A0A087X7N4_POEFO Loading...

Natriuretic peptide B

AlphaFold DB , UniProt , Accession A0A087X7N4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 145 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M53.2Low58Low204 Ų204116.6 Ų116.6100%1.00561%0.609SS**  076.50-6770.983.600109.3
2N55.8Low58.2Low133 Ų133116.7 Ų116.771%0.71161%0.609SS**  trans-105.2-23.9-155.2-58.225.2000114.1S4 I5 S6N2-S4 PolarHBondContact O-N 2.77Å; N2-I5 PolarHBondContact O-N 2.87Å; N2-S6 PolarHBondContact O-N 2.87Å
3G54.9Low59Low49 Ų49112.8 Ų112.851%0.50560%0.598SS.*Hα-helixtrans-59.8-47.5-175.600000114I5 S6 Q7G3-I5 VanDerWaalsContact C-N 3.26Å; G3-I5 PolarHBondContact O-N 2.64Å; G3-S6 PolarHBondContact O-N 3.21Å; G3-Q7 PolarHBondContact O-N 3.44Å
4S57.9Low59.8Low70 Ų70107.9 Ų107.949%0.4958%0.577SS.*Hα-helixtrans-66.9-23.6-178.3-47.60000114N2 R8N2-S4 PolarHBondContact O-N 2.77Å; S4-R8 WeakPolarHBondContact O-CB 3.47Å; S4-R8 WeakPolarHBondContact O-CD 3.37Å; S4-R8 WeakPolarHBondContact O-CG 3.44Å; S4-R8 PolarHBondContact O-N 3.02Å
5I57.8Low60.9Low102 Ų102108.4 Ų108.452%0.52358%0.578SS.*Hα-helixtrans-76.2-45.7174.6-59.1175.5000109.4N2 G3 Q7 R8 N9N2-I5 PolarHBondContact O-N 2.87Å; G3-I5 VanDerWaalsContact C-N 3.26Å; G3-I5 PolarHBondContact O-N 2.64Å; I5-Q7 PolarHBondContact O-N 3.49Å; I5-R8 PolarHBondContact O-N 3.19Å; I5-N9 PolarHBondContact O-N 2.79Å
6S59.1Low62.2Low70 Ų70106.1 Ų106.149%0.4957%0.571SS.*Hα-helixtrans-58.5-48.8175.5-170.60000111.8N2 G3 R8 N9 M10N2-S6 PolarHBondContact O-N 2.87Å; G3-S6 PolarHBondContact O-N 3.21Å; S6-R8 PolarHBondContact O-N 3.36Å; S6-N9 PolarHBondContact O-N 3.29Å; S6-M10 WeakPolarHBondContact O-CG 3.47Å; S6-M10 PolarHBondContact O-N 2.62Å
7Q58.7Low63.3Low118 Ų118105.8 Ų105.855%0.55157%0.569SS**Hα-helixtrans-58.6-45.6176.3-75.5-179.5-30.800112.4G3 I5 N9 M10 F11G3-Q7 PolarHBondContact O-N 3.44Å; I5-Q7 PolarHBondContact O-N 3.49Å; Q7-N9 VanDerWaalsContact C-N 3.33Å; Q7-N9 PolarHBondContact O-N 3.21Å; Q7-M10 PolarHBondContact O-N 3.28Å; Q7-F11 HydrophobicContact CB-CE2 4.3Å; Q7-F11 WeakPolarHBondContact O-CD2 3.31Å; Q7-F11 PolarHBondContact O-N 2.97Å
8R60Low64.1Low168 Ų168103.6 Ų103.663%0.63456%0.562SS**Hα-helixtrans-58.4-44.5176.1-77.3169.4-177.4176.40.2111.6S4 I5 S6 M10 F11 L12S4-R8 WeakPolarHBondContact O-CB 3.47Å; S4-R8 WeakPolarHBondContact O-CD 3.37Å; S4-R8 WeakPolarHBondContact O-CG 3.44Å; S4-R8 PolarHBondContact O-N 3.02Å; I5-R8 PolarHBondContact O-N 3.19Å; S6-R8 PolarHBondContact O-N 3.36Å; R8-M10 PolarHBondContact O-N 3.16Å; R8-F11 PolarHBondContact O-N 3.48Å; R8-L12 WeakPolarHBondContact O-CD1 3.48Å; R8-L12 PolarHBondContact O-N 3.44Å
9N60.2Low65Low103 Ų10399.6 Ų99.655%0.55155%0.548SS*.Hα-helixtrans-65-37177.9-71.61.9000112.7I5 S6 Q7 L12 S13I5-N9 PolarHBondContact O-N 2.79Å; S6-N9 PolarHBondContact O-N 3.29Å; Q7-N9 VanDerWaalsContact C-N 3.33Å; Q7-N9 PolarHBondContact O-N 3.21Å; N9-L12 PolarHBondContact O-N 3Å; N9-S13 WeakPolarHBondContact O-CB 3.43Å; N9-S13 PolarHBondContact O-N 2.98Å
10M61Low65.8Low133 Ų13399.2 Ų99.266%0.65554%0.544SS*.Hα-helixtrans-63.4-43.1172.9-67.3-175.778.300111.7S6 Q7 R8 S13 S14S6-M10 WeakPolarHBondContact O-CG 3.47Å; S6-M10 PolarHBondContact O-N 2.62Å; Q7-M10 PolarHBondContact O-N 3.28Å; R8-M10 PolarHBondContact O-N 3.16Å; M10-S13 PolarHBondContact O-N 3.01Å; M10-S14 PolarHBondContact O-N 3.35Å
11F59.7Low66.4Low133 Ų13399.3 Ų99.358%0.58354%0.544SS*.Hα-helixtrans-66.1-44.1175.8-69.3-58.7000112.4Q7 R8 S13 S14 I15Q7-F11 HydrophobicContact CB-CE2 4.3Å; Q7-F11 WeakPolarHBondContact O-CD2 3.31Å; Q7-F11 PolarHBondContact O-N 2.97Å; R8-F11 PolarHBondContact O-N 3.48Å; F11-S13 PolarHBondContact O-N 3.45Å; F11-S14 WeakPolarHBondContact CA-OG 3.49Å; F11-S14 PolarHBondContact O-N 2.96Å; F11-S14 VanDerWaalsContact O-N 3.11Å; F11-S14 PolarHBondContact O-OG 3.07Å; F11-I15 WeakPolarHBondContact O-CG1 3.44Å; F11-I15 PolarHBondContact O-N 2.91Å; F11-I15 VanDerWaalsContact O-N 3.07Å
12L60.6Low67.5Low117 Ų11795.4 Ų95.461%0.61353%0.526SS*.Hα-helixtrans-61.2-31.6175.2-91.885.1000112.8R8 N9 P16R8-L12 WeakPolarHBondContact O-CD1 3.48Å; R8-L12 PolarHBondContact O-N 3.44Å; N9-L12 PolarHBondContact O-N 3Å; L12-P16 WeakPolarHBondContact O-CD 3.25Å
13S67.6Low68.6Low67 Ų6794.4 Ų94.447%0.46952%0.52SS..Hα-helixtrans-75.5-36.8172.8-171.90000112.5N9 M10 F11 I15 P16 L17N9-S13 WeakPolarHBondContact O-CB 3.43Å; N9-S13 PolarHBondContact O-N 2.98Å; M10-S13 PolarHBondContact O-N 3.01Å; F11-S13 PolarHBondContact O-N 3.45Å; S13-I15 VanDerWaalsContact C-N 3.34Å; S13-I15 PolarHBondContact O-N 3.19Å; S13-P16 VanDerWaalsContact O-CD 3.29Å; S13-P16 WeakPolarHBondContact O-CD 3.38Å; S13-P16 WeakPolarHBondContact O-CG 3.45Å; S13-L17 WeakPolarHBondContact O-CG 3.32Å
14S70.3Confident69.4Low43 Ų4399.9 Ų99.930%0.30153%0.53SS..Hα-helixtrans-67.9-29.5177.6700000113.8M10 F11 L17 C18M10-S14 PolarHBondContact O-N 3.35Å; F11-S14 WeakPolarHBondContact CA-OG 3.49Å; F11-S14 PolarHBondContact O-N 2.96Å; F11-S14 VanDerWaalsContact O-N 3.11Å; F11-S14 PolarHBondContact O-OG 3.07Å; S14-L17 PolarHBondContact O-N 3.02Å; S14-C18 VanDerWaalsContact O-CB 3.3Å; S14-C18 WeakPolarHBondContact O-CB 3.47Å; S14-C18 PolarHBondContact O-N 3.49Å; S14-C18 PolarHBondContact O-SG 3.39Å
