5Low62Low97 Ų97117.6 Ų117.668%0.67865%0.652SS**THydrogen-bonded Turntrans-94.9-21.1-175.4-56.90000113.5N393 G394N393-S397 PolarHBondContact O-N 3.5Å; N393-S397 PolarHBondContact O-OG 3.22Å; G394-S397 WeakPolarHBondContact O-CB 3.37Å; G394-S397 PolarHBondContact O-N 2.95Å
398D63.4Low62.3Low149 Ų149116.3 Ų116.380%0.79765%0.654SS**SBendtrans-100.3-3.3-173.9-158.441.1000113.7G400D398-G400 VanDerWaalsContact C-N 3.34Å; D398-G400 PolarHBondContact O-N 3.44Å
399S60.3Low62.2Low96 Ų96118.4 Ų118.467%0.67166%0.662SS**SBendtrans-97.436.4178.657.60000112.8
400G64.9Low62Low65 Ų65121.8 Ų121.867%0.6768%0.683SS**  trans-125.825.4-163.800000116.6D398D398-G400 VanDerWaalsContact C-N 3.34Å; D398-G400 PolarHBondContact O-N 3.44Å
401V51.6Low61.9Low214 Ų214118.1 Ų118.1100%1.29769%0.687SS**  trans-137.80172.6-75.10000111.8

Retrieved 401 of 401 residues in 237.7 ms (Link to these results)