A0A060W0A1_ONCMY Loading...

B-type natriuretic peptide

AlphaFold DB , UniProt , Accession A0A060W0A1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene nppb, Length 144 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
1M43.1Very low64.5Low236 Ų236114.4 Ų114.4100%1.16362%0.624SS**  0128.50-75174.7159.500107.7L3M1-L3 PolarHBondContact O-N 3.37Å
2Q49.1Very low65.8Low169 Ų169111.3 Ų111.379%0.7961%0.611SS**  trans-72.6113.4-160.4-65-110.218.300112.4S4Q2-S4 VanDerWaalsContact C-N 3.3Å; Q2-S4 PolarHBondContact OE1-OG 3.47Å; Q2-S4 VanDerWaalsContact OE1-OG 3.07Å
3L55.7Low66.4Low148 Ų148109.2 Ų109.278%0.77560%0.598SS**  trans-88.26.9171-88.2131.6000113M1 N5 S6M1-L3 PolarHBondContact O-N 3.37Å; L3-N5 PolarHBondContact O-N 2.81Å; L3-S6 PolarHBondContact O-N 3.23Å; L3-S6 PolarHBondContact O-OG 2.74Å
4S59.5Low66.9Low64 Ų64109.1 Ų109.145%0.44860%0.596SS.*THydrogen-bonded Turntrans-69.8-10.1-177.148.30000114.7Q2Q2-S4 VanDerWaalsContact C-N 3.3Å; Q2-S4 PolarHBondContact OE1-OG 3.47Å; Q2-S4 VanDerWaalsContact OE1-OG 3.07Å
5N60.7Low67.2Low112 Ų112111.4 Ų111.460%0.59960%0.598SS**THydrogen-bonded Turntrans-91.5-9.4-179.5-86.4-13.9000114.7L3 F9L3-N5 PolarHBondContact O-N 2.81Å; N5-F9 WeakPolarHBondContact O-CB 3.24Å; N5-F9 PolarHBondContact O-N 2.95Å; N5-F9 VanDerWaalsContact O-N 3.08Å
6S66.6Low67.3Low81 Ų81111.2 Ų111.257%0.56660%0.596SS**Hα-helixtrans-66.8-41.2-179.862.10000114.6L3 F9 G10L3-S6 PolarHBondContact O-N 3.23Å; L3-S6 PolarHBondContact O-OG 2.74Å; S6-F9 PolarHBondContact O-N 3.35Å; S6-G10 PolarHBondContact O-N 2.98Å; S6-G10 VanDerWaalsContact O-N 3.13Å
7P72.5Confident67.3Low77 Ų77110.2 Ų110.250%0.559%0.591SS.*Hα-helixtrans-73-31.8178.430.1-35.2000111.7G10 L11P7-G10 PolarHBondContact O-N 2.88Å; P7-L11 WeakPolarHBondContact O-CB 3.36Å; P7-L11 VanDerWaalsContact O-CG 3.31Å; P7-L11 WeakPolarHBondContact O-CG 2.96Å; P7-L11 PolarHBondContact O-N 2.92Å
8L73.9Confident67Low100 Ų100109.7 Ų109.752%0.52459%0.587SS.*Hα-helixtrans-65.1-41.8175.9-76.8164.5000111.2L11 V12L8-L11 PolarHBondContact O-N 3.19Å; L8-V12 VanDerWaalsContact O-CG2 3.27Å; L8-V12 WeakPolarHBondContact O-CG2 3.41Å; L8-V12 PolarHBondContact O-N 3.29Å
9F72.3Confident66.7Low141 Ų141107.9 Ų107.962%0.61858%0.582SS**Hα-helixtrans-67.1-39.2176.7-148.9-93.3000111.9N5 S6 V12 L13N5-F9 WeakPolarHBondContact O-CB 3.24Å; N5-F9 PolarHBondContact O-N 2.95Å; N5-F9 VanDerWaalsContact O-N 3.08Å; S6-F9 PolarHBondContact O-N 3.35Å; F9-V12 PolarHBondContact O-N 3.35Å; F9-L13 HydrophobicContact CD1-CD1 3.86Å; F9-L13 HydrophobicContact CD1-CG 4.25Å; F9-L13 HydrophobicContact CE1-CD1 4.07Å; F9-L13 HydrophobicContact CE1-CG 4.36Å; F9-L13 WeakPolarHBondContact O-CG 3.16Å; F9-L13 PolarHBondContact O-N 3.4Å
10G77.9Confident66.3Low39 Ų39109.7 Ų109.740%0.40259%0.591SS.*Hα-helixtrans-61.7-42.5173.200000112.9S6 P7 L13 L14S6-G10 PolarHBondContact O-N 2.98Å; S6-G10 VanDerWaalsContact O-N 3.13Å; P7-G10 PolarHBondContact O-N 2.88Å; G10-L13 PolarHBondContact O-N 3.16Å; G10-L14 WeakPolarHBondContact O-CB 3.27Å; G10-L14 PolarHBondContact O-N 3.26Å
11L78.7Confident65.9Low91 Ų91108.9 Ų108.948%0.47659%0.593SS.*Hα-helixtrans-65.4-42.7175.7-74169.6000112P7 L8 L13 L14 F15P7-L11 WeakPolarHBondContact O-CB 3.36Å; P7-L11 VanDerWaalsContact O-CG 3.31Å; P7-L11 WeakPolarHBondContact O-CG 2.96Å; P7-L11 PolarHBondContact O-N 2.92Å; L8-L11 PolarHBondContact O-N 3.19Å; L11-L13 VanDerWaalsContact C-N 3.33Å; L11-L13 PolarHBondContact O-N 3.27Å; L11-L14 WeakPolarHBondContact O-CB 3.4Å; L11-L14 PolarHBondContact O-N 3.41Å; L11-L14 VanDerWaalsContact O-N 3.14Å; L11-F15 WeakPolarHBondContact O-CD2 3.43Å; L11-F15 PolarHBondContact O-N 3.3Å
12V79.2Confident66.4Low78 Ų78101.2 Ų101.247%0.47356%0.563SS.*Hα-helixtrans-60-44.4176.1168.90000111L8 F9 L14 F15 L16L8-V12 VanDerWaalsContact O-CG2 3.27Å; L8-V12 WeakPolarHBondContact O-CG2 3.41Å; L8-V12 PolarHBondContact O-N 3.29Å; F9-V12 PolarHBondContact O-N 3.35Å; V12-L14 VanDerWaalsContact C-N 3.33Å; V12-L14 PolarHBondContact O-N 3.33Å; V12-F15 PolarHBondContact O-N 2.9Å; V12-L16 HydrophobicContact CG1-CD1 3.76Å; V12-L16 WeakPolarHBondContact O-CB 3.5Å; V12-L16 WeakPolarHBondContact O-CD1 3.36Å; V12-L16 VanDerWaalsContact O-CG 3.26Å; V12-L16 WeakPolarHBondContact O-CG 3.43Å; V12-L16 PolarHBondContact O-N 2.92Å
13L73.5Confident66.8Low84 Ų8497.8 Ų97.844%0.4456%0.563SS.*Hα-helixtrans-63.4-38.1174.8-69.6171.9000111.9F9 G10 L11 L16 N17F9-L13 HydrophobicContact CD1-CD1 3.86Å; F9-L13 HydrophobicContact CD1-CG 4.25Å; F9-L13 HydrophobicContact CE1-CD1 4.07Å; F9-L13 HydrophobicContact CE1-CG 4.36Å; F9-L13 WeakPolarHBondContact O-CG 3.16Å; F9-L13 PolarHBondContact O-N 3.4Å; G10-L13 PolarHBondContact O-N 3.16Å; L11-L13 VanDerWaalsContact C-N 3.33Å; L11-L13 PolarHBondContact O-N 3.27Å; L13-L16 PolarHBondContact O-N 3.04Å; L13-N17 PolarHBondContact O-N 3.45Å; L13-N17 VanDerWaalsContact O-N 3.11Å; L13-N17 PolarHBondContact O-ND2 3.44Å