15I76.9Confident69.9Low116 Ų116102.5 Ų102.560%0.59554%0.538SS*.Hα-helixtrans-59.8-54.7-178.6-72.4162.3000112.6F11 S13 L17 C18 G19F11-I15 WeakPolarHBondContact O-CG1 3.44Å; F11-I15 PolarHBondContact O-N 2.91Å; F11-I15 VanDerWaalsContact O-N 3.07Å; S13-I15 VanDerWaalsContact C-N 3.34Å; S13-I15 PolarHBondContact O-N 3.19Å; I15-L17 VanDerWaalsContact C-N 3.34Å; I15-L17 PolarHBondContact O-N 3.28Å; I15-C18 PolarHBondContact O-N 3.25Å; I15-G19 PolarHBondContact O-N 2.94Å
16P81.4Confident70.2Confident72 Ų72103.5 Ų103.547%0.46854%0.544SS..Hα-helixtrans-67.4-32.6176.326.4-34.5000112.6L12 S13 G19 L20L12-P16 WeakPolarHBondContact O-CD 3.25Å; S13-P16 VanDerWaalsContact O-CD 3.29Å; S13-P16 WeakPolarHBondContact O-CD 3.38Å; S13-P16 WeakPolarHBondContact O-CG 3.45Å; P16-G19 PolarHBondContact O-N 3.38Å; P16-L20 WeakPolarHBondContact O-CB 3.47Å; P16-L20 VanDerWaalsContact O-CG 3.32Å; P16-L20 WeakPolarHBondContact O-CG 3.3Å; P16-L20 PolarHBondContact O-N 3.41Å
17L80.3Confident70.3Confident100 Ų100107.5 Ų107.552%0.52456%0.555SS.*Hα-helixtrans-65.2-43.7175.2-72.6170.3000112.1S13 S14 I15 L20 L21S13-L17 WeakPolarHBondContact O-CG 3.32Å; S14-L17 PolarHBondContact O-N 3.02Å; I15-L17 VanDerWaalsContact C-N 3.34Å; I15-L17 PolarHBondContact O-N 3.28Å; L17-L20 PolarHBondContact O-N 3.03Å; L17-L21 WeakPolarHBondContact O-CB 3.45Å; L17-L21 WeakPolarHBondContact O-CG 3.32Å; L17-L21 PolarHBondContact O-N 3.31Å
18C79.1Confident70.6Confident67 Ų67106.9 Ų106.945%0.45356%0.561SS.*Hα-helixtrans-66.4-37.3172.9-71.10000111.8S14 I15 L21 L22S14-C18 VanDerWaalsContact O-CB 3.3Å; S14-C18 WeakPolarHBondContact O-CB 3.47Å; S14-C18 PolarHBondContact O-N 3.49Å; S14-C18 PolarHBondContact O-SG 3.39Å; I15-C18 PolarHBondContact O-N 3.25Å; C18-L21 PolarHBondContact O-N 3.09Å; C18-L22 WeakPolarHBondContact O-CB 3.3Å; C18-L22 VanDerWaalsContact O-CG 3.28Å; C18-L22 WeakPolarHBondContact O-CG 3.35Å; C18-L22 PolarHBondContact O-N 3Å
19G81.3Confident70.5Confident28 Ų28103.6 Ų103.629%0.28956%0.564SS.*Hα-helixtrans-61.7-47.2173.500000112.5I15 P16 L22 I23I15-G19 PolarHBondContact O-N 2.94Å; P16-G19 PolarHBondContact O-N 3.38Å; G19-L22 PolarHBondContact O-N 2.66Å; G19-I23 WeakPolarHBondContact O-CG1 3.36Å; G19-I23 PolarHBondContact O-N 2.91Å
20L79.9Confident70.3Confident91 Ų91102.8 Ų102.848%0.47657%0.566SS.*Hα-helixtrans-63.6-43.5174.4-72.3169000111.7P16 L17 L22 I23 F24P16-L20 WeakPolarHBondContact O-CB 3.47Å; P16-L20 VanDerWaalsContact O-CG 3.32Å; P16-L20 WeakPolarHBondContact O-CG 3.3Å; P16-L20 PolarHBondContact O-N 3.41Å; L17-L20 PolarHBondContact O-N 3.03Å; L20-L22 VanDerWaalsContact C-N 3.31Å; L20-L22 PolarHBondContact O-N 3.39Å; L20-I23 CarbonylContact O-C 3.6Å; L20-I23 PolarHBondContact O-N 3.11Å; L20-I23 VanDerWaalsContact O-N 3.09Å; L20-F24 WeakPolarHBondContact O-CD2 3.27Å; L20-F24 PolarHBondContact O-N 2.9Å
21L78.7Confident69.8Low102 Ų102101.7 Ų101.753%0.53457%0.567SS.*Hα-helixtrans-59-41.2174.2-81.8165.2000111.8L17 C18 I23 F24 N25L17-L21 WeakPolarHBondContact O-CB 3.45Å; L17-L21 WeakPolarHBondContact O-CG 3.32Å; L17-L21 PolarHBondContact O-N 3.31Å; C18-L21 PolarHBondContact O-N 3.09Å; L21-I23 VanDerWaalsContact C-N 3.34Å; L21-F24 PolarHBondContact O-N 3.45Å; L21-N25 VanDerWaalsContact O-CB 3.3Å; L21-N25 WeakPolarHBondContact O-CB 3.38Å; L21-N25 PolarHBondContact O-N 2.88Å; L21-N25 PolarHBondContact O-ND2 3.37Å
22L77.3Confident69.5Low122 Ų122104.4 Ų104.464%0.63958%0.575SS**Hα-helixtrans-64.6-37174.1-73.5166.6000112C18 G19 L20 L26C18-L22 WeakPolarHBondContact O-CB 3.3Å; C18-L22 VanDerWaalsContact O-CG 3.28Å; C18-L22 WeakPolarHBondContact O-CG 3.35Å; C18-L22 PolarHBondContact O-N 3Å; G19-L22 PolarHBondContact O-N 2.66Å; L20-L22 VanDerWaalsContact C-N 3.31Å; L20-L22 PolarHBondContact O-N 3.39Å; L22-L26 VanDerWaalsContact O-CB 3.28Å; L22-L26 WeakPolarHBondContact O-CB 3.23Å; L22-L26 WeakPolarHBondContact O-CD1 3.38Å; L22-L26 WeakPolarHBondContact O-CG 3.46Å; L22-L26 PolarHBondContact O-N 2.99Å
23I78.7Confident69.3Low112 Ų112102.6 Ų102.657%0.57457%0.57SS**Hα-helixtrans-69.7-34175.6-66.9162.3000112.1G19 L20 L21G19-I23 WeakPolarHBondContact O-CG1 3.36Å; G19-I23 PolarHBondContact O-N 2.91Å; L20-I23 CarbonylContact O-C 3.6Å; L20-I23 PolarHBondContact O-N 3.11Å; L20-I23 VanDerWaalsContact O-N 3.09Å; L21-I23 VanDerWaalsContact C-N 3.34Å
24F71.3Confident68.7Low164 Ų164105.6 Ų105.672%0.71959%0.585SS**Hα-helixtrans-82.6-26176-76.6-66.4000114.1L20 L21L20-F24 WeakPolarHBondContact O-CD2 3.27Å; L20-F24 PolarHBondContact O-N 2.9Å; L21-F24 PolarHBondContact O-N 3.45Å
25N68.2Low68Low125 Ų125106.7 Ų106.767%0.66859%0.593SS**Hα-helixtrans-92.2-10.4174.4-71.8-98.4000112.5L21 E27L21-N25 VanDerWaalsContact O-CB 3.3Å; L21-N25 WeakPolarHBondContact O-CB 3.38Å; L21-N25 PolarHBondContact O-N 2.88Å; L21-N25 PolarHBondContact O-ND2 3.37Å; N25-E27 PolarHBondContact O-N 3.41Å
26L64.8Low67.1Low122 Ų122107.4 Ų107.464%0.63960%0.603SS**SBendtrans-66.181.8149.6-81.2163.5000107.6L22L22-L26 VanDerWaalsContact O-CB 3.28Å; L22-L26 WeakPolarHBondContact O-CB 3.23Å; L22-L26 WeakPolarHBondContact O-CD1 3.38Å; L22-L26 WeakPolarHBondContact O-CG 3.46Å; L22-L26 PolarHBondContact O-N 2.99Å
27E61.1Low66.2Low155 Ų155107.3 Ų107.372%0.72462%0.615SS**  trans-41.5131.4162.7-178.6178-168.200108.7N25 S29N25-E27 PolarHBondContact O-N 3.41Å; E27-S29 PolarHBondContact O-N 2.69Å; E27-S29 PolarHBondContact O-OG 2.88Å
28P64.1Low65.5Low105 Ų105108.3 Ų108.368%0.68262%0.616SS**  trans-70.268.6-174.728.9-35.8000111.3S30 T31P28-S30 PolarHBondContact O-N 3.18Å; P28-S30 VanDerWaalsContact O-N 3.1Å; P28-T31 PolarHBondContact O-N 3.44Å; P28-T31 VanDerWaalsContact O-N 3.14Å
