G4VCN3_SCHMA Loading...

Putative aut1

AlphaFold DB , UniProt , Accession G4VCN3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 262 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
1M40.7Very low54.7Low234 Ų234146.1 Ų146.1100%1.15380%0.795SS**  0132.40-77.9163.999.200108.3
2T50.3Low55.5Low128 Ų128144.1 Ų144.179%0.78579%0.79SS**  trans60.283.5161.265.20000119
3G50.3Low56.7Low77 Ų77146.1 Ų146.179%0.79479%0.791SS**  trans-85.2117.5147.400000108.5
4V53.9Low57.6Low99 Ų99144.9 Ų144.960%0.679%0.79SS**  trans-95.986.5175.8-178.40000106.9H6V4-H6 WeakPolarHBondContact CG1-NE2 3.25Å; V4-H6 PolarHBondContact O-N 3.08Å
5D59.3Low58.6Low159 Ų159146.7 Ų146.785%0.8579%0.788SS**  trans-88.3102.5173-80.2-22000109.2A7D5-A7 PolarHBondContact O-N 3.46Å
6H55.3Low59.4Low139 Ų139141 Ų14164%0.64476%0.762SS**  trans-70.894.6173.2-67.2-70000110.2V4 Y8V4-H6 WeakPolarHBondContact CG1-NE2 3.25Å; V4-H6 PolarHBondContact O-N 3.08Å; H6-Y8 HydrophobicContact CB-CD2 4.18Å; H6-Y8 HydrophobicContact CB-CE2 3.86Å; H6-Y8 PolarHBondContact O-N 3.41Å; H6-Y8 VanDerWaalsContact O-N 3.1Å
7A56Low60.2Low92 Ų92144.9 Ų144.976%0.7676%0.763SS**  trans-74.992.416800000109.9D5 Q9D5-A7 PolarHBondContact O-N 3.46Å; A7-Q9 PolarHBondContact O-N 3.43Å; A7-Q9 VanDerWaalsContact O-N 3.17Å
8Y53.9Low60.6Low175 Ų175145 Ų14569%0.68676%0.757SS**  trans-71.7102.6167.4-75.1-85.8000109.4H6 Y10H6-Y8 HydrophobicContact CB-CD2 4.18Å; H6-Y8 HydrophobicContact CB-CE2 3.86Å; H6-Y8 PolarHBondContact O-N 3.41Å; H6-Y8 VanDerWaalsContact O-N 3.1Å; Y8-Y10 PolarHBondContact O-N 3.31Å
9Q60.2Low60.8Low191 Ų191140 Ų14089%0.89374%0.735SS**  trans-79.2108.1166.9-80.3179.4-17.200109.1A7A7-Q9 PolarHBondContact O-N 3.43Å; A7-Q9 VanDerWaalsContact O-N 3.17Å
10Y57Low60.9Low198 Ų198139.6 Ų139.678%0.77673%0.733SS**  trans-87.3112.3165.6-65-82.7000108.6Y8Y8-Y10 PolarHBondContact O-N 3.31Å
11S65.3Low60.8Low115 Ų115139.3 Ų139.380%0.80473%0.726SS**  trans-87.3121.5166.650.90000109.3
12V64.2Low61.9Low122 Ų122133.9 Ų133.974%0.73970%0.701SS**  trans-96.2116173178.40000108.3V14V12-V14 HydrophobicContact CG1-CG2 4.09Å; V12-V14 PolarHBondContact O-N 3.47Å
13E70.3Confident62.4Low170 Ų170133.2 Ų133.279%0.79469%0.693SS**  trans-77.1109168.6-70.8-178.1-175.500109.4K15E13-K15 PolarHBondContact O-N 3.41Å
14V69.5Low62.8Low129 Ų129133.8 Ų133.878%0.78268%0.678SS**  trans-91.295.9172.9-172.60000108.1V12 S16V12-V14 HydrophobicContact CG1-CG2 4.09Å; V12-V14 PolarHBondContact O-N 3.47Å; V14-S16 PolarHBondContact O-N 2.98Å
15K73Confident63.1Low173 Ų173134.7 Ų134.775%0.75268%0.684SS**  trans-65.8119169.9-82.4-179.1169.2179.30109.2E13 R17E13-K15 PolarHBondContact O-N 3.41Å; K15-R17 PolarHBondContact O-N 3.44Å
16S71.6Confident63.1Low55 Ų55131.4 Ų131.439%0.38567%0.669SS.*  trans-56.2136.4174.2178.20000109.7V14 F18 S19V14-S16 PolarHBondContact O-N 2.98Å; S16-F18 PolarHBondContact O-N 2.85Å; S16-F18 WeakPolarHBondContact OG-CD2 3.2Å; S16-F18 PolarHBondContact OG-N 3.44Å; S16-F18 VanDerWaalsContact OG-N 3.15Å; S16-S19 WeakPolarHBondContact O-CB 3.37Å; S16-S19 PolarHBondContact O-N 3.2Å
17R73.1Confident63.3Low207 Ų207130 Ų13078%0.78167%0.667SS**THydrogen-bonded Turntrans-55.7-19.2169.2-90.9175.981.6152.50.8111.9K15K15-R17 PolarHBondContact O-N 3.44Å
18F66.9Low63.8Low147 Ų147130.3 Ų130.365%0.64566%0.663SS**THydrogen-bonded Turntrans-86.7-13.2176.6-54.9-76.4000114.4S16 L20 F21S16-F18 PolarHBondContact O-N 2.85Å; S16-F18 WeakPolarHBondContact OG-CD2 3.2Å; S16-F18 PolarHBondContact OG-N 3.44Å; S16-F18 VanDerWaalsContact OG-N 3.15Å; F18-L20 PolarHBondContact O-N 2.95Å; F18-F21 HydrophobicContact CB-CD2 4.37Å; F18-F21 HydrophobicContact CD1-CD2 4Å; F18-F21 HydrophobicContact CD1-CE2 4.13Å; F18-F21 PolarHBondContact O-N 3.36Å
19S65Low64.6Low50 Ų50124.9 Ų124.935%0.3564%0.644SS.*G310 helixtrans-65.6-26.3174.8-76.40000112.7S16 F21 L22S16-S19 WeakPolarHBondContact O-CB 3.37Å; S16-S19 PolarHBondContact O-N 3.2Å; S19-F21 PolarHBondContact O-N 3.48Å; S19-L22 PolarHBondContact O-N 2.85Å; S19-L22 VanDerWaalsContact O-N 3.16Å
20L61.6Low65.5Low132 Ų132119.4 Ų119.469%0.69162%0.621SS**G310 helixtrans-66-16.8172-80.9148.9000113.2F18F18-L20 PolarHBondContact O-N 2.95Å
21F60.3Low66.4Low134 Ų134114.2 Ų114.259%0.58861%0.611SS**G310 helixtrans-97.7-6175.9-54.6-64.3000112.9F18 S19 N27F18-F21 HydrophobicContact CB-CD2 4.37Å; F18-F21 HydrophobicContact CD1-CD2 4Å; F18-F21 HydrophobicContact CD1-CE2 4.13Å; F18-F21 PolarHBondContact O-N 3.36Å; S19-F21 PolarHBondContact O-N 3.48Å; F21-N27 PolarHBondContact O-ND2 3.01Å