14L74.2Confident66.9Low108 Ų10898.2 Ų98.257%0.56556%0.556SS**Hα-helixtrans-63.6-45.6176.2-172.668.6000111.7G10 L11 V12 L16 N17 L18G10-L14 WeakPolarHBondContact O-CB 3.27Å; G10-L14 PolarHBondContact O-N 3.26Å; L11-L14 WeakPolarHBondContact O-CB 3.4Å; L11-L14 PolarHBondContact O-N 3.41Å; L11-L14 VanDerWaalsContact O-N 3.14Å; V12-L14 VanDerWaalsContact C-N 3.33Å; V12-L14 PolarHBondContact O-N 3.33Å; L14-L16 VanDerWaalsContact C-N 3.32Å; L14-L16 PolarHBondContact O-N 3.36Å; L14-N17 PolarHBondContact O-N 3.02Å; L14-L18 PolarHBondContact O-N 2.68Å
15F70.6Confident66.8Low143 Ų14399 Ų9963%0.62756%0.559SS**Hα-helixtrans-66.1-31.6176.5-77-68.1000113L11 V12 L18 P19L11-F15 WeakPolarHBondContact O-CD2 3.43Å; L11-F15 PolarHBondContact O-N 3.3Å; V12-F15 PolarHBondContact O-N 2.9Å; F15-L18 HydrophobicContact CD1-CD2 4.48Å; F15-P19 WeakPolarHBondContact O-CD 3.41Å
16L69.9Low66.7Low108 Ų108100 Ų10057%0.56557%0.569SS**Hα-helixtrans-72.2-27.1175-74.6161.4000113.3V12 L13 L14 P19V12-L16 HydrophobicContact CG1-CD1 3.76Å; V12-L16 WeakPolarHBondContact O-CB 3.5Å; V12-L16 WeakPolarHBondContact O-CD1 3.36Å; V12-L16 VanDerWaalsContact O-CG 3.26Å; V12-L16 WeakPolarHBondContact O-CG 3.43Å; V12-L16 PolarHBondContact O-N 2.92Å; L13-L16 PolarHBondContact O-N 3.04Å; L14-L16 VanDerWaalsContact C-N 3.32Å; L14-L16 PolarHBondContact O-N 3.36Å; L16-P19 WeakPolarHBondContact O-CD 2.99Å; L16-P19 WeakPolarHBondContact O-CG 3.39Å
17N66.3Low66.2Low95 Ų95102.2 Ų102.251%0.50857%0.566SS.*Hα-helixtrans-90.7-17.4176.5-74.2-74.3000113.3L13 L14 L20L13-N17 PolarHBondContact O-N 3.45Å; L13-N17 VanDerWaalsContact O-N 3.11Å; L13-N17 PolarHBondContact O-ND2 3.44Å; L14-N17 PolarHBondContact O-N 3.02Å; N17-L20 WeakPolarHBondContact O-CB 3.32Å; N17-L20 PolarHBondContact O-N 2.96Å; N17-L20 VanDerWaalsContact O-N 3.08Å
18L61.8Low65.4Low100 Ų100103.8 Ų103.852%0.52457%0.57SS.*Hα-helixtrans-59.4-37.3174.9-147.368.8000114.9L14 F15 L20 S21L14-L18 PolarHBondContact O-N 2.68Å; F15-L18 HydrophobicContact CD1-CD2 4.48Å; L18-L20 PolarHBondContact O-N 3.26Å; L18-S21 PolarHBondContact O-N 2.82Å; L18-S21 PolarHBondContact O-OG 2.87Å
19P61.7Low64.7Low76 Ų76103 Ų10349%0.49459%0.587SS.*Hα-helixtrans-73.2-10.7173.729.3-36.6000113.5F15 L16 S22F15-P19 WeakPolarHBondContact O-CD 3.41Å; L16-P19 WeakPolarHBondContact O-CD 2.99Å; L16-P19 WeakPolarHBondContact O-CG 3.39Å; P19-S22 PolarHBondContact O-OG 3.5Å
20L58.1Low64.2Low144 Ų144103.2 Ų103.275%0.75459%0.593SS**Hα-helixtrans-78.5-23.9174.1-106.169.1000112.2N17 L18N17-L20 WeakPolarHBondContact O-CB 3.32Å; N17-L20 PolarHBondContact O-N 2.96Å; N17-L20 VanDerWaalsContact O-N 3.08Å; L18-L20 PolarHBondContact O-N 3.26Å
21S58.7Low63.6Low93 Ų93104.9 Ų104.965%0.6559%0.592SS**Hα-helixtrans-92.5-9.2174.459.10000113.4L18 A23L18-S21 PolarHBondContact O-N 2.82Å; L18-S21 PolarHBondContact O-OG 2.87Å; S21-A23 VanDerWaalsContact C-N 3.34Å; S21-A23 PolarHBondContact O-N 3.27Å
22S54.7Low63.3Low75 Ų75104 Ų10452%0.52459%0.591SS.*  trans-75.991.6165.667.20000108.8P19 Y24P19-S22 PolarHBondContact O-OG 3.5Å; S22-Y24 PolarHBondContact O-N 2.99Å
23A56.6Low63.2Low96 Ų96106.7 Ų106.779%0.79360%0.603SS**  trans-62.590.3154.600000107S21 P25S21-A23 VanDerWaalsContact C-N 3.34Å; S21-A23 PolarHBondContact O-N 3.27Å; A23-P25 WeakPolarHBondContact O-CD 3.48Å
24Y57Low63.5Low157 Ų157107.9 Ų107.962%0.61661%0.61SS**  trans-63.1117.3167.2-162.9-90.1000105.6S22 V26 N28S22-Y24 PolarHBondContact O-N 2.99Å; Y24-V26 PolarHBondContact O-N 3.37Å; Y24-N28 VanDerWaalsContact CE1-OD1 3.31Å; Y24-N28 WeakPolarHBondContact CE1-OD1 3.49Å; Y24-N28 PolarHBondContact OH-OD1 2.87Å
25P58.5Low63.9Low81 Ų81106.2 Ų106.253%0.52660%0.601SS.*  trans-58123.4177.424.4-31.4000106.1A23 Y27A23-P25 WeakPolarHBondContact O-CD 3.48Å; P25-Y27 HydrophobicContact CB-CD2 3.97Å; P25-Y27 PolarHBondContact O-N 3.45Å
26V57.5Low64.6Low132 Ų132102.8 Ų102.880%0.859%0.588SS**SBendtrans-67.418.4174.8-172.10000110.8Y24 N28Y24-V26 PolarHBondContact O-N 3.37Å; V26-N28 PolarHBondContact O-N 2.87Å; V26-N28 VanDerWaalsContact O-N 3.16Å