29S57.4Low65.5Low99 Ų99108.6 Ų108.669%0.69262%0.615SS**THydrogen-bonded Turntrans-67.8105.3-175.229.60000107.6E27E27-S29 PolarHBondContact O-N 2.69Å; E27-S29 PolarHBondContact O-OG 2.88Å
30S57.4Low65.5Low85 Ų85113.5 Ų113.559%0.59464%0.635SS**THydrogen-bonded Turntrans6659.8-168.8171.60000114.1P28 Y32P28-S30 PolarHBondContact O-N 3.18Å; P28-S30 VanDerWaalsContact O-N 3.1Å; S30-Y32 VanDerWaalsContact C-N 3.34Å; S30-Y32 WeakPolarHBondContact OG-CD2 3.41Å; S30-Y32 WeakPolarHBondContact OG-CE2 3.48Å
31T51Low65.7Low110 Ų110113.6 Ų113.668%0.67564%0.639SS**  -73.1101.4116.4-55.10000106.8P28 P33P28-T31 PolarHBondContact O-N 3.44Å; P28-T31 VanDerWaalsContact O-N 3.14Å; T31-P33 VanDerWaalsContact O-CD 3.23Å; T31-P33 WeakPolarHBondContact O-CD 3.23Å
32Y51.5Low66.1Low190 Ų190111.6 Ų111.675%0.74563%0.629SS**  trans-62.4120.3164.8-82.9-86.1000107.1S30 V34S30-Y32 VanDerWaalsContact C-N 3.34Å; S30-Y32 WeakPolarHBondContact OG-CD2 3.41Å; S30-Y32 WeakPolarHBondContact OG-CE2 3.48Å; Y32-V34 PolarHBondContact O-N 3.05Å; Y32-V34 VanDerWaalsContact O-N 3.1Å
33P57.6Low66.5Low80 Ų80109.3 Ų109.352%0.51962%0.616SS.*  trans-60.9117.7161.227-32000106.6T31 S35 T36T31-P33 VanDerWaalsContact O-CD 3.23Å; T31-P33 WeakPolarHBondContact O-CD 3.23Å; P33-S35 PolarHBondContact O-N 3.08Å; P33-T36 HydrophobicContact CB-CG2 4.15Å; P33-T36 HydrophobicContact CG-CG2 3.69Å
34V55.5Low67.1Low129 Ų129107.5 Ų107.578%0.78261%0.608SS**SBendtrans-58.1-22.4177.4176.50000111Y32 F38Y32-V34 PolarHBondContact O-N 3.05Å; Y32-V34 VanDerWaalsContact O-N 3.1Å; V34-F38 HydrophobicContact CG1-CE2 4.43Å; V34-F38 WeakPolarHBondContact O-CE2 3.31Å
35S55.3Low68Low66 Ų66104.3 Ų104.346%0.46260%0.597SS.*  trans-12890.6-171.2-500000112.4P33 F38P33-S35 PolarHBondContact O-N 3.08Å; S35-F38 WeakPolarHBondContact OG-CD2 3.29Å
36T57.2Low69.1Low131 Ų131102.4 Ų102.480%0.80459%0.587SS**SBendtrans-121.4-1.2158.853.80000113.2P33P33-T36 HydrophobicContact CB-CG2 4.15Å; P33-T36 HydrophobicContact CG-CG2 3.69Å
37G62.9Low70.3Confident70 Ų70101.7 Ų101.772%0.72258%0.578SS**SBendtrans-1327.2-178.200000115.2
38F64.9Low71.9Confident122 Ų12298.4 Ų98.454%0.53557%0.568SS.*  trans-84.4131.2171.8-69.7-62.6000110.3V34 S35 D42V34-F38 HydrophobicContact CG1-CE2 4.43Å; V34-F38 WeakPolarHBondContact O-CE2 3.31Å; S35-F38 WeakPolarHBondContact OG-CD2 3.29Å; F38-D42 HydrophobicContact CB-CB 4.14Å; F38-D42 HydrophobicContact CD1-CB 3.72Å; F38-D42 HydrophobicContact CG-CB 4.36Å
39T79.3Confident73.3Confident73 Ų7398.1 Ų98.145%0.44856%0.561SS.*  trans-79.7164.7170.264.80000110.8T41 D42 M43T39-T41 PolarHBondContact O-N 3.06Å; T39-T41 PolarHBondContact OG1-OG1 2.97Å; T39-D42 WeakPolarHBondContact CB-OD2 3.36Å; T39-D42 PolarHBondContact N-OD2 3.47Å; T39-D42 WeakPolarHBondContact O-CB 3.42Å; T39-D42 PolarHBondContact O-N 2.8Å; T39-D42 PolarHBondContact OG1-N 3.28Å; T39-D42 PolarHBondContact OG1-OD2 3.35Å; T39-M43 PolarHBondContact O-N 2.77Å; T39-M43 VanDerWaalsContact O-N 3.16Å
40D81.4Confident75Confident130 Ų13098.2 Ų98.270%0.69555%0.553SS**Hα-helixtrans-56.6-38.4175-158.437.1000111.3D42 M43 D44D40-D42 PolarHBondContact O-N 3.08Å; D40-M43 WeakPolarHBondContact O-CB 3.09Å; D40-M43 PolarHBondContact O-N 2.85Å; D40-D44 PolarHBondContact O-N 2.99Å
41T84.8Confident76.8Confident93 Ų9399.3 Ų99.357%0.57155%0.549SS*.Hα-helixtrans-63.4-34.8173.1350000114.2T39 M43 D44 I45T39-T41 PolarHBondContact O-N 3.06Å; T39-T41 PolarHBondContact OG1-OG1 2.97Å; T41-M43 VanDerWaalsContact C-N 3.32Å; T41-D44 PolarHBondContact O-N 3.1Å; T41-I45 WeakPolarHBondContact O-CD1 3Å; T41-I45 VanDerWaalsContact O-CG1 3.25Å; T41-I45 WeakPolarHBondContact O-CG1 3.09Å; T41-I45 PolarHBondContact O-N 2.73Å
42D85.7Confident78.7Confident61 Ų61100 Ų10033%0.32654%0.542SS..Hα-helixtrans-69.9-34.8175.1-58.2-54.3000111.2F38 T39 D40 I45 L46F38-D42 HydrophobicContact CB-CB 4.14Å; F38-D42 HydrophobicContact CD1-CB 3.72Å; F38-D42 HydrophobicContact CG-CB 4.36Å; T39-D42 WeakPolarHBondContact CB-OD2 3.36Å; T39-D42 PolarHBondContact N-OD2 3.47Å; T39-D42 WeakPolarHBondContact O-CB 3.42Å; T39-D42 PolarHBondContact O-N 2.8Å; T39-D42 PolarHBondContact OG1-N 3.28Å; T39-D42 PolarHBondContact OG1-OD2 3.35Å; D40-D42 PolarHBondContact O-N 3.08Å; D42-I45 PolarHBondContact O-N 3.1Å; D42-L46 WeakPolarHBondContact O-CB 3.21Å; D42-L46 PolarHBondContact O-N 3.13Å
43M87.6Confident80.5Confident73 Ų7396.1 Ų96.136%0.3653%0.534SS..Hα-helixtrans-67.6-38.2175.3-171.857.960.800111.5T39 D40 T41 L46 K47T39-M43 PolarHBondContact O-N 2.77Å; T39-M43 VanDerWaalsContact O-N 3.16Å; D40-M43 WeakPolarHBondContact O-CB 3.09Å; D40-M43 PolarHBondContact O-N 2.85Å; T41-M43 VanDerWaalsContact C-N 3.32Å; M43-L46 PolarHBondContact O-N 3.48Å; M43-L46 HydrophobicContact SD-CD2 4.45Å; M43-K47 WeakPolarHBondContact O-CG 3.32Å; M43-K47 PolarHBondContact O-N 3.03Å
44D90.1Very high82.1Confident74 Ų7499.4 Ų99.440%0.39654%0.542SS..Hα-helixtrans-68.4-40.6173.2-78.9-16.5000112.9D40 T41 L46 K47 V48D40-D44 PolarHBondContact O-N 2.99Å; T41-D44 PolarHBondContact O-N 3.1Å; D44-L46 VanDerWaalsContact C-N 3.28Å; D44-L46 PolarHBondContact O-N 2.82Å; D44-K47 PolarHBondContact O-N 2.84Å; D44-K47 IonicContact OD1-NZ 2.64Å; D44-K47 PolarHBondContact OD1-NZ 2.87Å; D44-V48 WeakPolarHBondContact O-CG2 3.48Å; D44-V48 PolarHBondContact O-N 2.8Å