22L62.8Low67.2Low119 Ų119113.7 Ų113.762%0.62360%0.599SS**  trans-87.8-7.4175.5-70.1169.7000112.5S19 D24S19-L22 PolarHBondContact O-N 2.85Å; S19-L22 VanDerWaalsContact O-N 3.16Å; L22-D24 PolarHBondContact O-N 3.01Å
23D60.2Low68Low115 Ų115111.7 Ų111.762%0.61558%0.584SS**  trans-74.168.4169.5-70-26.9000109T25D23-T25 PolarHBondContact O-N 3.5Å
24D59.6Low68.5Low89 Ų89106.5 Ų106.548%0.47656%0.561SS.*THydrogen-bonded Turntrans-63.217.4-171.6-87.2-21.5000115.7L22 V26 N27 S28L22-D24 PolarHBondContact O-N 3.01Å; D24-V26 PolarHBondContact O-N 3.32Å; D24-N27 VanDerWaalsContact OD1-CB 3.28Å; D24-N27 WeakPolarHBondContact OD1-CB 3.29Å; D24-N27 PolarHBondContact OD1-ND2 2.97Å; D24-S28 PolarHBondContact O-N 3.16Å; D24-S28 PolarHBondContact O-OG 3.45Å
25T60.2Low69.1Low118 Ų118104.7 Ų104.772%0.72455%0.547SS*.THydrogen-bonded Turntrans-70-21.2169.8610000112.3D23D23-T25 PolarHBondContact O-N 3.5Å
26V59.1Low69.4Low89 Ų8999.9 Ų99.954%0.53954%0.535SS..THydrogen-bonded Turntrans-103.6-21179.6-150.30000112.4D24D24-V26 PolarHBondContact O-N 3.32Å
27N59.8Low70Confident111 Ų111101.6 Ų101.659%0.59454%0.535SS*.THydrogen-bonded Turntrans-86.8-14.5179.6-76.4-21.6000113.8F21 D24 E29F21-N27 PolarHBondContact O-ND2 3.01Å; D24-N27 VanDerWaalsContact OD1-CB 3.28Å; D24-N27 WeakPolarHBondContact OD1-CB 3.29Å; D24-N27 PolarHBondContact OD1-ND2 2.97Å; N27-E29 VanDerWaalsContact C-N 3.33Å
28S66.8Low70.3Confident98 Ų9896.9 Ų96.969%0.68553%0.525SS*.SBendtrans-89.2-2.717548.80000113D24D24-S28 PolarHBondContact O-N 3.16Å; D24-S28 PolarHBondContact O-OG 3.45Å
29E70.2Confident71Confident60 Ų6096.5 Ų96.528%0.2853%0.525SS..SBendtrans-81.3130.6-177.6-161.6146.9-127.900110.9N27 I33 L34 K37N27-E29 VanDerWaalsContact C-N 3.33Å; E29-I33 HydrophobicContact CG-CB 4.26Å; E29-I33 HydrophobicContact CG-CG2 3.99Å; E29-L34 HydrophobicContact CB-CD1 4.48Å; E29-L34 HydrophobicContact CB-CD2 4.13Å; E29-L34 HydrophobicContact CB-CG 4.16Å; E29-L34 HydrophobicContact CG-CD2 4.06Å; E29-L34 HydrophobicContact CG-CG 4.1Å; E29-K37 WeakPolarHBondContact OE1-CE 3.32Å; E29-K37 IonicContact OE1-NZ 2.55Å; E29-K37 PolarHBondContact OE1-NZ 3.01Å; E29-K37 IonicContact OE2-NZ 2.74Å; E29-K37 PolarHBondContact OE2-NZ 2.81Å
30D78.2Confident71.4Confident77 Ų7797.8 Ų97.841%0.41253%0.534SS..  trans-54.6128.8179.5-175.1-21.6000110.1D32 I33 L34D30-D32 PolarHBondContact O-N 3.26Å; D30-D32 VanDerWaalsContact O-N 3.09Å; D30-D32 PolarHBondContact OD1-N 3.13Å; D30-I33 HydrophobicContact CB-CB 4.08Å; D30-I33 HydrophobicContact CB-CD1 3.64Å; D30-I33 HydrophobicContact CB-CG1 3.74Å; D30-I33 WeakPolarHBondContact O-CA 3.37Å; D30-I33 WeakPolarHBondContact O-CB 3.49Å; D30-I33 PolarHBondContact O-N 3.48Å; D30-L34 PolarHBondContact O-N 3.33Å
31P77.8Confident71.9Confident89 Ų8998.9 Ų98.958%0.57853%0.533SS*.Hα-helixtrans-52.6-31.6177.822.3-35.3000113.1L34 L35P31-L34 PolarHBondContact O-N 3.25Å; P31-L35 WeakPolarHBondContact O-CB 3.41Å; P31-L35 WeakPolarHBondContact O-CD1 3.48Å; P31-L35 WeakPolarHBondContact O-CG 3.47Å; P31-L35 PolarHBondContact O-N 3.21Å
32D80.9Confident72.1Confident104 Ų104102.7 Ų102.756%0.55654%0.544SS*.Hα-helixtrans-72.9-33.9178.5-70-15.2000111.9D30 S36D30-D32 PolarHBondContact O-N 3.26Å; D30-D32 VanDerWaalsContact O-N 3.09Å; D30-D32 PolarHBondContact OD1-N 3.13Å; D32-S36 WeakPolarHBondContact O-CB 3.45Å; D32-S36 PolarHBondContact O-N 3.32Å; D32-S36 PolarHBondContact O-OG 3.19Å
33I80.7Confident72Confident80 Ų8099.9 Ų99.941%0.4154%0.544SS..Hα-helixtrans-69.4-40.6172.7-63175.2000110E29 D30 S36 K37E29-I33 HydrophobicContact CG-CB 4.26Å; E29-I33 HydrophobicContact CG-CG2 3.99Å; D30-I33 HydrophobicContact CB-CB 4.08Å; D30-I33 HydrophobicContact CB-CD1 3.64Å; D30-I33 HydrophobicContact CB-CG1 3.74Å; D30-I33 WeakPolarHBondContact O-CA 3.37Å; D30-I33 WeakPolarHBondContact O-CB 3.49Å; D30-I33 PolarHBondContact O-N 3.48Å; I33-S36 WeakPolarHBondContact O-CB 3.36Å; I33-S36 PolarHBondContact O-N 2.79Å; I33-K37 HydrophobicContact CG2-CD 4.42Å; I33-K37 WeakPolarHBondContact O-CG 3.38Å; I33-K37 PolarHBondContact O-N 2.68Å
34L82Confident71.9Confident61 Ų61102.6 Ų102.632%0.31955%0.552SS.*Hα-helixtrans-62.2-43.8175.7-70.9172.4000111.9E29 D30 P31 K37 L38E29-L34 HydrophobicContact CB-CD1 4.48Å; E29-L34 HydrophobicContact CB-CD2 4.13Å; E29-L34 HydrophobicContact CB-CG 4.16Å; E29-L34 HydrophobicContact CG-CD2 4.06Å; E29-L34 HydrophobicContact CG-CG 4.1Å; D30-L34 PolarHBondContact O-N 3.33Å; P31-L34 PolarHBondContact O-N 3.25Å; L34-K37 PolarHBondContact O-N 2.94Å; L34-L38 WeakPolarHBondContact O-CB 3.49Å; L34-L38 WeakPolarHBondContact O-CG 3.42Å; L34-L38 PolarHBondContact O-N 3.21Å