27Y56.8Low65.4Low128 Ų128103.5 Ų103.550%0.50259%0.588SS.*  trans-88.253.6173-67.1-95.4000109.6P25 G29 L31 M36P25-Y27 HydrophobicContact CB-CD2 3.97Å; P25-Y27 PolarHBondContact O-N 3.45Å; Y27-G29 VanDerWaalsContact C-N 3.27Å; Y27-G29 PolarHBondContact O-N 3.24Å; Y27-L31 HydrophobicContact CD1-CB 4.16Å; Y27-L31 HydrophobicContact CD1-CD1 3.53Å; Y27-L31 HydrophobicContact CD1-CD2 4.22Å; Y27-L31 HydrophobicContact CD1-CG 4.16Å; Y27-L31 HydrophobicContact CE1-CD1 3.77Å; Y27-L31 HydrophobicContact CE1-CD2 3.76Å; Y27-L31 HydrophobicContact CE1-CG 4.2Å; Y27-L31 HydrophobicContact CG-CD1 4.3Å; Y27-M36 HydrophobicContact CE1-SD 3.93Å
28N56.3Low66.4Low111 Ų111103 Ų10359%0.59459%0.589SS**SBendtrans-77.382.1167.6-90.7-24.7000109Y24 V26 L30Y24-N28 VanDerWaalsContact CE1-OD1 3.31Å; Y24-N28 WeakPolarHBondContact CE1-OD1 3.49Å; Y24-N28 PolarHBondContact OH-OD1 2.87Å; V26-N28 PolarHBondContact O-N 2.87Å; V26-N28 VanDerWaalsContact O-N 3.16Å; N28-L30 PolarHBondContact O-N 3.46Å
29G59.4Low67.6Low84 Ų84101 Ų10187%0.86658%0.578SS**SBendtrans59.51157.200000119.3Y27Y27-G29 VanDerWaalsContact C-N 3.27Å; Y27-G29 PolarHBondContact O-N 3.24Å
30L61.8Low68.9Low144 Ų144101.8 Ų101.875%0.75458%0.578SS**  trans-102.6-16.7-176-166.3135.9000113.3N28 T32N28-L30 PolarHBondContact O-N 3.46Å; L30-T32 PolarHBondContact O-N 3.26Å
31L64.4Low70.6Confident74 Ų7498.5 Ų98.539%0.38756%0.564SS.*  trans-78.3112.2168.6-80105.9000108.7Y27 D35 M36Y27-L31 HydrophobicContact CD1-CB 4.16Å; Y27-L31 HydrophobicContact CD1-CD1 3.53Å; Y27-L31 HydrophobicContact CD1-CD2 4.22Å; Y27-L31 HydrophobicContact CD1-CG 4.16Å; Y27-L31 HydrophobicContact CE1-CD1 3.77Å; Y27-L31 HydrophobicContact CE1-CD2 3.76Å; Y27-L31 HydrophobicContact CE1-CG 4.2Å; Y27-L31 HydrophobicContact CG-CD1 4.3Å; L31-D35 HydrophobicContact CB-CB 4.43Å; L31-D35 HydrophobicContact CD2-CB 3.91Å; L31-D35 HydrophobicContact CG-CB 4.39Å; L31-M36 HydrophobicContact CD2-SD 4.49Å
32T72.8Confident72.1Confident73 Ų7398.5 Ų98.545%0.44856%0.556SS.*  trans-75.6161.8173.160.40000109.5L30 D34 D35 M36L30-T32 PolarHBondContact O-N 3.26Å; T32-D34 PolarHBondContact O-N 3.48Å; T32-D34 VanDerWaalsContact O-N 3.15Å; T32-D35 PolarHBondContact N-OD2 3.4Å; T32-D35 PolarHBondContact O-N 2.9Å; T32-D35 PolarHBondContact OG1-OD2 2.98Å; T32-M36 PolarHBondContact O-N 3.4Å
33N76.7Confident73.7Confident135 Ų13599.3 Ų99.372%0.72255%0.554SS**Hα-helixtrans-55.5-32.8176.6-68.4-61.1000111.5D35 M36 E37N33-D35 PolarHBondContact O-N 2.87Å; N33-M36 WeakPolarHBondContact O-CB 3.35Å; N33-M36 PolarHBondContact O-N 3.37Å; N33-E37 WeakPolarHBondContact O-CG 3.33Å; N33-E37 PolarHBondContact O-N 3.29Å
34D80.4Confident75.2Confident109 Ų109100.6 Ų100.658%0.58354%0.543SS*.Hα-helixtrans-61.3-41.6177-55.6-20.6000112T32 M36 E37 V38T32-D34 PolarHBondContact O-N 3.48Å; T32-D34 VanDerWaalsContact O-N 3.15Å; D34-M36 VanDerWaalsContact C-N 3.29Å; D34-M36 PolarHBondContact O-N 3.49Å; D34-E37 WeakPolarHBondContact O-CB 3.5Å; D34-E37 PolarHBondContact O-N 3Å; D34-V38 WeakPolarHBondContact O-CG2 3.35Å; D34-V38 PolarHBondContact O-N 3.39Å
35D83.1Confident76.6Confident72 Ų72101.4 Ų101.439%0.38555%0.546SS..Hα-helixtrans-66-34.6177.8-59.5-54.2000111.7L31 T32 N33 V38 L39L31-D35 HydrophobicContact CB-CB 4.43Å; L31-D35 HydrophobicContact CD2-CB 3.91Å; L31-D35 HydrophobicContact CG-CB 4.39Å; T32-D35 PolarHBondContact N-OD2 3.4Å; T32-D35 PolarHBondContact O-N 2.9Å; T32-D35 PolarHBondContact OG1-OD2 2.98Å; N33-D35 PolarHBondContact O-N 2.87Å; D35-V38 PolarHBondContact O-N 3.5Å; D35-L39 WeakPolarHBondContact O-CB 3.35Å; D35-L39 PolarHBondContact O-N 3.5Å
36M84.6Confident77.8Confident71 Ų71101.9 Ų101.935%0.3554%0.543SS..Hα-helixtrans-69.3-36.6174.5-69.9-62.7-60.500111.9Y27 L31 T32 N33 D34 L39 N40Y27-M36 HydrophobicContact CE1-SD 3.93Å; L31-M36 HydrophobicContact CD2-SD 4.49Å; T32-M36 PolarHBondContact O-N 3.4Å; N33-M36 WeakPolarHBondContact O-CB 3.35Å; N33-M36 PolarHBondContact O-N 3.37Å; D34-M36 VanDerWaalsContact C-N 3.29Å; D34-M36 PolarHBondContact O-N 3.49Å; M36-L39 PolarHBondContact O-N 3.29Å; M36-L39 HydrophobicContact SD-CD2 4.43Å; M36-N40 WeakPolarHBondContact O-CB 3.42Å; M36-N40 VanDerWaalsContact O-CG 3.26Å; M36-N40 PolarHBondContact O-N 3.48Å; M36-N40 PolarHBondContact O-ND2 2.82Å; M36-N40 VanDerWaalsContact O-ND2 3.14Å
37E85.7Confident79.1Confident123 Ų123102.6 Ų102.658%0.57554%0.538SS*.Hα-helixtrans-63.8-45.1173.1-70.6-176.6-175.800111.5N33 D34 L39 N40 V41N33-E37 WeakPolarHBondContact O-CG 3.33Å; N33-E37 PolarHBondContact O-N 3.29Å; D34-E37 WeakPolarHBondContact O-CB 3.5Å; D34-E37 PolarHBondContact O-N 3Å; E37-L39 VanDerWaalsContact C-N 3.33Å; E37-L39 PolarHBondContact O-N 3.11Å; E37-N40 PolarHBondContact O-N 3.21Å; E37-V41 WeakPolarHBondContact O-CG2 3.43Å; E37-V41 PolarHBondContact O-N 3.28Å