45I90.6Very high83.6Confident98 Ų9897.4 Ų97.450%0.50352%0.524SS..Hα-helixtrans-58.8-43171.9-69.9163.1000110.2T41 D42 V48 L49T41-I45 WeakPolarHBondContact O-CD1 3Å; T41-I45 VanDerWaalsContact O-CG1 3.25Å; T41-I45 WeakPolarHBondContact O-CG1 3.09Å; T41-I45 PolarHBondContact O-N 2.73Å; D42-I45 PolarHBondContact O-N 3.1Å; I45-V48 PolarHBondContact O-N 3.39Å; I45-L49 HydrophobicContact CG2-CD1 3.92Å; I45-L49 HydrophobicContact CG2-CG 4.41Å; I45-L49 VanDerWaalsContact O-CG 3.32Å; I45-L49 WeakPolarHBondContact O-CG 3.43Å; I45-L49 PolarHBondContact O-N 3.45Å
46L90.1Very high84.9Confident85 Ų8597.1 Ų97.145%0.44552%0.522SS..Hα-helixtrans-63.7-40.5177.1-177.460.7000112.7D42 M43 D44 L49 L50D42-L46 WeakPolarHBondContact O-CB 3.21Å; D42-L46 PolarHBondContact O-N 3.13Å; M43-L46 PolarHBondContact O-N 3.48Å; M43-L46 HydrophobicContact SD-CD2 4.45Å; D44-L46 VanDerWaalsContact C-N 3.28Å; D44-L46 PolarHBondContact O-N 2.82Å; L46-L49 PolarHBondContact O-N 3.46Å; L46-L50 HydrophobicContact CD1-CD1 4.32Å; L46-L50 HydrophobicContact CD1-CG 4.34Å; L46-L50 HydrophobicContact CG-CD1 4.13Å; L46-L50 WeakPolarHBondContact O-CB 3.39Å; L46-L50 WeakPolarHBondContact O-CG 3.09Å; L46-L50 PolarHBondContact O-N 3.11Å
47K90.8Very high85.9Confident107 Ų10795 Ų9547%0.46551%0.509SS..Hα-helixtrans-58.8-47.9173.9-68.9165.5-159.1158.90111.4M43 D44 L49 L50 Q51M43-K47 WeakPolarHBondContact O-CG 3.32Å; M43-K47 PolarHBondContact O-N 3.03Å; D44-K47 PolarHBondContact O-N 2.84Å; D44-K47 IonicContact OD1-NZ 2.64Å; D44-K47 PolarHBondContact OD1-NZ 2.87Å; K47-L49 PolarHBondContact O-N 3.42Å; K47-L50 PolarHBondContact O-N 3.38Å; K47-Q51 PolarHBondContact O-N 3.47Å
48V94.9Very high86.3Confident85 Ų8595.5 Ų95.552%0.51550%0.501SS..Hα-helixtrans-64.6-40179.7174.70000111.3D44 I45 K52D44-V48 WeakPolarHBondContact O-CG2 3.48Å; D44-V48 PolarHBondContact O-N 2.8Å; I45-V48 PolarHBondContact O-N 3.39Å; V48-K52 WeakPolarHBondContact O-CB 3.36Å; V48-K52 WeakPolarHBondContact O-CG 3.28Å; V48-K52 PolarHBondContact O-N 2.8Å
49L93.4Very high86.1Confident99 Ų9996.5 Ų96.552%0.51851%0.508SS..Hα-helixtrans-64.7-40.5175.3-71.4172000112.3I45 L46 K47 L53I45-L49 HydrophobicContact CG2-CD1 3.92Å; I45-L49 HydrophobicContact CG2-CG 4.41Å; I45-L49 VanDerWaalsContact O-CG 3.32Å; I45-L49 WeakPolarHBondContact O-CG 3.43Å; I45-L49 PolarHBondContact O-N 3.45Å; L46-L49 PolarHBondContact O-N 3.46Å; K47-L49 PolarHBondContact O-N 3.42Å; L49-L53 VanDerWaalsContact O-CG 3.3Å; L49-L53 WeakPolarHBondContact O-CG 3.3Å; L49-L53 PolarHBondContact O-N 3.1Å; L49-L53 VanDerWaalsContact O-N 3.11Å
50L93.9Very high85Confident102 Ų102100.3 Ų100.353%0.53452%0.52SS..Hα-helixtrans-66.1-47.3176.1-75169.4000112L46 K47 K52 L53 E54L46-L50 HydrophobicContact CD1-CD1 4.32Å; L46-L50 HydrophobicContact CD1-CG 4.34Å; L46-L50 HydrophobicContact CG-CD1 4.13Å; L46-L50 WeakPolarHBondContact O-CB 3.39Å; L46-L50 WeakPolarHBondContact O-CG 3.09Å; L46-L50 PolarHBondContact O-N 3.11Å; K47-L50 PolarHBondContact O-N 3.38Å; L50-K52 VanDerWaalsContact C-N 3.32Å; L50-K52 PolarHBondContact O-N 2.83Å; L50-L53 PolarHBondContact O-N 3.09Å; L50-L53 VanDerWaalsContact O-N 3.09Å; L50-E54 PolarHBondContact O-N 2.64Å
51Q93.5Very high83.6Confident108 Ų10898 Ų9851%0.50551%0.511SS..Hα-helixtrans-57.1-46.4176.4-177.5-174.5-24.400111.1K47 L53 E54 E55K47-Q51 PolarHBondContact O-N 3.47Å; Q51-L53 VanDerWaalsContact C-N 3.26Å; Q51-L53 PolarHBondContact O-N 3.4Å; Q51-E54 WeakPolarHBondContact O-CB 3.45Å; Q51-E54 PolarHBondContact O-N 3.14Å; Q51-E55 HydrophobicContact CG-CG 4.46Å; Q51-E55 WeakPolarHBondContact CG-OE1 3.3Å; Q51-E55 PolarHBondContact NE2-OE1 2.92Å; Q51-E55 WeakPolarHBondContact O-CB 3.32Å; Q51-E55 VanDerWaalsContact O-CG 3.31Å; Q51-E55 WeakPolarHBondContact O-CG 3.28Å; Q51-E55 PolarHBondContact O-N 2.92Å
52K91.6Very high82.1Confident125 Ų12597 Ų9754%0.54351%0.512SS..Hα-helixtrans-65.1-27.7178.1-74.2-16071.8178.10113.8V48 L50 S56V48-K52 WeakPolarHBondContact O-CB 3.36Å; V48-K52 WeakPolarHBondContact O-CG 3.28Å; V48-K52 PolarHBondContact O-N 2.8Å; L50-K52 VanDerWaalsContact C-N 3.32Å; L50-K52 PolarHBondContact O-N 2.83Å; K52-S56 VanDerWaalsContact O-CB 3.32Å; K52-S56 WeakPolarHBondContact O-CB 3.22Å; K52-S56 PolarHBondContact O-N 2.87Å; K52-S56 PolarHBondContact O-OG 3.34Å
53L90.4Very high80.6Confident107 Ų107100 Ų10056%0.5653%0.533SS*.Hα-helixtrans-76.6-38.7173.5-74.2168.4000111.6L49 L50 Q51 S56 V57L49-L53 VanDerWaalsContact O-CG 3.3Å; L49-L53 WeakPolarHBondContact O-CG 3.3Å; L49-L53 PolarHBondContact O-N 3.1Å; L49-L53 VanDerWaalsContact O-N 3.11Å; L50-L53 PolarHBondContact O-N 3.09Å; L50-L53 VanDerWaalsContact O-N 3.09Å; Q51-L53 VanDerWaalsContact C-N 3.26Å; Q51-L53 PolarHBondContact O-N 3.4Å; L53-S56 PolarHBondContact O-N 3.14Å; L53-V57 WeakPolarHBondContact O-CB 3.37Å; L53-V57 VanDerWaalsContact O-CG2 3.27Å; L53-V57 WeakPolarHBondContact O-CG2 3.37Å; L53-V57 PolarHBondContact O-N 2.95Å
54E91.2Very high78.6Confident150 Ų150103.2 Ų103.270%0.70155%0.551SS**Hα-helixtrans-61.1-46.4172.2-175.7173.1-170.700111.1L50 Q51 V57 S58L50-E54 PolarHBondContact O-N 2.64Å; Q51-E54 WeakPolarHBondContact O-CB 3.45Å; Q51-E54 PolarHBondContact O-N 3.14Å; E54-V57 PolarHBondContact O-N 3.24Å; E54-S58 VanDerWaalsContact O-CB 3.3Å; E54-S58 WeakPolarHBondContact O-CB 3.45Å; E54-S58 PolarHBondContact O-N 3.47Å