35L81.1Confident71.8Confident91 Ų91107.2 Ų107.248%0.47657%0.569SS.*Hα-helixtrans-60-46.4174.3-80.7160000111.3P31 K37 L38 Q39P31-L35 WeakPolarHBondContact O-CB 3.41Å; P31-L35 WeakPolarHBondContact O-CD1 3.48Å; P31-L35 WeakPolarHBondContact O-CG 3.47Å; P31-L35 PolarHBondContact O-N 3.21Å; L35-K37 VanDerWaalsContact C-N 3.35Å; L35-K37 PolarHBondContact O-N 2.7Å; L35-L38 PolarHBondContact O-N 2.94Å; L35-Q39 WeakPolarHBondContact O-CB 3.29Å; L35-Q39 VanDerWaalsContact O-CG 3.29Å; L35-Q39 WeakPolarHBondContact O-CG 3.42Å; L35-Q39 PolarHBondContact O-N 3.21Å
36S80.4Confident71.5Confident72 Ų72107.2 Ų107.250%0.50357%0.568SS.*Hα-helixtrans-59.7-43176.9-60.50000112.1D32 I33 Q39 S40D32-S36 WeakPolarHBondContact O-CB 3.45Å; D32-S36 PolarHBondContact O-N 3.32Å; D32-S36 PolarHBondContact O-OG 3.19Å; I33-S36 WeakPolarHBondContact O-CB 3.36Å; I33-S36 PolarHBondContact O-N 2.79Å; S36-Q39 PolarHBondContact O-N 3.32Å; S36-S40 WeakPolarHBondContact O-CB 3.37Å; S36-S40 PolarHBondContact O-N 3Å; S36-S40 PolarHBondContact O-OG 2.69Å
37K82.7Confident71.5Confident90 Ų90112.7 Ų112.739%0.39159%0.585SS.*Hα-helixtrans-65.7-36.7175.5-74-179-177.4-175.30113.1E29 I33 L34 L35 S40 K41E29-K37 WeakPolarHBondContact OE1-CE 3.32Å; E29-K37 IonicContact OE1-NZ 2.55Å; E29-K37 PolarHBondContact OE1-NZ 3.01Å; E29-K37 IonicContact OE2-NZ 2.74Å; E29-K37 PolarHBondContact OE2-NZ 2.81Å; I33-K37 HydrophobicContact CG2-CD 4.42Å; I33-K37 WeakPolarHBondContact O-CG 3.38Å; I33-K37 PolarHBondContact O-N 2.68Å; L34-K37 PolarHBondContact O-N 2.94Å; L35-K37 VanDerWaalsContact C-N 3.35Å; L35-K37 PolarHBondContact O-N 2.7Å; K37-S40 WeakPolarHBondContact CA-OG 3.49Å; K37-S40 PolarHBondContact O-OG 3.39Å; K37-S40 VanDerWaalsContact O-OG 3.04Å; K37-K41 WeakPolarHBondContact O-CB 3.46Å; K37-K41 VanDerWaalsContact O-CG 3.32Å; K37-K41 WeakPolarHBondContact O-CG 3.41Å; K37-K41 PolarHBondContact O-N 2.96Å; K37-K41 VanDerWaalsContact O-N 3.16Å
38L81.1Confident71.2Confident108 Ų108117.3 Ų117.357%0.56560%0.6SS**Hα-helixtrans-72.5-38.5177.5-76.5168.4000112L34 L35 R42L34-L38 WeakPolarHBondContact O-CB 3.49Å; L34-L38 WeakPolarHBondContact O-CG 3.42Å; L34-L38 PolarHBondContact O-N 3.21Å; L35-L38 PolarHBondContact O-N 2.94Å; L38-R42 WeakPolarHBondContact O-CG 3.37Å; L38-R42 PolarHBondContact O-N 2.91Å
39Q80.3Confident70.4Confident139 Ų139120.4 Ų120.465%0.6561%0.608SS**Hα-helixtrans-69-42.8176.2-72.3179.5-4.200111.4L35 S36 K41 R42L35-Q39 WeakPolarHBondContact O-CB 3.29Å; L35-Q39 VanDerWaalsContact O-CG 3.29Å; L35-Q39 WeakPolarHBondContact O-CG 3.42Å; L35-Q39 PolarHBondContact O-N 3.21Å; S36-Q39 PolarHBondContact O-N 3.32Å; Q39-K41 PolarHBondContact O-N 3.44Å; Q39-R42 PolarHBondContact O-N 3.3Å
40S74.1Confident69.5Low77 Ų77127 Ų12754%0.53864%0.636SS.*Hα-helixtrans-63.5-41.4177.466.80000112.1S36 K37 R42 G43S36-S40 WeakPolarHBondContact O-CB 3.37Å; S36-S40 PolarHBondContact O-N 3Å; S36-S40 PolarHBondContact O-OG 2.69Å; K37-S40 WeakPolarHBondContact CA-OG 3.49Å; K37-S40 PolarHBondContact O-OG 3.39Å; K37-S40 VanDerWaalsContact O-OG 3.04Å; S40-R42 VanDerWaalsContact C-N 3.28Å; S40-R42 PolarHBondContact O-N 2.88Å; S40-G43 PolarHBondContact O-N 3.33Å
41K72.2Confident67.9Low156 Ų156129 Ų12968%0.67865%0.654SS**Hα-helixtrans-67.3-21.9175.6-76.1-171.7175.9-1730114.5K37 Q39K37-K41 WeakPolarHBondContact O-CB 3.46Å; K37-K41 VanDerWaalsContact O-CG 3.32Å; K37-K41 WeakPolarHBondContact O-CG 3.41Å; K37-K41 PolarHBondContact O-N 2.96Å; K37-K41 VanDerWaalsContact O-N 3.16Å; Q39-K41 PolarHBondContact O-N 3.44Å
42R63.8Low66Low214 Ų214132.3 Ų132.381%0.80866%0.661SS**Hα-helixtrans-80.6-18.5177.7-82.6-179.4174.1175.4-0.7113.4L38 Q39 S40L38-R42 WeakPolarHBondContact O-CG 3.37Å; L38-R42 PolarHBondContact O-N 2.91Å; Q39-R42 PolarHBondContact O-N 3.3Å; S40-R42 VanDerWaalsContact C-N 3.28Å; S40-R42 PolarHBondContact O-N 2.88Å
43G60.1Low64.3Low60 Ų60134.9 Ų134.962%0.61967%0.674SS**SBendtrans-85.4-12.2179.600000115.6S40 K45S40-G43 PolarHBondContact O-N 3.33Å; G43-K45 PolarHBondContact O-N 3.19Å
44E58.7Low62.3Low171 Ų171138.9 Ų138.980%0.79969%0.691SS**THydrogen-bonded Turntrans-93.723.6-167-148.5-179.5175.800114.3
45K58.2Low60.5Low187 Ų187144.3 Ų144.381%0.81372%0.715SS**THydrogen-bonded Turntrans-106.412.5-176.6-69.6-167.7176.8-177.50115.4G43G43-K45 PolarHBondContact O-N 3.19Å
46T54.4Low58.7Low117 Ų117148.3 Ų148.372%0.71873%0.731SS**SBendtrans-143.780.2-178.853.70000111.8