38V87.7Confident80.2Confident85 Ų85104.7 Ų104.752%0.51555%0.549SS..Hα-helixtrans-60.3-44.6175.5174.90000110.8D34 D35 N40 V41 L42D34-V38 WeakPolarHBondContact O-CG2 3.35Å; D34-V38 PolarHBondContact O-N 3.39Å; D35-V38 PolarHBondContact O-N 3.5Å; V38-N40 PolarHBondContact O-N 3Å; V38-V41 PolarHBondContact O-N 3.18Å; V38-L42 HydrophobicContact CG1-CD1 4.22Å; V38-L42 WeakPolarHBondContact O-CG 3.47Å; V38-L42 PolarHBondContact O-N 2.94Å
39L88.4Confident81.1Confident57 Ų57103 Ų10330%0.29855%0.546SS..Hα-helixtrans-60-44.9175.8179.761.7000111.8D35 M36 E37 V41 L42 L43D35-L39 WeakPolarHBondContact O-CB 3.35Å; D35-L39 PolarHBondContact O-N 3.5Å; M36-L39 PolarHBondContact O-N 3.29Å; M36-L39 HydrophobicContact SD-CD2 4.43Å; E37-L39 VanDerWaalsContact C-N 3.33Å; E37-L39 PolarHBondContact O-N 3.11Å; L39-V41 VanDerWaalsContact C-N 3.33Å; L39-V41 PolarHBondContact O-N 3.45Å; L39-L42 WeakPolarHBondContact O-CB 3.5Å; L39-L42 PolarHBondContact O-N 3.23Å; L39-L43 HydrophobicContact CD1-CG 4.39Å; L39-L43 HydrophobicContact CG-CD1 4.29Å; L39-L43 WeakPolarHBondContact O-CG 3.48Å; L39-L43 PolarHBondContact O-N 2.92Å
40N87.7Confident81.7Confident93 Ų93105.9 Ų105.950%0.49754%0.535SS..Hα-helixtrans-62.2-40177.7-77.5-33.4000112.2M36 E37 V38 L42 L43 H44M36-N40 WeakPolarHBondContact O-CB 3.42Å; M36-N40 VanDerWaalsContact O-CG 3.26Å; M36-N40 PolarHBondContact O-N 3.48Å; M36-N40 PolarHBondContact O-ND2 2.82Å; M36-N40 VanDerWaalsContact O-ND2 3.14Å; E37-N40 PolarHBondContact O-N 3.21Å; V38-N40 PolarHBondContact O-N 3Å; N40-L42 VanDerWaalsContact C-N 3.34Å; N40-L42 PolarHBondContact O-N 3.44Å; N40-L43 PolarHBondContact O-N 3.39Å; N40-H44 WeakPolarHBondContact O-CB 3.41Å; N40-H44 PolarHBondContact O-N 3.04Å
41V93.1Very high81.5Confident76 Ų76104.3 Ų104.346%0.46153%0.534SS..Hα-helixtrans-63-41.9174.6171.70000111E37 V38 L39 H44 R45E37-V41 WeakPolarHBondContact O-CG2 3.43Å; E37-V41 PolarHBondContact O-N 3.28Å; V38-V41 PolarHBondContact O-N 3.18Å; L39-V41 VanDerWaalsContact C-N 3.33Å; L39-V41 PolarHBondContact O-N 3.45Å; V41-H44 PolarHBondContact O-N 3.4Å; V41-R45 WeakPolarHBondContact O-CB 3.34Å; V41-R45 WeakPolarHBondContact O-CG 3.42Å; V41-R45 PolarHBondContact O-N 3.29Å
42L90.1Very high81.2Confident93 Ų93108.7 Ų108.749%0.48755%0.552SS.*Hα-helixtrans-64.6-45.5176.6-69.9170.8000111.5V38 L39 N40 H44 R45 L46V38-L42 HydrophobicContact CG1-CD1 4.22Å; V38-L42 WeakPolarHBondContact O-CG 3.47Å; V38-L42 PolarHBondContact O-N 2.94Å; L39-L42 WeakPolarHBondContact O-CB 3.5Å; L39-L42 PolarHBondContact O-N 3.23Å; N40-L42 VanDerWaalsContact C-N 3.34Å; N40-L42 PolarHBondContact O-N 3.44Å; L42-H44 PolarHBondContact O-N 3.49Å; L42-R45 PolarHBondContact O-N 3.29Å; L42-L46 WeakPolarHBondContact O-CB 3.41Å; L42-L46 WeakPolarHBondContact O-CG 3.47Å; L42-L46 PolarHBondContact O-N 3.48Å
43L89Confident80.3Confident91 Ų91113 Ų11348%0.47657%0.572SS.*Hα-helixtrans-61.3-43.4176.3-73.1177.6000112L39 N40 R45 L46 Q47L39-L43 HydrophobicContact CD1-CG 4.39Å; L39-L43 HydrophobicContact CG-CD1 4.29Å; L39-L43 WeakPolarHBondContact O-CG 3.48Å; L39-L43 PolarHBondContact O-N 2.92Å; N40-L43 PolarHBondContact O-N 3.39Å; L43-R45 VanDerWaalsContact C-N 3.34Å; L43-R45 PolarHBondContact O-N 2.97Å; L43-L46 WeakPolarHBondContact O-CB 3.46Å; L43-L46 PolarHBondContact O-N 3.21Å; L43-Q47 WeakPolarHBondContact O-CB 3.49Å; L43-Q47 PolarHBondContact O-N 2.98Å
44H88.6Confident79.3Confident123 Ų123109.6 Ų109.657%0.56956%0.558SS**Hα-helixtrans-63.8-39.2176.6-178-89.4000112.1N40 V41 L42 K48N40-H44 WeakPolarHBondContact O-CB 3.41Å; N40-H44 PolarHBondContact O-N 3.04Å; V41-H44 PolarHBondContact O-N 3.4Å; L42-H44 PolarHBondContact O-N 3.49Å; H44-K48 WeakPolarHBondContact O-CB 3.16Å; H44-K48 PolarHBondContact O-N 3.41Å
45R86.8Confident78Confident175 Ų175113.1 Ų113.166%0.6657%0.571SS**Hα-helixtrans-65.8-40.3173.8-75.8-179.6179.8-159.91.5112V41 L42 L43 K48 S49V41-R45 WeakPolarHBondContact O-CB 3.34Å; V41-R45 WeakPolarHBondContact O-CG 3.42Å; V41-R45 PolarHBondContact O-N 3.29Å; L42-R45 PolarHBondContact O-N 3.29Å; L43-R45 VanDerWaalsContact C-N 3.34Å; L43-R45 PolarHBondContact O-N 2.97Å; R45-K48 PolarHBondContact O-N 3.28Å; R45-S49 WeakPolarHBondContact O-CB 3.1Å; R45-S49 PolarHBondContact O-N 2.98Å; R45-S49 PolarHBondContact O-OG 3.01Å
46L83.8Confident76.5Confident91 Ų91115.7 Ų115.748%0.47659%0.589SS.*Hα-helixtrans-62.3-50.7174.8-75.4171.7000110.5L42 L43 K48 S49 F50L42-L46 WeakPolarHBondContact O-CB 3.41Å; L42-L46 WeakPolarHBondContact O-CG 3.47Å; L42-L46 PolarHBondContact O-N 3.48Å; L43-L46 WeakPolarHBondContact O-CB 3.46Å; L43-L46 PolarHBondContact O-N 3.21Å; L46-K48 PolarHBondContact O-N 3.42Å; L46-S49 WeakPolarHBondContact CA-OG 3.36Å; L46-S49 CarbonylContact O-C 3.57Å; L46-S49 WeakPolarHBondContact O-CA 3.33Å; L46-S49 WeakPolarHBondContact O-CB 3.35Å; L46-S49 PolarHBondContact O-N 3.14Å; L46-S49 PolarHBondContact O-OG 3.35Å; L46-F50 HydrophobicContact CB-CE2 4.3Å; L46-F50 WeakPolarHBondContact O-CD2 3.35Å; L46-F50 PolarHBondContact O-N 3.18Å