55E85.2Confident76.4Confident87 Ų87107.8 Ų107.841%0.40757%0.57SS.*Hα-helixtrans-57.6-51.7171.7-71.1165.9175.600111.1Q51 V57 S58 E59Q51-E55 HydrophobicContact CG-CG 4.46Å; Q51-E55 WeakPolarHBondContact CG-OE1 3.3Å; Q51-E55 PolarHBondContact NE2-OE1 2.92Å; Q51-E55 WeakPolarHBondContact O-CB 3.32Å; Q51-E55 VanDerWaalsContact O-CG 3.31Å; Q51-E55 WeakPolarHBondContact O-CG 3.28Å; Q51-E55 PolarHBondContact O-N 2.92Å; E55-V57 VanDerWaalsContact C-N 3.35Å; E55-V57 PolarHBondContact O-N 2.92Å; E55-S58 PolarHBondContact O-N 2.83Å; E55-E59 WeakPolarHBondContact O-CG 3.39Å; E55-E59 PolarHBondContact O-N 3.46Å
56S83.4Confident74.2Confident60 Ų60106.2 Ų106.242%0.4258%0.578SS.*Hα-helixtrans-62-38.2-179.2-590000113.2K52 L53 Q60K52-S56 VanDerWaalsContact O-CB 3.32Å; K52-S56 WeakPolarHBondContact O-CB 3.22Å; K52-S56 PolarHBondContact O-N 2.87Å; K52-S56 PolarHBondContact O-OG 3.34Å; L53-S56 PolarHBondContact O-N 3.14Å; S56-Q60 VanDerWaalsContact O-CB 3.23Å; S56-Q60 WeakPolarHBondContact O-CB 3.45Å; S56-Q60 PolarHBondContact O-N 2.56Å
57V78Confident72.2Confident87 Ų87107.9 Ų107.953%0.52759%0.592SS.*Hα-helixtrans-74.1-35.8177.8170.90000110.8L53 E54 E55 Q60 T61L53-V57 WeakPolarHBondContact O-CB 3.37Å; L53-V57 VanDerWaalsContact O-CG2 3.27Å; L53-V57 WeakPolarHBondContact O-CG2 3.37Å; L53-V57 PolarHBondContact O-N 2.95Å; E54-V57 PolarHBondContact O-N 3.24Å; E55-V57 VanDerWaalsContact C-N 3.35Å; E55-V57 PolarHBondContact O-N 2.92Å; V57-Q60 PolarHBondContact O-N 3.22Å; V57-T61 WeakPolarHBondContact O-CB 3.29Å; V57-T61 PolarHBondContact O-N 3.47Å; V57-T61 PolarHBondContact O-OG1 3.43Å
58S71.4Confident69.6Low79 Ų79109 Ų10955%0.55261%0.607SS**Hα-helixtrans-65.7-46173.9-173.60000111.7E54 E55 Q60 T61 A62E54-S58 VanDerWaalsContact O-CB 3.3Å; E54-S58 WeakPolarHBondContact O-CB 3.45Å; E54-S58 PolarHBondContact O-N 3.47Å; E55-S58 PolarHBondContact O-N 2.83Å; S58-Q60 VanDerWaalsContact C-N 3.33Å; S58-Q60 PolarHBondContact O-N 2.93Å; S58-T61 PolarHBondContact O-N 3.43Å; S58-A62 PolarHBondContact O-N 3.18Å
59E59.9Low67Low143 Ų143114.2 Ų114.267%0.66863%0.626SS**Hα-helixtrans-60.1-41173.2-72.6-176156.800111.8E55 A62 V63E55-E59 WeakPolarHBondContact O-CG 3.39Å; E55-E59 PolarHBondContact O-N 3.46Å; E59-A62 PolarHBondContact O-N 2.92Å; E59-V63 WeakPolarHBondContact O-CG2 3.04Å; E59-V63 PolarHBondContact O-N 3.09Å
60Q56.5Low64.5Low153 Ų153118.3 Ų118.372%0.71564%0.643SS**Hα-helixtrans-68.3-32.9176.5-173.3142.577.700112.9S56 V57 S58 V63S56-Q60 VanDerWaalsContact O-CB 3.23Å; S56-Q60 WeakPolarHBondContact O-CB 3.45Å; S56-Q60 PolarHBondContact O-N 2.56Å; V57-Q60 PolarHBondContact O-N 3.22Å; S58-Q60 VanDerWaalsContact C-N 3.33Å; S58-Q60 PolarHBondContact O-N 2.93Å; Q60-V63 PolarHBondContact O-N 2.83Å
61T53.1Low61.5Low81 Ų81120.9 Ų120.950%0.49766%0.657SS.*Hα-helixtrans-68.4-42.9174.9-52.10000111.2V57 S58 V63 D64 E65V57-T61 WeakPolarHBondContact O-CB 3.29Å; V57-T61 PolarHBondContact O-N 3.47Å; V57-T61 PolarHBondContact O-OG1 3.43Å; S58-T61 PolarHBondContact O-N 3.43Å; T61-V63 PolarHBondContact O-N 3.3Å; T61-V63 VanDerWaalsContact O-N 3.08Å; T61-D64 PolarHBondContact O-N 2.88Å; T61-E65 PolarHBondContact O-N 2.99Å
62A53.1Low58.7Low73 Ų73118 Ų11860%0.60366%0.657SS**Hα-helixtrans-67-6.817900000114.8S58 E59S58-A62 PolarHBondContact O-N 3.18Å; E59-A62 PolarHBondContact O-N 2.92Å
63V53.8Low56.1Low124 Ų124123.5 Ų123.575%0.75267%0.674SS**Hα-helixtrans-99.1-21.9173.4174.50000112.1E59 Q60 T61E59-V63 WeakPolarHBondContact O-CG2 3.04Å; E59-V63 PolarHBondContact O-N 3.09Å; Q60-V63 PolarHBondContact O-N 2.83Å; T61-V63 PolarHBondContact O-N 3.3Å; T61-V63 VanDerWaalsContact O-N 3.08Å
64D46.8Very low53.6Low140 Ų140122.6 Ų122.675%0.74968%0.682SS**Hα-helixtrans-85.5-27.4175.6-155.145.1000111.8T61 G66T61-D64 PolarHBondContact O-N 2.88Å; D64-G66 PolarHBondContact O-N 2.87Å
65E43.3Very low50.9Low171 Ų171122 Ų12280%0.79968%0.684SS**THydrogen-bonded Turntrans-70.633.5173.3-154.2177.8171.100113.6T61T61-E65 PolarHBondContact O-N 2.99Å
66G44.1Very low48.4Very low64 Ų64128.9 Ų128.966%0.6671%0.706SS**THydrogen-bonded Turntrans-110-4.8178.700000115.1D64D64-G66 PolarHBondContact O-N 2.87Å
67V47.1Very low46.4Very low121 Ų121133.7 Ų133.773%0.73372%0.723SS**SBendtrans-137.1119.6-172.8-169.40000113.4
68T36.3Very low44.3Very low129 Ų129136.6 Ų136.679%0.79174%0.736SS**  trans67.495.2163.446.80000121
69E41.8Very low42.7Very low196 Ų196139.8 Ų139.892%0.91674%0.744SS**  trans-125.5153.2131.4-61.6-169.1147.700107.8
70E39.8Very low41.8Very low185 Ų185140.7 Ų140.786%0.86475%0.748SS**  cis-98.9-163.4-20.4-48174.990.800108.4
71D32.1Very low40.8Very low155 Ų155139.9 Ų139.983%0.82975%0.749SS**  cis-153.8-162-6.6176.428.1000105.4
72G34.6Very low39.9Very low49 Ų49141.6 Ų141.651%0.50576%0.759SS.*  124.614.511400000118.1
73R36.8Very low39.2Very low240 Ų240142.7 Ų142.791%0.90676%0.763SS**  trans51.7103.1156.6-175.9-178.6171.9165.8-1.8117.4
74A37.2Very low38.5Very low88 Ų88142 Ų14273%0.72776%0.763SS**  trans79.6108.4145.100000120.6
75N34.5Very low38Very low138 Ų138143 Ų14374%0.73876%0.763SS**  62.5104.2127.8-176.931.5000118.9
76R33.7Very low37.7Very low231 Ų231144.8 Ų144.887%0.87276%0.763SS**  -168.5163.7113.6-100154.874.9-177.84.6113.6
77M41.1Very low37.2Very low160 Ų160150.2 Ų150.279%0.78877%0.771SS**  trans-80.3164.9-178.1-59.9165.1-7400113
78N34.3Very low36.9Very low149 Ų149150.3 Ų150.380%0.79777%0.774SS**  trans113.2152.6163.7-63.84.8000114.1
79M36.7Very low37.1Very low145 Ų145152.3 Ų152.371%0.71478%0.775SS**  cis-176.8136.2-25.8177.3155.5153.900107.3