47K58.9Low56.8Low205 Ų205154 Ų15489%0.89175%0.749SS**  trans164.292145.6-90.1164.2-174.8-173.80109.6D49K47-D49 PolarHBondContact O-N 2.91Å
48K52.7Low55Low207 Ų207155.1 Ų155.190%0.976%0.763SS**  trans13.991.3135.5-158.6-176.1-167.9-174.40115.1
49D50.2Low52.8Low163 Ų163153.3 Ų153.387%0.87276%0.764SS**  trans-162.3148.7141.7-96.7-27.8000111.9K47K47-D49 PolarHBondContact O-N 2.91Å
50K50.2Low51.3Low198 Ų198152.8 Ų152.886%0.86177%0.773SS**  trans-77.5164.2-158.7-104.4158.8173.4172.30114.3
51P44.5Very low50Low121 Ų121156.4 Ų156.479%0.78679%0.785SS**  trans-88.4125.2-146.934.8-33.5000112.3
52H39Very low48.5Very low157 Ų157158 Ų15873%0.72779%0.792SS**  trans-159.191.9166.4-160.578.1000110.5
53L46.1Very low47.8Very low158 Ų158153.5 Ų153.583%0.82779%0.788SS**  trans-155.997.6149.9-106.4162.4000108Q55L53-Q55 PolarHBondContact O-N 3.47Å
54Q37.4Very low46.8Very low164 Ų164157.5 Ų157.577%0.76680%0.796SS**  trans-49.996.8163.3-65.7171.39.400108.7
55Q44.6Very low46.3Very low175 Ų175155 Ų15582%0.81879%0.792SS**  trans-95106158.4-80.1-173.6-1.600107.3L53 H57L53-Q55 PolarHBondContact O-N 3.47Å; Q55-H57 PolarHBondContact O-N 3.04Å
56Q43.8Very low45.6Very low175 Ų175152.7 Ų152.782%0.81879%0.787SS**  trans-33.898.9172.3-68.7163.4-53.500111.8V58Q56-V58 HydrophobicContact CB-CG2 4.24Å; Q56-V58 PolarHBondContact O-N 3.16Å
57H40.6Very low44.9Very low191 Ų191152.6 Ų152.688%0.88479%0.787SS**  trans-66.992.2146.8-95-87.3000106.2Q55 A59Q55-H57 PolarHBondContact O-N 3.04Å; H57-A59 PolarHBondContact O-N 3.31Å
58V43.4Very low44.1Very low114 Ų114152 Ų15269%0.69178%0.784SS**  trans-62.696.6160.7179.10000105.6Q56Q56-V58 HydrophobicContact CB-CG2 4.24Å; Q56-V58 PolarHBondContact O-N 3.16Å
59A36.5Very low44Very low71 Ų71148.1 Ų148.159%0.58778%0.783SS**PPolyproline II helixtrans-54.6130.2166.200000107.9H57 L61H57-A59 PolarHBondContact O-N 3.31Å; A59-L61 PolarHBondContact O-N 2.61Å; A59-L61 VanDerWaalsContact O-N 3.1Å
60P48.2Very low43.6Very low128 Ų128143.5 Ų143.583%0.83177%0.773SS**PPolyproline II helixtrans-62.2121.5168.7-14.228000107.4
61L47Very low43.1Very low153 Ų153140.1 Ų140.180%0.80177%0.769SS**PPolyproline II helixtrans-48.6141.8174-8398.5000111.1A59 V63A59-L61 PolarHBondContact O-N 2.61Å; A59-L61 VanDerWaalsContact O-N 3.1Å; L61-V63 PolarHBondContact O-N 2.84Å
62K39.8Very low43.3Very low189 Ų189143.4 Ų143.482%0.82277%0.771SS**  trans-35.9119.9162-56.3172.4-179-179.70110.7
63V48.6Very low43.9Very low119 Ų119140.9 Ų140.972%0.72177%0.767SS**  trans-12282.1157.5-171.80000106.8L61 T65L61-V63 PolarHBondContact O-N 2.84Å; V63-T65 PolarHBondContact O-N 2.99Å
64D40.7Very low43.9Very low145 Ų145141.4 Ų141.478%0.77577%0.765SS**  trans-63.199.6163.6-75.3-40.9000107.8I66D64-I66 PolarHBondContact O-N 2.96Å
65T47.3Very low44Very low119 Ų119140 Ų14073%0.7377%0.768SS**  trans-93.689.8175.2-45.90000109.3V63V63-T65 PolarHBondContact O-N 2.99Å
66I44.7Very low43.9Very low138 Ų138135.6 Ų135.671%0.70876%0.761SS**  trans5.6125.4143-29.4178.2000116.2D64D64-I66 PolarHBondContact O-N 2.96Å
67T37.8Very low44.1Very low115 Ų115133.8 Ų133.871%0.70676%0.762SS**  133.8130.3112.6-15.80000115.9
68K43.2Very low44.5Very low193 Ų193130.4 Ų130.484%0.83976%0.757SS**  trans101.983.3151-58.8179.7-174.6176.80119.2
69S50.5Low44.5Very low125 Ų125135 Ų13587%0.87477%0.768SS**  trans173.1125.8133.954.90000105.4
70G41.4Very low44.7Very low65 Ų65136.6 Ų136.667%0.6778%0.781SS**  cis134122.932.700000105.3
71V40.6Very low44.6Very low127 Ų127133.9 Ų133.977%0.7778%0.776SS**  trans83.2113.6150.6-169.50000118.5
72K47.6Very low44.6Very low191 Ų191131.4 Ų131.483%0.8377%0.772SS**  trans72.9142.9148.4-76.3172.9-178.7-178.20118.5
73V51.9Low45Very low104 Ų104133 Ų13363%0.6377%0.772SS**  cis-179.3152.8-13.5128.80000103.6
74E46.2Very low44.6Very low169 Ų169133 Ų13379%0.7977%0.772SS**  trans71.8105.7164.3-77.8151.7-156.400118.5
75T38.5Very low44.9Very low135 Ų135131.7 Ų131.783%0.82877%0.774SS**  72.8102.670.2-52.50000113.3
76A43.6Very low44.7Very low82 Ų82135.5 Ų135.568%0.67878%0.781SS**  157.5118.312000000114.6
77T47.1Very low44.7Very low136 Ų136135.2 Ų135.283%0.83479%0.786SS**  trans68.1126140.754.40000123.2
78P49.8Very low45.3Very low120 Ų120135 Ų13578%0.77979%0.787SS**  trans-101.6137.4161.935.9-25.4000111.7
79K43.1Very low45.5Very low211 Ų211133.4 Ų133.492%0.91779%0.787SS**  trans-179.6136.7150.7-111.4168.8-178.2174.60115.1
80A41.7Very low45.4Very low105 Ų105131.7 Ų131.787%0.86878%0.775SS**  trans80125.5132.800000121.6
81G44.2Very low45.8Very low70 Ų70134 Ų13472%0.72278%0.776SS**  trans160.194.7152.100000111.3