47Q83.8Confident74.8Confident146 Ų146121.3 Ų121.368%0.68262%0.615SS**Hα-helixtrans-54.7-41.5175.6-177.1176.2-5.400111.9L43 S49 F50L43-Q47 WeakPolarHBondContact O-CB 3.49Å; L43-Q47 PolarHBondContact O-N 2.98Å; Q47-S49 VanDerWaalsContact C-N 3.33Å; Q47-F50 PolarHBondContact O-N 3.02Å; Q47-F50 VanDerWaalsContact O-O 3.06Å
48K79.3Confident73Confident172 Ų172127 Ų12775%0.74863%0.631SS**Hα-helixtrans-69.4-29.7175.3-173172.6-178.61700113.4H44 R45 L46 F50H44-K48 WeakPolarHBondContact O-CB 3.16Å; H44-K48 PolarHBondContact O-N 3.41Å; R45-K48 PolarHBondContact O-N 3.28Å; L46-K48 PolarHBondContact O-N 3.42Å; K48-F50 VanDerWaalsContact C-N 3.35Å
49S76.4Confident71.1Confident76 Ų76129 Ų12953%0.53164%0.643SS.*Hα-helixtrans-78.9-18178.272.10000113.6R45 L46 Q47 P51R45-S49 WeakPolarHBondContact O-CB 3.1Å; R45-S49 PolarHBondContact O-N 2.98Å; R45-S49 PolarHBondContact O-OG 3.01Å; L46-S49 WeakPolarHBondContact CA-OG 3.36Å; L46-S49 CarbonylContact O-C 3.57Å; L46-S49 WeakPolarHBondContact O-CA 3.33Å; L46-S49 WeakPolarHBondContact O-CB 3.35Å; L46-S49 PolarHBondContact O-N 3.14Å; L46-S49 PolarHBondContact O-OG 3.35Å; Q47-S49 VanDerWaalsContact C-N 3.33Å; S49-P51 WeakPolarHBondContact O-CD 3.11Å
50F70.9Confident69Low144 Ų144131.2 Ų131.263%0.63266%0.663SS**SBendtrans-85.5104.9165.6-66.2-72.1000107.6L46 Q47 K48 E52L46-F50 HydrophobicContact CB-CE2 4.3Å; L46-F50 WeakPolarHBondContact O-CD2 3.35Å; L46-F50 PolarHBondContact O-N 3.18Å; Q47-F50 PolarHBondContact O-N 3.02Å; Q47-F50 VanDerWaalsContact O-O 3.06Å; K48-F50 VanDerWaalsContact C-N 3.35Å; F50-E52 PolarHBondContact O-N 3.01Å
51P59.3Low66.6Low111 Ų111132.7 Ų132.772%0.72168%0.676SS**  trans-59.1120166.627-31.6000106.4S49 L53S49-P51 WeakPolarHBondContact O-CD 3.11Å; P51-L53 PolarHBondContact O-N 3.36Å
52E57.2Low64.1Low166 Ų166138.2 Ų138.278%0.77670%0.697SS**  trans-9.693.8166.3-146.6177161.700112.6F50 S54F50-E52 PolarHBondContact O-N 3.01Å; E52-S54 WeakPolarHBondContact CG-OG 3.49Å; E52-S54 PolarHBondContact O-N 3.4Å
53L53.8Low61.7Low165 Ų165142.1 Ų142.186%0.86471%0.71SS**  trans-73.844.1162-100.1170000108.8P51 E55P51-L53 PolarHBondContact O-N 3.36Å; L53-E55 PolarHBondContact O-N 3.08Å
54S55.2Low59.2Low62 Ų62143.1 Ų143.143%0.43472%0.724SS.*THydrogen-bonded Turntrans-69.5106.2160.953.80000106.4E52E52-S54 WeakPolarHBondContact CG-OG 3.49Å; E52-S54 PolarHBondContact O-N 3.4Å
55E52.9Low56.6Low184 Ų184143.2 Ų143.286%0.8673%0.729SS**THydrogen-bonded Turntrans149.9-0.3141.9-79.6179.6175.400115L53L53-E55 PolarHBondContact O-N 3.08Å
56V52.7Low54.3Low126 Ų126142 Ų14276%0.76474%0.736SS**SBendtrans-125.254.3-178.2-162.20000113
57E47.6Very low52Low188 Ų188143.1 Ų143.188%0.87975%0.746SS**SBendtrans-167.356.1149-155.3141.5-175.500111.3
58R48.8Very low49.8Very low242 Ų242142.3 Ų142.391%0.91375%0.751SS**  trans-126.135.8166.9-66.7-160.8-142.9154.67.1112.6
59V47.8Very low48.1Very low128 Ų128139.4 Ų139.478%0.77675%0.75SS**SBendtrans-137.3123.3170.9-178.90000108.9
60S43.4Very low46.3Very low104 Ų104144.8 Ų144.873%0.72777%0.766SS**SBendtrans71.2115167.770.40000114.6
61T38.8Very low44.5Very low124 Ų124141.9 Ų141.976%0.76177%0.769SS**  cis-163.6103.731.4-52.50000107.9
62E40.8Very low43.2Very low192 Ų192145.4 Ų145.490%0.89778%0.778SS**  trans-74.5135.5148.7-75.8-174.1155.300107.3
63K39.5Very low42.2Very low175 Ų175141.8 Ų141.876%0.76178%0.776SS**  trans82.9101.1156.6-160.1157-172.41680119.1
64S36.6Very low41.3Very low111 Ų111142.1 Ų142.178%0.77678%0.776SS**  -17197.6128-170.90000105.5
65D33.6Very low40.6Very low125 Ų125145.3 Ų145.367%0.66879%0.792SS**  46.2108.295.3-72.6-25.8000112.3
66D37.3Very low39.9Very low150 Ų150141.3 Ų141.380%0.80279%0.791SS**  trans19.8132.8139.3-166.440.1000118.1
67V35.3Very low39.4Very low115 Ų115143.9 Ų143.970%0.69780%0.795SS**  trans143.794.1147.1173.10000109.8
68T39.2Very low38.8Very low128 Ų128141.8 Ų141.879%0.78579%0.789SS**  trans-64.9137.6141.229.30000108.1
69P42Very low38.6Very low111 Ų111137.9 Ų137.972%0.72178%0.782SS**  -149.8151.885.834.9-14.8000115.9
70E39.4Very low38.3Very low189 Ų189142.9 Ų142.988%0.88379%0.786SS**  trans-48.6129.2161.9-51.9171.3170.800111.9
71A33.3Very low38.3Very low83 Ų83147.1 Ų147.169%0.68680%0.795SS**  trans-179.4112.9142.900000112.3
72M32.2Very low38.2Very low186 Ų186149.7 Ų149.792%0.91680%0.798SS**  78.4132.6125.3-63-179.8154.500121