80E41.5Very low37.3Very low162 Ų162149.5 Ų149.576%0.75777%0.771SS**  trans60.7124166.4-74.7172.4127.200121.5
81D34.6Very low37.8Very low136 Ų136146.9 Ų146.973%0.72776%0.763SS**  60.9113.1128.5-157.532.6000121.5
82T34.2Very low39.1Very low117 Ų117146.2 Ų146.272%0.71876%0.758SS**  -175.8135103.425.40000114.7
83S38.3Very low40.7Very low97 Ų97147.7 Ų147.768%0.67876%0.755SS**  trans52.3108151.361.90000122.7
84S39.6Very low42.2Very low109 Ų109142.7 Ų142.776%0.76274%0.742SS**  88131121.3-58.70000122.8
85E36Very low43.8Very low160 Ų160146 Ų14675%0.74874%0.742SS**  trans68.3129.1158.5-69.5-163.290.200118.7
86R36.7Very low45.5Very low210 Ų210144.2 Ų144.279%0.79273%0.73SS**  cis-162.1112.2-5.2-167174-169135.2-6.4110.7
87Q35.4Very low47.3Very low177 Ų177137.5 Ų137.583%0.82771%0.71SS**  trans-72.8143.5175.4-74.4-179.5-77.700112.1Q89Q87-Q89 PolarHBondContact O-N 2.85Å
88P39.2Very low48.9Very low123 Ų123137.8 Ų137.880%0.79970%0.702SS**  trans-73.2113.7164.830.2-31.5000109.5T90P88-T90 PolarHBondContact O-N 3.47Å
89Q41.4Very low50.8Low172 Ų172135.1 Ų135.180%0.80469%0.685SS**  trans-77.5108.6178.7-64.7174.4-94.100110.2Q87 D91Q87-Q89 PolarHBondContact O-N 2.85Å; Q89-D91 PolarHBondContact O-N 2.8Å
90T46.3Very low52.4Low136 Ų136135 Ų13583%0.83468%0.68SS**  trans-75.779.1161.651.80000108.7P88 L92P88-T90 PolarHBondContact O-N 3.47Å; T90-L92 VanDerWaalsContact C-N 3.25Å; T90-L92 PolarHBondContact O-N 3.44Å
91D48.9Very low53.8Low131 Ų131133 Ų13370%0.70168%0.675SS**  trans-7474.3-173.8-161.340.6000111.7Q89Q89-D91 PolarHBondContact O-N 2.8Å
92L59.6Low55.7Low140 Ų140128.7 Ų128.773%0.73366%0.655SS**  trans-123.397.6166.7-69.6177.9000107T90 E94T90-L92 VanDerWaalsContact C-N 3.25Å; T90-L92 PolarHBondContact O-N 3.44Å; L92-E94 PolarHBondContact O-N 2.92Å; L92-E94 VanDerWaalsContact O-N 3.13Å
93D68.5Low57.1Low80 Ų80126.7 Ų126.743%0.42865%0.651SS.*  trans-35.9114.5-175-68.4-48.8000113E95 Q96 I97D93-E95 PolarHBondContact O-N 3.28Å; D93-E95 VanDerWaalsContact O-N 3.08Å; D93-Q96 HydrophobicContact CB-CB 3.9Å; D93-Q96 HydrophobicContact CB-CG 3.72Å; D93-Q96 PolarHBondContact O-N 3.35Å; D93-Q96 PolarHBondContact OD2-NE2 3.11Å; D93-I97 PolarHBondContact O-N 3.33Å; D93-I97 VanDerWaalsContact O-N 3.1Å
94E69.3Low58.4Low135 Ų135127.9 Ų127.963%0.63164%0.643SS**Hα-helixtrans-53.7-31.3168.9-84.5-148.5169.900111.1L92 I97 R98L92-E94 PolarHBondContact O-N 2.92Å; L92-E94 VanDerWaalsContact O-N 3.13Å; E94-I97 PolarHBondContact O-N 3.44Å; E94-R98 WeakPolarHBondContact O-CB 3.26Å; E94-R98 PolarHBondContact O-N 3.47Å; E94-R98 IonicContact OE2-NH2 2.8Å; E94-R98 PolarHBondContact OE2-NH2 3.35Å
95E69.3Low59.7Low158 Ų158126.3 Ų126.374%0.73863%0.627SS**Hα-helixtrans-65-41.5177.1-55.2-160.4157.300112D93 R98 E99D93-E95 PolarHBondContact O-N 3.28Å; D93-E95 VanDerWaalsContact O-N 3.08Å; E95-R98 PolarHBondContact O-N 3.49Å; E95-E99 VanDerWaalsContact O-CB 3.29Å; E95-E99 WeakPolarHBondContact O-CB 3.41Å; E95-E99 PolarHBondContact O-N 3.22Å
96Q70.2Confident60.9Low101 Ų101122.3 Ų122.347%0.47261%0.61SS.*Hα-helixtrans-64.8-46172.9-72.6-172.545.200111.3D93 R98 E99 F100D93-Q96 HydrophobicContact CB-CB 3.9Å; D93-Q96 HydrophobicContact CB-CG 3.72Å; D93-Q96 PolarHBondContact O-N 3.35Å; D93-Q96 PolarHBondContact OD2-NE2 3.11Å; Q96-R98 VanDerWaalsContact C-N 3.3Å; Q96-R98 PolarHBondContact O-N 2.91Å; Q96-E99 PolarHBondContact O-N 2.72Å; Q96-E99 VanDerWaalsContact O-N 3.11Å; Q96-F100 VanDerWaalsContact O-CD2 3.31Å; Q96-F100 WeakPolarHBondContact O-CD2 3.4Å; Q96-F100 PolarHBondContact O-N 3.21Å
97I72Confident62.2Low89 Ų89119.7 Ų119.746%0.45660%0.604SS.*Hα-helixtrans-59.5-44.8178.8-61.7172.8000110.1D93 E94 E99 F100 L101D93-I97 PolarHBondContact O-N 3.33Å; D93-I97 VanDerWaalsContact O-N 3.1Å; E94-I97 PolarHBondContact O-N 3.44Å; I97-E99 VanDerWaalsContact C-N 3.33Å; I97-E99 PolarHBondContact O-N 3.07Å; I97-F100 PolarHBondContact O-N 3.28Å; I97-L101 HydrophobicContact CG2-CD1 3.99Å; I97-L101 WeakPolarHBondContact O-CB 3.4Å; I97-L101 WeakPolarHBondContact O-CG 3.32Å; I97-L101 PolarHBondContact O-N 2.89Å
98R74.6Confident63.5Low166 Ų166115.4 Ų115.463%0.62659%0.594SS**Hα-helixtrans-66.5-30.7176.7-166.1-178.9-55.1-90.5-0.2112.6E94 E95 Q96 S102E94-R98 WeakPolarHBondContact O-CB 3.26Å; E94-R98 PolarHBondContact O-N 3.47Å; E94-R98 IonicContact OE2-NH2 2.8Å; E94-R98 PolarHBondContact OE2-NH2 3.35Å; E95-R98 PolarHBondContact O-N 3.49Å; Q96-R98 VanDerWaalsContact C-N 3.3Å; Q96-R98 PolarHBondContact O-N 2.91Å; R98-S102 WeakPolarHBondContact O-CB 3.47Å; R98-S102 PolarHBondContact O-N 3.07Å
99E75.3Confident64.5Low94 Ų94114.9 Ų114.944%0.43959%0.588SS.*Hα-helixtrans-73.8-47.3172.7170.5150.9-133.600112.7E95 Q96 I97 L101 S102 K104 N105E95-E99 VanDerWaalsContact O-CB 3.29Å; E95-E99 WeakPolarHBondContact O-CB 3.41Å; E95-E99 PolarHBondContact O-N 3.22Å; Q96-E99 PolarHBondContact O-N 2.72Å; Q96-E99 VanDerWaalsContact O-N 3.11Å; I97-E99 VanDerWaalsContact C-N 3.33Å; I97-E99 PolarHBondContact O-N 3.07Å; E99-L101 PolarHBondContact O-N 2.76Å; E99-S102 WeakPolarHBondContact O-CB 3.05Å; E99-S102 PolarHBondContact O-N 3.31Å; E99-S102 VanDerWaalsContact O-N 3.09Å; E99-K104 WeakPolarHBondContact OE1-CE 3.11Å; E99-K104 IonicContact OE1-NZ 2.56Å; E99-K104 PolarHBondContact OE1-NZ 3.24Å; E99-N105 PolarHBondContact O-ND2 2.97Å