82S49Very low46.1Very low102 Ų102136.2 Ų136.271%0.71378%0.779SS**  72.712983173.60000111.5
83R46.6Very low46.5Very low222 Ų222132.1 Ų132.184%0.83877%0.771SS**  cis-169.6134.413-102.7162.9-171.1-170.20.6106.3
84V40.4Very low46.5Very low118 Ų118133 Ų13372%0.71578%0.779SS**  49114.2107.8-171.10000117.9
85S47.8Very low46.8Very low118 Ų118130.4 Ų130.483%0.82578%0.777SS**  trans-174105131.1-1.40000109.5
86K42.8Very low47.9Very low199 Ų199130.7 Ų130.787%0.86578%0.778SS**  74.3115.887.8-78.3-175177.4-178.80115.9
87T44.2Very low48.8Very low133 Ų133132.2 Ų132.282%0.81678%0.781SS**  trans-64.5169.6173.454.20000113.8
88P50.2Low49.3Very low110 Ų110131.2 Ų131.271%0.71478%0.777SS**  -153162.384.537.9-17.8000118.1
89N48.3Very low49.8Very low159 Ų159134.7 Ų134.785%0.8578%0.783SS**  trans70.9143.3147.1-80.80.2000120.2
90S49Very low49.9Very low89 Ų89132 Ų13262%0.62278%0.779SS**  cis-178.1163.42.1177.60000108.9
91T48.8Very low50.6Low114 Ų114133.3 Ų133.370%0.69978%0.775SS**  trans78.8119.2152.5-380000115
92E48.2Very low50.6Low174 Ų174138.4 Ų138.481%0.81378%0.78SS**  cis-168.2-179.132.8-131.5-172.5117.600109.6
93P54.6Low50.8Low104 Ų104140.3 Ų140.368%0.67578%0.781SS**  trans-109.5178.1-136.821.75.8000113.6
94P52.8Low51Low122 Ų122135.5 Ų135.579%0.79278%0.776SS**  trans-104.1-167.1-178.644-34.5000112.3
95P52.6Low51.4Low116 Ų116135 Ų13575%0.75378%0.779SS**  -112.4161.9-10235.3-17000115.7
96V61.6Low51.7Low141 Ų141135.3 Ų135.386%0.85578%0.776SS**  trans-155131.3167.4-169.70000113.1
97P62.3Low52Low113 Ų113136.1 Ų136.173%0.73478%0.779SS**  trans-108.8-171.7157.140.2-29.1000110.4
98P58.1Low52.2Low115 Ų115132.7 Ų132.775%0.74777%0.77SS**  cis-122164-27.938.3-24.5000112.2
99E60.3Low52.1Low193 Ų193133.7 Ų133.790%0.90277%0.774SS**  trans-149137.5160.8-69.8-165167.700113.6
100D44.7Very low52.3Low156 Ų156132.7 Ų132.783%0.83477%0.769SS**  trans-63.3139.2178.1-68.2-56.6000113.5
101V56.8Low52.6Low131 Ų131135.1 Ų135.179%0.79477%0.771SS**  trans-120.395.4163.1-176.60000109.1I103V101-I103 HydrophobicContact CG1-CD1 4.32Å; V101-I103 HydrophobicContact CG1-CG1 4.14Å
102Q43Very low52.7Low178 Ų178135.7 Ų135.783%0.83278%0.776SS**  trans-80.6122.4159.5-65179.632.600109
103I54.8Low52.7Low142 Ų142133.5 Ų133.573%0.72877%0.768SS**  trans-147.298.1154-46.8177.5000110.9V101V101-I103 HydrophobicContact CG1-CD1 4.32Å; V101-I103 HydrophobicContact CG1-CG1 4.14Å
104T49.7Very low52.3Low120 Ų120133.1 Ų133.174%0.73677%0.768SS**  trans22.1150.1136.659.90000125
105S49.7Very low52Low109 Ų109132.5 Ų132.576%0.76276%0.763SS**  trans80.9137.8149.7-79.80000118.8
106T52.9Low51.7Low124 Ų124136.4 Ų136.476%0.76177%0.768SS**  cis-168.3135.25.431.80000109.4
107K49.8Very low51.2Low216 Ų216135.3 Ų135.394%0.93976%0.762SS**  trans46.7117.8133.4-147.5177.5-172.9-178.20121.2
108G48.9Very low50.3Low61 Ų61141.3 Ų141.363%0.62977%0.769SS**  trans155.796.5156.300000111.6
109T48.1Very low49.6Very low131 Ų131139.4 Ų139.480%0.80477%0.771SS**  55.1106.9105-35.80000110.9
110D52.5Low49.2Very low137 Ų137142.1 Ų142.173%0.73377%0.773SS**  -176.7154.862.4-130.3-20000111.1
111E54.8Low49.3Very low141 Ų141138 Ų13866%0.65977%0.767SS**  trans63.7118.3152.8-65.4-84.812500122.2I113E111-I113 VanDerWaalsContact OE2-CD1 3.25Å; E111-I113 WeakPolarHBondContact OE2-CD1 3.39Å
112P50.4Low48.9Very low126 Ų126138.2 Ų138.282%0.81877%0.771SS**  trans-105.297167.435.9-23.1000111.3
113I48Very low49.2Very low127 Ų127133.5 Ų133.565%0.65177%0.771SS**  trans-141.199.4172.5-49.5176000111.1E111E111-I113 VanDerWaalsContact OE2-CD1 3.25Å; E111-I113 WeakPolarHBondContact OE2-CD1 3.39Å
114S46.8Very low49.1Very low96 Ų96139.2 Ų139.267%0.67178%0.783SS**  trans-139.970.7152.7-162.70000110F116S114-F116 PolarHBondContact O-N 2.94Å; S114-F116 WeakPolarHBondContact OG-CE2 3.28Å
115T46.4Very low49.1Very low110 Ų110136.9 Ų136.968%0.67578%0.783SS**  trans-75.796.2158.138.70000108.6V117T115-V117 PolarHBondContact O-N 3.09Å
116F45.9Very low49.5Very low198 Ų198138.3 Ų138.387%0.86879%0.787SS**  trans-73.288.3158.8-77-75.9000108.5S114 R118S114-F116 PolarHBondContact O-N 2.94Å; S114-F116 WeakPolarHBondContact OG-CE2 3.28Å; F116-R118 PolarHBondContact O-N 2.93Å
117V51.2Low49.9Very low118 Ų118138.6 Ų138.672%0.71579%0.791SS**  trans-64.4122.9173.1173.20000109.4T115 G119T115-V117 PolarHBondContact O-N 3.09Å; V117-G119 PolarHBondContact O-N 3.43Å
118R42.7Very low50Low238 Ų238140.4 Ų140.490%0.89879%0.792SS**  trans-31.696.7158.4179.5174.1-80.7-173.4-6.9112.6F116 R120F116-R118 PolarHBondContact O-N 2.93Å; R118-R120 PolarHBondContact O-N 2.81Å