73A36Very low38.5Very low89 Ų89146.4 Ų146.474%0.73679%0.793SS**  trans9090.3142.300000117.6
74M34.3Very low38.6Very low173 Ų173146.6 Ų146.685%0.85280%0.797SS**  47.9114.2115.3-78.2172.735.900119.1
75V40.2Very low39.5Very low129 Ų129148.2 Ų148.278%0.78280%0.803SS**  trans61.2101.6133.3-163.90000116.9
76A39.3Very low40.2Very low100 Ų100151.1 Ų151.183%0.82680%0.804SS**  -156.2125.3127.100000108.9
77E42.8Very low41.1Very low180 Ų180148.2 Ų148.284%0.84179%0.794SS**  trans-53.5140.1173.6-57.6-95145.200111.5
78D34.8Very low42.1Very low144 Ų144148 Ų14877%0.7779%0.788SS**  trans-146.3128.5144-166.826.6000109.6
79E45.1Very low43.2Very low160 Ų160148 Ų14875%0.74878%0.777SS**  trans-72.4126.7-171.6-64.8-177.4106.900111.3
80R41.1Very low44.1Very low232 Ų232145.2 Ų145.288%0.87576%0.764SS**  trans-135.6102154.7-69.3-69.5175.5162.7-3.7108.9Q82R80-Q82 PolarHBondContact O-N 3.15Å
81E42.4Very low45Very low193 Ų193139.3 Ų139.390%0.90274%0.741SS**  trans-57.2125.8169-64.6179.7115.100111.2
82Q37.5Very low46.2Very low178 Ų178138.6 Ų138.683%0.83273%0.728SS**  trans-152131.1145.6-153.5165.423.200110.7R80 Q84R80-Q82 PolarHBondContact O-N 3.15Å; Q82-Q84 PolarHBondContact O-N 2.8Å
83P47Very low47.6Very low123 Ų123139.3 Ų139.380%0.79972%0.721SS**  trans-83.1114.7-165.930.9-32.1000111.2
84Q42Very low48.7Very low179 Ų179140.6 Ų140.684%0.83672%0.715SS**  trans-122.5115.2162.1-67.5-169.66.500109Q82 R86Q82-Q84 PolarHBondContact O-N 2.8Å; Q84-R86 VanDerWaalsContact C-N 3.34Å; Q84-R86 PolarHBondContact O-N 2.96Å
85T54.3Low49.8Very low146 Ų146139.5 Ų139.590%0.89671%0.706SS**  trans-50.192.2175.6-45.90000110P87T85-P87 VanDerWaalsContact O-CD 3.24Å; T85-P87 WeakPolarHBondContact O-CD 3.31Å
86R47.9Very low50.7Low185 Ų185139.3 Ų139.370%0.69870%0.7SS**  trans-78.9110.8173.7-171.3178.3-168.4133.312.3107.1Q84 D88Q84-R86 VanDerWaalsContact C-N 3.34Å; Q84-R86 PolarHBondContact O-N 2.96Å; R86-D88 PolarHBondContact O-N 3.05Å
87P57.3Low51.9Low90 Ų90137.5 Ų137.558%0.58468%0.681SS**  trans-63.9127.2171.726.6-31.1000107.6T85 K89T85-P87 VanDerWaalsContact O-CD 3.24Å; T85-P87 WeakPolarHBondContact O-CD 3.31Å; P87-K89 PolarHBondContact O-N 3.02Å
88D56.8Low52.7Low110 Ų110132.7 Ų132.759%0.58867%0.673SS**  trans-61.8130.1-173-164.67.1000109.9R86 A90 T91R86-D88 PolarHBondContact O-N 3.05Å; D88-A90 PolarHBondContact O-N 3.45Å; D88-T91 PolarHBondContact O-N 3.16Å; D88-T91 PolarHBondContact O-OG1 2.87Å
89K61.8Low53.9Low127 Ų127135.9 Ų135.955%0.55267%0.674SS**Hα-helixtrans-62.6-16.3-169.6-52.9179.7-172.4-178.70112.4P87 T92P87-K89 PolarHBondContact O-N 3.02Å; K89-T92 PolarHBondContact O-OG1 3.34Å
90A59.5Low54.7Low54 Ų54132.5 Ų132.545%0.44666%0.661SS.*Hα-helixtrans-69.3-46.4172.900000111.7D88 T92 R93D88-A90 PolarHBondContact O-N 3.45Å; A90-T92 VanDerWaalsContact C-N 3.33Å; A90-T92 PolarHBondContact O-N 2.97Å; A90-R93 PolarHBondContact O-N 2.78Å; A90-R93 VanDerWaalsContact O-N 3.16Å
91T58.4Low55.6Low64 Ų64126.3 Ų126.339%0.39365%0.645SS.*Hα-helixtrans-65-36.2-176.461.80000112.5D88 R93 D94 F95D88-T91 PolarHBondContact O-N 3.16Å; D88-T91 PolarHBondContact O-OG1 2.87Å; T91-R93 VanDerWaalsContact C-N 3.31Å; T91-R93 PolarHBondContact O-N 3.02Å; T91-D94 PolarHBondContact O-N 3.08Å; T91-F95 WeakPolarHBondContact O-CD2 3.31Å; T91-F95 WeakPolarHBondContact O-CE2 3.26Å
92T59.5Low56.4Low69 Ų69124.1 Ų124.142%0.42363%0.632SS.*Hα-helixtrans-69.6-23.9178.132.40000113.6K89 A90 L96K89-T92 PolarHBondContact O-OG1 3.34Å; A90-T92 VanDerWaalsContact C-N 3.33Å; A90-T92 PolarHBondContact O-N 2.97Å; T92-L96 WeakPolarHBondContact O-CG 3.49Å
93R60.5Low57.5Low200 Ų200119.4 Ų119.476%0.75562%0.615SS**Hα-helixtrans-75-32.5173.8-80.2-178.4179.9162.20.5112.3A90 T91 L96 S97A90-R93 PolarHBondContact O-N 2.78Å; A90-R93 VanDerWaalsContact O-N 3.16Å; T91-R93 VanDerWaalsContact C-N 3.31Å; T91-R93 PolarHBondContact O-N 3.02Å; R93-L96 PolarHBondContact O-N 3.02Å; R93-S97 PolarHBondContact O-N 3.11Å
94D60.5Low58.1Low117 Ų117117.9 Ų117.963%0.62660%0.604SS**Hα-helixtrans-68.9-39.3-178.3-63.7-28.8000111.4T91 L96 S97T91-D94 PolarHBondContact O-N 3.08Å; D94-L96 VanDerWaalsContact C-N 3.26Å; D94-L96 PolarHBondContact O-N 3.25Å; D94-S97 VanDerWaalsContact O-CB 3.27Å; D94-S97 WeakPolarHBondContact O-CB 3.47Å; D94-S97 PolarHBondContact O-N 2.76Å
95F57.7Low59Low149 Ų149118.9 Ų118.965%0.65460%0.6SS**THydrogen-bonded Turntrans-70.6-15.9175.7-64.5-67.7000114.8T91T91-F95 WeakPolarHBondContact O-CD2 3.31Å; T91-F95 WeakPolarHBondContact O-CE2 3.26Å