100F69.6Low65.4Low141 Ų141116.2 Ų116.262%0.61859%0.586SS**Hα-helixtrans-61.9-42.9178-87.5-73.3000112Q96 I97 S102Q96-F100 VanDerWaalsContact O-CD2 3.31Å; Q96-F100 WeakPolarHBondContact O-CD2 3.4Å; Q96-F100 PolarHBondContact O-N 3.21Å; I97-F100 PolarHBondContact O-N 3.28Å; F100-S102 PolarHBondContact O-N 3.08Å
101L70.5Confident65.9Low121 Ų121114.7 Ų114.763%0.63457%0.572SS**THydrogen-bonded Turntrans-77.9-5.2175.9-61.6177.8000113.4I97 E99 L106I97-L101 HydrophobicContact CG2-CD1 3.99Å; I97-L101 WeakPolarHBondContact O-CB 3.4Å; I97-L101 WeakPolarHBondContact O-CG 3.32Å; I97-L101 PolarHBondContact O-N 2.89Å; E99-L101 PolarHBondContact O-N 2.76Å; L101-L106 WeakPolarHBondContact O-CD1 2.95Å
102S75.4Confident65.9Low46 Ų46113.6 Ų113.632%0.32257%0.567SS.*SBendtrans-66.1142.9179.2-166.80000111.9R98 E99 F100 K104 N105 L106R98-S102 WeakPolarHBondContact O-CB 3.47Å; R98-S102 PolarHBondContact O-N 3.07Å; E99-S102 WeakPolarHBondContact O-CB 3.05Å; E99-S102 PolarHBondContact O-N 3.31Å; E99-S102 VanDerWaalsContact O-N 3.09Å; F100-S102 PolarHBondContact O-N 3.08Å; S102-K104 PolarHBondContact O-N 2.98Å; S102-N105 PolarHBondContact O-N 3.34Å; S102-L106 PolarHBondContact O-N 3.46Å
103A62.1Low65.7Low75 Ų75111.2 Ų111.262%0.6256%0.562SS**THydrogen-bonded Turntrans-59.2-14.6-177.500000114.7
104K67.4Low65Low121 Ų121111.4 Ų111.453%0.52657%0.569SS.*THydrogen-bonded Turntrans-66-39.9170.157176.6172.8175.10113E99 S102E99-K104 WeakPolarHBondContact OE1-CE 3.11Å; E99-K104 IonicContact OE1-NZ 2.56Å; E99-K104 PolarHBondContact OE1-NZ 3.24Å; S102-K104 PolarHBondContact O-N 2.98Å
105N65.4Low64.3Low77 Ų77113.3 Ų113.341%0.41258%0.575SS.*THydrogen-bonded Turntrans-87-33.6-174.5-77.5-38.6000112.4E99 S102 K107E99-N105 PolarHBondContact O-ND2 2.97Å; S102-N105 PolarHBondContact O-N 3.34Å; N105-K107 PolarHBondContact O-N 3.22Å
106L62.7Low63.6Low75 Ų75116.5 Ų116.539%0.39358%0.58SS.*THydrogen-bonded Turntrans-72.415177.8-57.2178.9000114.6L101 S102 S108 V109 R110L101-L106 WeakPolarHBondContact O-CD1 2.95Å; S102-L106 PolarHBondContact O-N 3.46Å; L106-S108 PolarHBondContact O-N 3.48Å; L106-V109 PolarHBondContact O-N 3.49Å; L106-R110 PolarHBondContact O-N 3.42Å
107K63.2Low62.9Low156 Ų156117.5 Ų117.568%0.67860%0.599SS**Hα-helixtrans-69.6-30-176-168.1173.1-178.7179.50113.1N105 N111N105-K107 PolarHBondContact O-N 3.22Å; K107-N111 VanDerWaalsContact O-CB 3.26Å; K107-N111 WeakPolarHBondContact O-CB 3.34Å; K107-N111 PolarHBondContact O-N 2.98Å
108S62Low62.1Low86 Ų86117.5 Ų117.560%0.60161%0.607SS**Hα-helixtrans-63.7-5317249.20000111.4L106 R110 N111 D112L106-S108 PolarHBondContact O-N 3.48Å; S108-R110 PolarHBondContact O-N 2.85Å; S108-N111 PolarHBondContact O-N 3.19Å; S108-D112 PolarHBondContact O-N 3.01Å; S108-D112 VanDerWaalsContact O-N 3.14Å
109V60.8Low61.2Low112 Ų112113.5 Ų113.568%0.67962%0.617SS**Hα-helixtrans-54.6-39.9177.9-175.60000111.5L106 N111L106-V109 PolarHBondContact O-N 3.49Å; V109-N111 VanDerWaalsContact C-N 3.33Å; V109-N111 PolarHBondContact O-N 2.95Å
110R59.8Low60.6Low201 Ų201112 Ų11276%0.75862%0.617SS**Hα-helixtrans-72.7-22.6178.5-137.1174.7-168.8120.60.7113.9L106 S108 S113L106-R110 PolarHBondContact O-N 3.42Å; S108-R110 PolarHBondContact O-N 2.85Å; R110-S113 PolarHBondContact O-OG 3.26Å
111N56.6Low59.8Low104 Ų104115.6 Ų115.656%0.55663%0.632SS**Hα-helixtrans-105-7.2-170.9-15738.8000114.3K107 S108 V109 S113 S114K107-N111 VanDerWaalsContact O-CB 3.26Å; K107-N111 WeakPolarHBondContact O-CB 3.34Å; K107-N111 PolarHBondContact O-N 2.98Å; S108-N111 PolarHBondContact O-N 3.19Å; V109-N111 VanDerWaalsContact C-N 3.33Å; V109-N111 PolarHBondContact O-N 2.95Å; N111-S113 PolarHBondContact O-N 3.42Å; N111-S114 VanDerWaalsContact O-CB 3.32Å; N111-S114 WeakPolarHBondContact O-CB 3.17Å; N111-S114 PolarHBondContact O-N 3.23Å; N111-S114 PolarHBondContact O-OG 3.11Å
112D50.3Low59.3Low108 Ų108113.2 Ų113.258%0.57864%0.637SS**G310 helixtrans-70.1-5.3168.5-159.234.6000112.7S108 S114 K115S108-D112 PolarHBondContact O-N 3.01Å; S108-D112 VanDerWaalsContact O-N 3.14Å; D112-S114 PolarHBondContact O-N 3.3Å; D112-S114 VanDerWaalsContact O-N 3.08Å; D112-K115 PolarHBondContact O-N 3.35Å
113S54.4Low58.3Low90 Ų90122.8 Ų122.863%0.62967%0.666SS**G310 helixtrans-51.6-21.8158.652.10000113.6R110 N111 K115R110-S113 PolarHBondContact O-OG 3.26Å; N111-S113 PolarHBondContact O-N 3.42Å; S113-K115 VanDerWaalsContact C-N 3.3Å; S113-K115 PolarHBondContact O-N 2.9Å
114S54.7Low57.9Low83 Ų83129.7 Ų129.758%0.5868%0.676SS**G310 helixtrans-68.2-16.1177.6580000115.6N111 D112N111-S114 VanDerWaalsContact O-CB 3.32Å; N111-S114 WeakPolarHBondContact O-CB 3.17Å; N111-S114 PolarHBondContact O-N 3.23Å; N111-S114 PolarHBondContact O-OG 3.11Å; D112-S114 PolarHBondContact O-N 3.3Å; D112-S114 VanDerWaalsContact O-N 3.08Å
115K53.4Low57.3Low176 Ų176132.9 Ų132.977%0.76570%0.695SS**G310 helixtrans-90.9-5.9-175.3-96-179178173.30116.9D112 S113 S117D112-K115 PolarHBondContact O-N 3.35Å; S113-K115 VanDerWaalsContact C-N 3.3Å; S113-K115 PolarHBondContact O-N 2.9Å; K115-S117 PolarHBondContact O-N 3.41Å
116R54.4Low57.1Low224 Ų224133 Ų13385%0.84570%0.696SS**  trans-99.663.6167.7-80-169.1171.3-179-1.4112.3S118R116-S118 PolarHBondContact O-N 2.78Å
117S55.3Low57.5Low122 Ų122140 Ų14085%0.85372%0.717SS**  trans-73.255.6164.1-162.50000111.9K115K115-S117 PolarHBondContact O-N 3.41Å
118S56Low57.5Low90 Ų90141.5 Ų141.563%0.62973%0.73SS**  trans-117.173.7161.858.20000105.6R116 C120R116-S118 PolarHBondContact O-N 2.78Å; S118-C120 PolarHBondContact O-N 2.86Å