119G45.1Very low50.2Low76 Ų76140.9 Ų140.978%0.78480%0.797SS**  trans-82.3103.7173.900000112.2V117V117-G119 PolarHBondContact O-N 3.43Å
120R50.8Low50.3Low250 Ų250143.6 Ų143.694%0.94380%0.803SS**  trans-72.7125.5155.2-85.6-176176.3-168.1-0108.1R118R118-R120 PolarHBondContact O-N 2.81Å
121G47.8Very low50.4Low69 Ų69149.2 Ų149.271%0.71181%0.814SS**  trans-143.9123.6168.300000110.4
122P47.7Very low50.3Low136 Ų136149.3 Ų149.388%0.88382%0.824SS**  trans-90.3136.8-178.935-29.2000110.2
123G50Low50.2Low79 Ų79146.4 Ų146.481%0.81482%0.817SS**  trans-160.859.4-17600000114.1G125G123-G125 PolarHBondContact O-N 3.26Å
124R51Low50.4Low262 Ų262153.2 Ų153.299%0.98983%0.834SS**  trans-69.9117.2163.6-84.1-176.9172.5-170.5-1.7108.8
125G50.1Low50.6Low71 Ų71152 Ų15273%0.73284%0.837SS**  trans-137.198.9168.500000110.6G123G123-G125 PolarHBondContact O-N 3.26Å
126T59.1Low50.9Low139 Ų139156.5 Ų156.585%0.85385%0.85SS**  trans-104123.7158.5460000107.9
127P60.8Low51.3Low130 Ų130150 Ų15084%0.84484%0.84SS**  trans-82.7133.1168.231.1-28.3000110
128R52.4Low51.8Low253 Ų253150.2 Ų150.296%0.95584%0.844SS**  trans-58.1152.4173.4-64.9161.9162.9160.1-7.2112.6
129G51.5Low52.3Low72 Ų72150.9 Ų150.974%0.74285%0.846SS**  trans131.7126.1161.700000111
130M52Low52.8Low187 Ų187155.7 Ų155.792%0.92185%0.85SS**  cis-149.6141.619.2-69.5-171165.900109.7
131R53.9Low53Low255 Ų255147.8 Ų147.896%0.96284%0.839SS**  trans-98.796.7176.4-169.2-169-147.1-153.48.8107.5
132V52Low53.7Low143 Ų143150.2 Ų150.287%0.86784%0.842SS**  trans-154.7130.3165.3-169.20000105.1
133G48.7Very low54.1Low66 Ų66150.3 Ų150.368%0.6884%0.84SS**  cis-170.2149.80.700000105G135G133-G135 PolarHBondContact O-N 2.74Å; G133-G135 VanDerWaalsContact O-N 3.08Å
134R52Low54.3Low269 Ų269155 Ų155100%1.01584%0.841SS**  trans-62.4109.1170-62.7-179.3-175.7-142.11.9107.4
135G51.2Low54.2Low70 Ų70147.6 Ų147.672%0.72283%0.829SS**  trans-125.5110.2175.700000109.1G133 G137G133-G135 PolarHBondContact O-N 2.74Å; G133-G135 VanDerWaalsContact O-N 3.08Å; G135-G137 PolarHBondContact O-N 2.55Å
136Q53.2Low54.1Low205 Ų205149.6 Ų149.696%0.95883%0.829SS**  trans-58.2125172.8-64.6177.4100109.9
137G53.7Low53.6Low63 Ų63152 Ų15265%0.64983%0.831SS**  trans-107.1151.9168.100000110.5G135G135-G137 PolarHBondContact O-N 2.55Å
138P62.1Low52.9Low122 Ų122152.9 Ų152.979%0.79283%0.828SS**  trans-68.4135.5-157.128.3-34.2000112.9M140P138-M140 PolarHBondContact O-N 2.88Å
139R54.1Low52.7Low251 Ų251145.7 Ų145.795%0.94782%0.816SS**  trans-70.1119.4164.8-75.5-177.9168-174.1-3.8108.7
140M53.9Low52.5Low178 Ų178148.8 Ų148.888%0.87782%0.821SS**  trans-86.6114.5165.8-65.8-70.7-78.400108.2P138P138-M140 PolarHBondContact O-N 2.88Å
141A55.7Low52.4Low84 Ų84144.9 Ų144.969%0.69481%0.812SS**  trans-75154.2175.200000111.3T143A141-T143 PolarHBondContact O-N 2.94Å
142P62.9Low52Low120 Ų120140.2 Ų140.278%0.77981%0.806SS**  trans-74.5122.116912.20.3000109.9E144P142-E144 PolarHBondContact O-N 2.81Å
143T56.8Low52.1Low138 Ų138141.5 Ų141.585%0.84781%0.807SS**  trans-75.1108.9171.3-57.10000109.4A141A141-T143 PolarHBondContact O-N 2.94Å
144E52.6Low52.3Low178 Ų178146 Ų14683%0.83282%0.816SS**  trans-77.8139.8165-62.4175.9168.100110.2P142P142-E144 PolarHBondContact O-N 2.81Å
145S50.6Low52.3Low105 Ų105137.6 Ų137.673%0.73480%0.804SS**  trans175.1158.6144.948.40000110
146P47.2Very low52.2Low114 Ų114139.5 Ų139.574%0.7480%0.804SS**  cis-116.4147.8-27.610.212.1000111.3
147Q48.5Very low52Low190 Ų190141.6 Ų141.689%0.88880%0.803SS**  trans-65.2134.9165.7-61.2173.1-67.300109.3
148D47.1Very low51.9Low148 Ų148141.4 Ų141.479%0.79180%0.8SS**  trans-147.7120.3151.2-86.4-42.6000110.1
149S46.8Very low51.3Low101 Ų101142.5 Ų142.571%0.70681%0.807SS**  trans65.179.6147.7-43.90000117.2
150V48.3Very low51.1Low137 Ų137135.8 Ų135.883%0.8380%0.799SS**  8131.1102.9-103.10000115.5
151S49.7Very low51Low106 Ų106136 Ų13674%0.74180%0.795SS**  trans109.491.1166.6-45.30000113.5
152D44.7Very low50.9Low156 Ų156139.5 Ų139.583%0.83480%0.797SS**  -177.970.3127.1-87.2-15.9000109.9N154D152-N154 PolarHBondContact O-N 2.81Å
153L54.5Low50.7Low170 Ų170139.1 Ų139.189%0.8980%0.795SS**THydrogen-bonded Turntrans-76.692.2156.9-74.6148.9000107
154N53.8Low50.5Low161 Ų161144.2 Ų144.286%0.86180%0.798SS**THydrogen-bonded Turntrans151.538.8157.4-82.1-43000115.7D152 P156D152-N154 PolarHBondContact O-N 2.81Å; N154-P156 WeakPolarHBondContact O-CD 3.47Å
155A51.3Low50.2Low92 Ų92138.9 Ų138.976%0.7679%0.792SS**  trans-99.2113170.400000111.9
156P49.3Very low50.2Low111 Ų111140.2 Ų140.272%0.72180%0.8SS**  trans-87.2134.3175.732.8-30000112.3N154N154-P156 WeakPolarHBondContact O-CD 3.47Å