96L59Low59.1Low126 Ų126116.4 Ų116.466%0.6658%0.581SS**THydrogen-bonded Turntrans-102.39.6177.5-62178.6000112.3T92 R93 D94 A98T92-L96 WeakPolarHBondContact O-CG 3.49Å; R93-L96 PolarHBondContact O-N 3.02Å; D94-L96 VanDerWaalsContact C-N 3.26Å; D94-L96 PolarHBondContact O-N 3.25Å; L96-A98 PolarHBondContact O-N 3.36Å
97S63.4Low59.6Low61 Ų61112.6 Ų112.643%0.42758%0.575SS.*  trans-61.4134.2175.2-177.90000110.7R93 D94 R99 D100R93-S97 PolarHBondContact O-N 3.11Å; D94-S97 VanDerWaalsContact O-CB 3.27Å; D94-S97 WeakPolarHBondContact O-CB 3.47Å; D94-S97 PolarHBondContact O-N 2.76Å; S97-R99 PolarHBondContact O-N 3.44Å; S97-D100 PolarHBondContact O-N 3.38Å
98A59.9Low59.5Low80 Ų80111.4 Ų111.466%0.66157%0.568SS**THydrogen-bonded Turntrans-57.2-14.5-174.700000114.5L96L96-A98 PolarHBondContact O-N 3.36Å
99R60.7Low59.4Low211 Ų211115.5 Ų115.580%0.79658%0.576SS**THydrogen-bonded Turntrans-70.2-42174.1-121.8178.7-176.7169.70.7112.4S97 K102S97-R99 PolarHBondContact O-N 3.44Å; R99-K102 PolarHBondContact O-N 2.99Å
100D60.5Low59.1Low88 Ų88113.6 Ų113.647%0.47158%0.578SS.*Hα-helixtrans-78.2-28-178.3-80.1-8.6000112.4S97 K102 T103S97-D100 PolarHBondContact O-N 3.38Å; D100-K102 PolarHBondContact O-N 2.92Å; D100-T103 PolarHBondContact O-N 3.47Å; D100-T103 PolarHBondContact O-OG1 3.14Å
101L60Low59Low103 Ų103119.4 Ų119.454%0.53959%0.594SS.*Hα-helixtrans-68.8-19.7173.3-62.6176.9000112.9R105L101-R105 PolarHBondContact O-N 2.96Å
102K60.5Low58.9Low146 Ų146126.4 Ų126.464%0.63561%0.613SS**Hα-helixtrans-80.9-31.1-178.4-156.7174.9-176.9-178.50112.5R99 D100 R105 N106R99-K102 PolarHBondContact O-N 2.99Å; D100-K102 PolarHBondContact O-N 2.92Å; K102-R105 PolarHBondContact O-N 3.45Å; K102-N106 PolarHBondContact O-N 3.02Å
103T60.8Low58.7Low79 Ų79134 Ų13449%0.48564%0.635SS.*Hα-helixtrans-69.2-44.3175.557.80000110.5D100 R105 N106 D107D100-T103 PolarHBondContact O-N 3.47Å; D100-T103 PolarHBondContact O-OG1 3.14Å; T103-R105 VanDerWaalsContact C-N 3.28Å; T103-R105 PolarHBondContact O-N 3.42Å; T103-N106 PolarHBondContact O-N 2.95Å; T103-N106 VanDerWaalsContact O-N 3.11Å; T103-D107 PolarHBondContact O-N 2.93Å
104V59.7Low58.6Low92 Ų92129.2 Ų129.256%0.55863%0.632SS**Hα-helixtrans-56.7-40.8174.3178.80000111.9S108V104-S108 PolarHBondContact O-N 3.38Å; V104-S108 PolarHBondContact O-OG 3.47Å
105R59.1Low58.6Low200 Ų200126.1 Ų126.176%0.75563%0.628SS**Hα-helixtrans-72.6-28.8-180-162.3169.6-178.9106-3.9113.2L101 K102 T103L101-R105 PolarHBondContact O-N 2.96Å; K102-R105 PolarHBondContact O-N 3.45Å; T103-R105 VanDerWaalsContact C-N 3.28Å; T103-R105 PolarHBondContact O-N 3.42Å
106N57.9Low58.7Low93 Ų93121.2 Ų121.250%0.49761%0.612SS.*Hα-helixtrans-80.7-37.8177-87.4-22.9000112.8K102 T103 S108 R109 S110K102-N106 PolarHBondContact O-N 3.02Å; T103-N106 PolarHBondContact O-N 2.95Å; T103-N106 VanDerWaalsContact O-N 3.11Å; N106-S108 PolarHBondContact O-N 3.39Å; N106-R109 PolarHBondContact O-N 3.36Å; N106-S110 PolarHBondContact O-N 3.08Å
107D57.6Low58.6Low106 Ų106124.8 Ų124.857%0.56762%0.622SS**Hα-helixtrans-62.2-29.2172.2-80.1-17.5000112.3T103 R109 S110T103-D107 PolarHBondContact O-N 2.93Å; D107-R109 VanDerWaalsContact C-N 3.25Å; D107-R109 PolarHBondContact O-N 3.13Å; D107-S110 PolarHBondContact O-OG 3.23Å
108S55.5Low58.4Low64 Ų64125.4 Ų125.445%0.44864%0.638SS.*Hα-helixtrans-71.3-15.8173.7-59.10000114V104 N106 R112V104-S108 PolarHBondContact O-N 3.38Å; V104-S108 PolarHBondContact O-OG 3.47Å; N106-S108 PolarHBondContact O-N 3.39Å; S108-R112 WeakPolarHBondContact O-CG 3.38Å
109R55.5Low58.3Low197 Ų197133.2 Ų133.274%0.74365%0.651SS**Hα-helixtrans-92.9-33.5175.5-98.2-176.4176.8158.3-2.5112.4N106 D107 K111N106-R109 PolarHBondContact O-N 3.36Å; D107-R109 VanDerWaalsContact C-N 3.25Å; D107-R109 PolarHBondContact O-N 3.13Å; R109-K111 VanDerWaalsContact C-N 3.34Å
110S55.3Low58.1Low87 Ų87134.1 Ų134.161%0.60865%0.654SS**Hα-helixtrans-72.9-24.5-179.771.80000113.3N106 D107 R112N106-S110 PolarHBondContact O-N 3.08Å; D107-S110 PolarHBondContact O-OG 3.23Å; S110-R112 PolarHBondContact O-N 3.2Å
111K55.9Low58Low176 Ų176138.5 Ų138.577%0.76567%0.674SS**THydrogen-bonded Turntrans-84.33.8177.4-72.6-177.4178.3176.50115.7R109 Y113R109-K111 VanDerWaalsContact C-N 3.34Å; K111-Y113 VanDerWaalsContact C-N 3.33Å; K111-Y113 PolarHBondContact O-N 3.48Å
112R56.6Low57.9Low210 Ų210137.3 Ų137.379%0.79267%0.668SS**  trans-90.220.6-177.9-65-160.4-167.5-167.90.9115.1S108 S110S108-R112 WeakPolarHBondContact O-CG 3.38Å; S110-R112 PolarHBondContact O-N 3.2Å
113Y56.7Low58.5Low228 Ų228141.1 Ų141.189%0.89468%0.679SS**  trans-123.553179.6-158-96.9000112.1K111K111-Y113 VanDerWaalsContact C-N 3.33Å; K111-Y113 PolarHBondContact O-N 3.48Å
114S58.3Low58.6Low100 Ų100146.2 Ų146.270%0.69970%0.701SS**SBendtrans-130.4104.2155.459.80000106.7