119G56.6Low57.5Low82 Ų82141 Ų14185%0.84574%0.739SS**  trans-69.366.1-16200000114.9
120C61.2Low57.3Low63 Ų63139.1 Ų139.143%0.42673%0.731SS.*  trans-142.870.8-178.7-164.20000112.8S118 C136S118-C120 PolarHBondContact O-N 2.86Å; C120-C136 WeakPolarHBondContact CA-SG 2.88Å; C120-C136 HydrophobicContact CB-CB 3.54Å; C120-C136 WeakPolarHBondContact CB-SG 3.41Å; C120-C136 WeakPolarHBondContact SG-CB 3.45Å; C120-C136 CovalentContact SG-SG 2.02Å; C120-C136 PolarHBondContact SG-SG 2.02Å
121F54.2Low57.3Low216 Ų216138.6 Ų138.695%0.94774%0.74SS**  trans-146.5128.3153.9-103.8-73.4000111.5
122G58.6Low57Low71 Ų71136.9 Ų136.973%0.73274%0.736SS**  trans53.7109154.200000119.3
123R54.6Low57.3Low247 Ų247136.6 Ų136.693%0.93274%0.742SS**SBendtrans-124.3-39.6143.2-66.6-154.477.3156.13.6113.6
124R54.8Low57.4Low220 Ų220139.8 Ų139.883%0.8375%0.751SS**  trans-146144.5166.6-58.3-172.7-168.8-73.3-2.1108.9
125M55Low57.4Low188 Ų188138.6 Ų138.693%0.92675%0.752SS**PPolyproline II helixtrans-79.8116.1158.3-175.3-164.5-60.600105.8R127M125-R127 PolarHBondContact O-N 2.74Å
126D59.5Low57.4Low80 Ų80132.9 Ų132.943%0.42873%0.734SS.*PPolyproline II helixtrans-67.5134177.8-84.4-54.8000110.4S132D126-S132 WeakPolarHBondContact OD2-CB 3.45Å; D126-S132 PolarHBondContact OD2-OG 3.46Å
127R71.9Confident57.3Low220 Ų220128.6 Ų128.683%0.8373%0.728SS**PPolyproline II helixtrans-68.7142-179.7-70.9-175.9173.4-169.6-2.6109.4M125 G129 S130M125-R127 PolarHBondContact O-N 2.74Å; R127-G129 PolarHBondContact O-N 3.19Å; R127-S130 PolarHBondContact O-N 3.28Å
128I62.8Low57.2Low188 Ų188129.4 Ų129.496%0.96473%0.727SS**THydrogen-bonded Turntrans-51116.1178.1-61169.1000109
129G63.1Low57.1Low77 Ų77132.4 Ų132.479%0.79474%0.735SS**THydrogen-bonded Turntrans123.4-27.8-170.800000114.1R127R127-G129 PolarHBondContact O-N 3.19Å
130S56.3Low57Low72 Ų72131.6 Ų131.650%0.50373%0.726SS.*  trans-87.9110.6175.4-68.10000111.7R127 S132R127-S130 PolarHBondContact O-N 3.28Å; S130-S132 PolarHBondContact O-N 3.31Å; S130-S132 VanDerWaalsContact O-N 3.07Å
131M58.8Low56.7Low190 Ų190139.4 Ų139.494%0.93675%0.747SS**  trans-82.475.3177.6-69-137.973.500113S133M131-S133 PolarHBondContact O-N 3.12Å
132S52Low56.6Low68 Ų68138.8 Ų138.848%0.47674%0.74SS.*  trans-82.895.9172.9-68.10000112.1D126 S130 L134D126-S132 WeakPolarHBondContact OD2-CB 3.45Å; D126-S132 PolarHBondContact OD2-OG 3.46Å; S130-S132 PolarHBondContact O-N 3.31Å; S130-S132 VanDerWaalsContact O-N 3.07Å; S132-L134 PolarHBondContact O-N 2.88Å; S132-L134 VanDerWaalsContact O-N 3.1Å
133S56.7Low56.6Low102 Ų102142 Ų14271%0.71374%0.74SS**  trans-75.215.2175.755.50000114.9M131M131-S133 PolarHBondContact O-N 3.12Å
134L56.1Low56.9Low156 Ų156135 Ų13582%0.81773%0.727SS**  trans-109.228.9-169.5-61.3179.3000113.7S132 C136S132-L134 PolarHBondContact O-N 2.88Å; S132-L134 VanDerWaalsContact O-N 3.1Å; L134-C136 PolarHBondContact O-N 3.38Å
135G53.8Low56.6Low59 Ų59138 Ų13861%0.60875%0.746SS**SBendtrans-78.386.5167.700000112.3N137G135-N137 PolarHBondContact O-N 3.18Å
136C54.7Low56.7Low55 Ų55135.5 Ų135.537%0.37274%0.737SS.*  trans49.660.3154-43.20000117.7C120 L134 T138C120-C136 WeakPolarHBondContact CA-SG 2.88Å; C120-C136 HydrophobicContact CB-CB 3.54Å; C120-C136 WeakPolarHBondContact CB-SG 3.41Å; C120-C136 WeakPolarHBondContact SG-CB 3.45Å; C120-C136 CovalentContact SG-SG 2.02Å; C120-C136 PolarHBondContact SG-SG 2.02Å; L134-C136 PolarHBondContact O-N 3.38Å; C136-T138 PolarHBondContact O-N 3.1Å
137N51Low56.5Low135 Ų135138.4 Ų138.472%0.72275%0.753SS**  trans-62.499.3172.9-70.5-39.1000111.7G135 I139G135-N137 PolarHBondContact O-N 3.18Å; N137-I139 PolarHBondContact O-N 3.49Å; N137-I139 VanDerWaalsContact O-N 3.12Å
138T53.7Low55.6Low138 Ų138133.8 Ų133.885%0.84775%0.748SS**  trans-70.4101.5162.140.70000108.2C136 G140C136-T138 PolarHBondContact O-N 3.1Å; T138-G140 VanDerWaalsContact C-N 3.26Å; T138-G140 PolarHBondContact O-N 3.32Å
139I53.8Low55.2Low154 Ų154130.6 Ų130.679%0.7974%0.736SS**  trans-69.586.7178.6-58176.8000108.7N137 R141N137-I139 PolarHBondContact O-N 3.49Å; N137-I139 VanDerWaalsContact O-N 3.12Å; I139-R141 PolarHBondContact O-N 2.62Å
140G54.3Low54.7Low64 Ų64134 Ų13466%0.6673%0.732SS**  trans-58.2129171.700000110T138 Y142T138-G140 VanDerWaalsContact C-N 3.26Å; T138-G140 PolarHBondContact O-N 3.32Å; G140-Y142 PolarHBondContact O-N 3.07Å
141R56.1Low54.6Low227 Ų227138.1 Ų138.186%0.85775%0.747SS**  trans-67.993.5-179.5-66.3-71.5-169.2155.53.7109.9I139 N143I139-R141 PolarHBondContact O-N 2.62Å; R141-N143 PolarHBondContact O-N 2.94Å; R141-N143 VanDerWaalsContact O-N 3.11Å; R141-N143 PolarHBondContact O-ND2 3.06Å
142Y52Low54.3Low204 Ų204134.4 Ų134.480%0.873%0.734SS**  trans-66.5107.8169.1-170-91.4000109.1G140 P144G140-Y142 PolarHBondContact O-N 3.07Å; Y142-P144 HydrophobicContact CE1-CB 4.21Å; Y142-P144 WeakPolarHBondContact O-CD 3.08Å
143N56.9Low54.5Low137 Ų137139.5 Ų139.573%0.73375%0.754SS**  trans-94.7110.6169.5-74.9-81.7000107.9R141R141-N143 PolarHBondContact O-N 2.94Å; R141-N143 VanDerWaalsContact O-N 3.11Å; R141-N143 PolarHBondContact O-ND2 3.06Å
144P62.5Low54.3Low101 Ų101142.7 Ų142.766%0.65676%0.757SS**  trans-66.4153.6166.530-33.3000110.3Y142Y142-P144 HydrophobicContact CE1-CB 4.21Å; Y142-P144 WeakPolarHBondContact O-CD 3.08Å
145K47.2Very low54.2Low282 Ų282141.5 Ų141.5100%1.22675%0.752SS**  trans-100.30160.1-81.3-174.7173.6-178.70109

Retrieved 145 of 145 residues in 23.6 ms (Link to these results)