157R49.1Very low50.3Low249 Ų249137.7 Ų137.794%0.9479%0.794SS**  trans43.6101.1151.6-62.5-172.8176.5102.80.1118.7
158G51Low50.6Low58 Ų58141.1 Ų141.160%0.59880%0.799SS**  trans-142.8146.6141.400000108.8S160G158-S160 PolarHBondContact O-N 3.42Å
159P49Very low50.6Low145 Ų145137 Ų13794%0.94279%0.792SS**  trans-74.476.2173.931.7-30.1000107.8F161P159-F161 PolarHBondContact O-N 3.04Å
160S51.2Low50.9Low110 Ų110142.9 Ų142.977%0.76980%0.798SS**  trans-86.7103.4-177.9-166.90000108.8G158G158-S160 PolarHBondContact O-N 3.42Å
161F52Low50.7Low182 Ų182140.5 Ų140.580%0.79880%0.802SS**  trans44.8103146.3-142.9-98.8000116.5P159 P163P159-F161 PolarHBondContact O-N 3.04Å; F161-P163 WeakPolarHBondContact O-CD 3.39Å
162E53.5Low50.9Low159 Ų159145.9 Ų145.974%0.74381%0.806SS**  trans-50.8123163.7-68.8-173.9154.400110R164E162-R164 VanDerWaalsContact C-N 3.31Å; E162-R164 PolarHBondContact O-N 3.41Å
163P58.2Low50.9Low112 Ų112140.9 Ų140.973%0.72779%0.791SS**  trans-68.4106.2152.229.5-25.3000104.6F161 G165F161-P163 WeakPolarHBondContact O-CD 3.39Å; P163-G165 PolarHBondContact O-N 3.16Å
164R51.8Low50.7Low244 Ų244141.6 Ų141.692%0.92179%0.792SS**SBendtrans-53.485.2154.5-79.1177.3172.2140.6-3.1107.6E162E162-R164 VanDerWaalsContact C-N 3.31Å; E162-R164 PolarHBondContact O-N 3.41Å
165G46.3Very low50.3Low67 Ų67143.7 Ų143.769%0.69179%0.794SS**  trans-173.625.9-171.200000110.1P163 G167P163-G165 PolarHBondContact O-N 3.16Å; G165-G167 PolarHBondContact O-N 2.8Å
166C51.7Low50.2Low133 Ų133142.3 Ų142.390%0.89979%0.789SS**  trans-77.9107.6174.4-153.30000108.1
167G48.1Very low50.1Low61 Ų61149.3 Ų149.363%0.62980%0.801SS**  trans79.8117.6155.100000114.5G165 G169G165-G167 PolarHBondContact O-N 2.8Å; G167-G169 PolarHBondContact O-N 3.15Å
168R54.2Low50.1Low262 Ų262140.7 Ų140.799%0.98979%0.789SS**  trans-58.575.2139-68.6-175.9179.3-165.30.6107.5R170R168-R170 PolarHBondContact O-N 2.99Å
169G47.7Very low50Low62 Ų62150 Ų15064%0.63981%0.806SS**  trans-62.2117.117300000106.1G167 G171G167-G169 PolarHBondContact O-N 3.15Å; G169-G171 PolarHBondContact O-N 3.33Å
170R53.5Low49.7Very low223 Ų223146.3 Ų146.384%0.84280%0.795SS**  trans-45.3112.1168.4-62.7-179.8178.5-168.9-1.5106.9R168 R172R168-R170 PolarHBondContact O-N 2.99Å; R170-R172 PolarHBondContact O-N 3.02Å
171G44.8Very low49.9Very low88 Ų88149.8 Ų149.891%0.90780%0.801SS**  trans-62.581.1174.600000109.6G169G169-G171 PolarHBondContact O-N 3.33Å
172R53.8Low50Low218 Ų218145.9 Ų145.982%0.82379%0.794SS**  trans-121.1121.1165.7-72.2-172.5-178.2-112.8-2.4105.4R170R170-R172 PolarHBondContact O-N 3.02Å
173G44.6Very low49.5Very low51 Ų51147.7 Ų147.753%0.52680%0.8SS.*  trans93.951.3165.600000115.5F175G173-F175 PolarHBondContact O-N 3.27Å
174M50.2Low48.9Very low185 Ų185149.4 Ų149.491%0.91180%0.803SS**  trans-8694.8148.6-71.8-68.4106.500107.4G176M174-G176 PolarHBondContact O-N 2.96Å
175F44.5Very low48.6Very low205 Ų205140.8 Ų140.890%0.89978%0.78SS**  trans-62.976.5155.2-76.9-90.9000107.8G173 R177G173-F175 PolarHBondContact O-N 3.27Å; F175-R177 PolarHBondContact O-N 2.96Å
176G50Low48.9Very low63 Ų63146 Ų14665%0.64979%0.792SS**  trans-79.598.4173.500000108.9M174 G178M174-G176 PolarHBondContact O-N 2.96Å; G176-G178 VanDerWaalsContact C-N 3.26Å; G176-G178 PolarHBondContact O-N 2.82Å
177R47.6Very low49.2Very low258 Ų258149.6 Ų149.697%0.97479%0.787SS**  trans-59.194.1159.1-61.9-158.8-150.6-102.59.3107.8F175F175-R177 PolarHBondContact O-N 2.96Å
178G49.1Very low49.6Very low68 Ų68151.6 Ų151.670%0.70178%0.783SS**  trans-147.9103.8-174.300000109.9G176G176-G178 VanDerWaalsContact C-N 3.26Å; G176-G178 PolarHBondContact O-N 2.82Å
179R48.8Very low49.7Very low254 Ų254148.6 Ų148.696%0.95878%0.777SS**  trans-51.4133.1-179.2-59.9176.2-177.1-169.3-0.3111.5
180G42.9Very low50.2Low68 Ų68152.6 Ų152.670%0.70178%0.784SS**  trans70.4104.1146.900000116.5
181M53.6Low50.2Low182 Ų182147.7 Ų147.790%0.89778%0.775SS**  trans-122.9122.8143.7-88.5-62.4-174.900109
182P54.4Low50.5Low100 Ų100151.5 Ų151.565%0.64977%0.769SS**  trans-76.3146.6-174.630.5-32.7000112N184P182-N184 PolarHBondContact O-N 3.48Å
183F43.5Very low50.3Low197 Ų197148.8 Ų148.886%0.86477%0.771SS**  trans-65.878.2-174.8-63.6-91000113.8
184N44.9Very low50.1Low148 Ų148149.4 Ų149.479%0.79178%0.777SS**  trans-136.480.4174.5-64.435.1000111.5P182P182-N184 PolarHBondContact O-N 3.48Å
185S46.1Very low49.9Very low64 Ų64146 Ų14645%0.44877%0.769SS.*  trans-151.571.3159.558.90000112.2R187 D188S185-R187 PolarHBondContact O-N 3.24Å; S185-D188 VanDerWaalsContact CB-OD2 3.29Å; S185-D188 WeakPolarHBondContact CB-OD2 3.43Å; S185-D188 PolarHBondContact OG-OD2 2.87Å