115G59.9Low58.7Low52 Ų52145.5 Ų145.554%0.53671%0.712SS.*  trans-73.1157.1-16000000115.9C132G115-C132 WeakPolarHBondContact O-CB 3.09Å
116C60.1Low58.5Low47 Ų47139.8 Ų139.832%0.31870%0.703SS.*SBendtrans-177.6-23.9139.5-168.30000112.7G131 C132C116-G131 PolarHBondContact SG-O 3.42Å; C116-C132 VanDerWaalsContact CA-SG 3.51Å; C116-C132 HydrophobicContact CB-CB 3.57Å; C116-C132 PolarHBondContact SG-N 3.32Å; C116-C132 VanDerWaalsContact SG-N 3.4Å
117F56.6Low58.6Low200 Ų200143.8 Ų143.888%0.87772%0.721SS**SBendtrans-141.8116.6-175.2-83-88.3000109.1
118G60.1Low58.4Low74 Ų74143 Ų14376%0.76372%0.723SS**  trans148.149.4165.400000116.6
119R56.8Low58.6Low245 Ų245144.4 Ų144.493%0.92573%0.734SS**SBendtrans-120.6-46.5151.7-74.8-162.9163.9-147.1-4.6115
120R56.7Low58.7Low229 Ų229143 Ų14386%0.86474%0.74SS**  trans-151.6133.4170-59.5-174.6-171-111.6-1.3107.7D122R120-D122 PolarHBondContact O-N 2.75Å
121M57.5Low58.5Low181 Ų181141.2 Ų141.289%0.89274%0.735SS**  trans-70.3110.5165.4-174.4-172.1-65.600105.4R123M121-R123 PolarHBondContact O-N 3.42Å; M121-R123 VanDerWaalsContact O-N 3.13Å
122D59.4Low58.5Low78 Ų78136.4 Ų136.442%0.41772%0.723SS.*  trans-61.7116.7170.5-80.3-47.1000107.4R120 S128R120-D122 PolarHBondContact O-N 2.75Å; D122-S128 WeakPolarHBondContact OD2-CB 3.27Å; D122-S128 PolarHBondContact OD2-OG 3.13Å
123R72.8Confident58.4Low226 Ų226132.4 Ų132.485%0.85372%0.722SS**  trans-59.6144.7175.8-73.8179172.6176.3-3.5108.1M121 G125 S126M121-R123 PolarHBondContact O-N 3.42Å; M121-R123 VanDerWaalsContact O-N 3.13Å; R123-G125 PolarHBondContact O-N 3.07Å; R123-S126 PolarHBondContact O-N 3.4Å
124I62.6Low58.3Low186 Ų186127.5 Ų127.595%0.95472%0.716SS**THydrogen-bonded Turntrans-44.4112.9-175.7-61.3166.7000110
125G62.5Low58.1Low77 Ų77128.6 Ų128.679%0.79472%0.718SS**THydrogen-bonded Turntrans132.1-23.6-178.100000115.2R123R123-G125 PolarHBondContact O-N 3.07Å
126S55.1Low57.5Low79 Ų79129 Ų12955%0.55272%0.722SS**  trans-96.1109.2173.5-69.20000110.5R123 S128R123-S126 PolarHBondContact O-N 3.4Å; S126-S128 PolarHBondContact O-N 3.25Å
127M59.2Low57.3Low177 Ų177135.6 Ų135.687%0.87275%0.746SS**  trans-72.891.9174.7-67.5-165.373.300111.1
128S54.4Low57Low89 Ų89136.9 Ų136.962%0.62275%0.746SS**  trans-96.794.6161.5-67.60000108.6D122 S126 L130D122-S128 WeakPolarHBondContact OD2-CB 3.27Å; D122-S128 PolarHBondContact OD2-OG 3.13Å; S126-S128 PolarHBondContact O-N 3.25Å; S128-L130 PolarHBondContact O-N 2.53Å
129S58.3Low56.5Low95 Ų95138.6 Ų138.666%0.66475%0.747SS**  trans-80.8-0.2-164.956.70000116.4
130L58.2Low56Low166 Ų166135.2 Ų135.287%0.86974%0.741SS**  trans-145.887.9-169.8-67170.7000112.4S128S128-L130 PolarHBondContact O-N 2.53Å
131G51.7Low55.3Low50 Ų50134.7 Ų134.752%0.51575%0.746SS.*  trans-103.1118.2163.700000110.1C116C116-G131 PolarHBondContact SG-O 3.42Å
132C55.8Low54.8Low75 Ų75129.2 Ų129.251%0.50774%0.736SS.*  trans5.1121.5176.7-49.80000121.5G115 C116G115-C132 WeakPolarHBondContact O-CB 3.09Å; C116-C132 VanDerWaalsContact CA-SG 3.51Å; C116-C132 HydrophobicContact CB-CB 3.57Å; C116-C132 PolarHBondContact SG-N 3.32Å; C116-C132 VanDerWaalsContact SG-N 3.4Å
133T53.3Low53.8Low126 Ų126131.9 Ų131.977%0.77376%0.76SS**  trans-97.5121.3157.449.90000109.9
134T55Low52.2Low125 Ų125128.5 Ų128.577%0.76780%0.796SS**  trans-97.392.2161.152.40000108.1G136T134-G136 PolarHBondContact O-N 3.04Å
135V53.6Low51.6Low123 Ų123125.7 Ų125.775%0.74579%0.788SS**  trans-7295.2175.9-171.40000108.7K137V135-K137 PolarHBondContact O-N 3.31Å
136G48Very low51.1Low60 Ų60128.2 Ų128.262%0.61979%0.788SS**  trans-78.5104.2166.800000109.9T134 Y138T134-G136 PolarHBondContact O-N 3.04Å; G136-Y138 PolarHBondContact O-N 3.05Å
137K56.2Low50.8Low187 Ų187130.9 Ų130.981%0.81380%0.801SS**  trans-60120.4169.8-72.9175.2168.3177.70110.5V135V135-K137 PolarHBondContact O-N 3.31Å
138Y49.5Very low50.4Low226 Ų226128.2 Ų128.289%0.88680%0.797SS**  trans-138.7132.7146.4-58.9-77000109.3G136G136-Y138 PolarHBondContact O-N 3.05Å
139S49Very low50.1Low111 Ų111130.7 Ų130.778%0.77681%0.807SS**  trans-69.8160.6-169.8420000114.8
140E47.1Very low49.5Very low174 Ų174133.1 Ų133.181%0.81382%0.817SS**  trans-4.4135.1157.2-65.5-174.6131.600118
141F42.6Very low48.9Very low218 Ų218130.7 Ų130.796%0.95681%0.813SS**  -159.6121.3118.4-108.1-78.1000108.9
142G46Very low48.7Very low66 Ų66136.9 Ų136.968%0.6884%0.836SS**  trans-83.4169.5-175.500000115.1
143S39.3Very low48.1Very low134 Ų134142.1 Ų142.194%0.93786%0.864SS**  trans159.5126.7133.8-74.70000108.7
144G38Very low47.7Very low155 Ų155143.5 Ų143.5100%1.59887%0.872SS**  trans1610179.400000109.8

Retrieved 144 of 144 residues in 223.1 ms (Link to these results)