186N53.8Low50.2Low176 Ų176143.1 Ų143.194%0.94176%0.763SS**THydrogen-bonded Turntrans-66.535.1151.9-76.66.5000111.6
187R56.8Low50.2Low209 Ų209152.4 Ų152.479%0.78978%0.778SS**THydrogen-bonded Turntrans-125.60.4-178-87.7-174.1-175.5159.21.8113.3S185 F189S185-R187 PolarHBondContact O-N 3.24Å; R187-F189 VanDerWaalsContact C-N 3.34Å
188D56.6Low50.2Low102 Ų102148.8 Ų148.855%0.54577%0.773SS.*THydrogen-bonded Turntrans-89.31.6-175.8-60.9-27.3000113.7S185S185-D188 VanDerWaalsContact CB-OD2 3.29Å; S185-D188 WeakPolarHBondContact CB-OD2 3.43Å; S185-D188 PolarHBondContact OG-OD2 2.87Å
189F55.8Low50.1Low199 Ų199148.6 Ų148.687%0.87377%0.771SS**THydrogen-bonded Turntrans-97-8.8179.8-80.6-81000115.1R187R187-F189 VanDerWaalsContact C-N 3.34Å
190D58.9Low50Low146 Ų146142.8 Ų142.878%0.78177%0.766SS**SBendtrans-109.712.5-178.2-80.1-30.7000113.9
191N54.1Low50.3Low121 Ų121149.7 Ų149.765%0.64777%0.771SS**SBendtrans-119.325.8-176.3-75.3-32.3000114.3
192Q51.3Low50.1Low168 Ų168149.8 Ų149.879%0.78577%0.769SS**  trans-131.334.5177.3-64.3-65-35.800113.1G194Q192-G194 PolarHBondContact O-N 2.92Å
193D49.1Very low49.9Very low160 Ų160154.6 Ų154.686%0.85678%0.775SS**  trans-64124.3147.4-83.4-40.5000107.5
194G40.5Very low49.9Very low64 Ų64149.2 Ų149.266%0.6678%0.776SS**SBendtrans-58.1-178-162.800000117.5Q192Q192-G194 PolarHBondContact O-N 2.92Å
195P46.6Very low50.2Low114 Ų114153.3 Ų153.374%0.7478%0.78SS**  cis-149.777.844.438.2-14.2000114.8
196D50.3Low50.3Low145 Ų145161.8 Ų161.878%0.77580%0.802SS**  trans-11152.7-170-69.6-16.5000115.4Q198D196-Q198 PolarHBondContact O-N 3.41Å
197R49.8Very low50.1Low257 Ų257160.6 Ų160.697%0.9780%0.796SS**  trans-74.438.8158.4-80.4-168.9178.7173.71112.2
198Q48.5Very low49.5Very low183 Ų183153.9 Ų153.986%0.85579%0.792SS**  trans-127.798.5173.8-69.2-1697.600110.4D196D196-Q198 PolarHBondContact O-N 3.41Å
199G46.1Very low49Very low64 Ų64155.4 Ų155.466%0.6680%0.8SS**  trans-155.3124.5163.400000108.5R201G199-R201 PolarHBondContact O-N 3.33Å; G199-R201 VanDerWaalsContact O-N 3.13Å
200P46.3Very low48.7Very low132 Ų132156.7 Ų156.786%0.85780%0.799SS**  trans-80105.3-161.331.3-32.9000110.8
201R49.3Very low48.3Very low213 Ų213157 Ų15780%0.80480%0.801SS**  trans-125.582.3156.8-78.4-174.2170.4-118.31.1108.9G199 Y203G199-R201 PolarHBondContact O-N 3.33Å; G199-R201 VanDerWaalsContact O-N 3.13Å; R201-Y203 PolarHBondContact O-N 3.1Å; R201-Y203 VanDerWaalsContact O-N 3.16Å
202Q49.8Very low48.1Very low184 Ų184156 Ų15686%0.8680%0.804SS**  trans-65.898.8154-70.4177.7-22.500108.2
203Y49.1Very low48.2Very low200 Ų200156.2 Ų156.278%0.78481%0.805SS**  trans-145.796.2150.7-69.4-80.7000103.1R201 R205R201-Y203 PolarHBondContact O-N 3.1Å; R201-Y203 VanDerWaalsContact O-N 3.16Å; Y203-R205 VanDerWaalsContact C-N 3.34Å; Y203-R205 PolarHBondContact O-N 3.27Å
204G44Very low48.2Very low85 Ų85157.1 Ų157.188%0.87681%0.809SS**  76.124.664.200000111.8
205R50.8Low48.8Very low234 Ų234159.3 Ų159.388%0.88381%0.81SS**  trans-117.5110161.7-74-149.3-171.2-94.53.1109.4Y203 D207Y203-R205 VanDerWaalsContact C-N 3.34Å; Y203-R205 PolarHBondContact O-N 3.27Å; R205-D207 PolarHBondContact O-N 3.05Å
206R49.8Very low49Very low241 Ų241161.4 Ų161.491%0.90982%0.815SS**  trans-8.9119.4164.7-77.7177.8-177.7-175.4-1.5113.4G208R206-G208 PolarHBondContact O-N 3.41Å
207D49.2Very low48.7Very low152 Ų152157.9 Ų157.981%0.81381%0.812SS**  trans-41.1108.1152.6-51.3-64.9000108.9R205 N209R205-D207 PolarHBondContact O-N 3.05Å; D207-N209 PolarHBondContact O-N 3.1Å
208G43.9Very low48.4Very low68 Ų68154.5 Ų154.570%0.70181%0.808SS**  trans-70.672.1163.300000108.1R206 W210R206-G208 PolarHBondContact O-N 3.41Å; G208-W210 PolarHBondContact O-N 3.17Å
209N45.7Very low48.3Very low134 Ų134152.6 Ų152.672%0.71781%0.808SS**  trans-57.398.2168177.827.9000109.1D207D207-N209 PolarHBondContact O-N 3.1Å
210W49.6Very low48.8Very low226 Ų226157.2 Ų157.286%0.85682%0.815SS**  trans-130.167.2165.2-74.988.2000108.2G208G208-W210 PolarHBondContact O-N 3.17Å
211N49.9Very low49.6Very low151 Ų151156.7 Ų156.781%0.80781%0.812SS**  trans-123.195.2152.4-94.1-11.7000108.1Q213N211-Q213 PolarHBondContact O-N 3.36Å
212S49.7Very low49.4Very low101 Ų101154.9 Ų154.971%0.70681%0.812SS**THydrogen-bonded Turntrans-71.492.9169.416.50000108.8
213Q53.3Low49.2Very low173 Ų173151.7 Ų151.781%0.80881%0.81SS**THydrogen-bonded Turntrans-173.3-2.8159.9-108.2155.934.400119.4N211 V215N211-Q213 PolarHBondContact O-N 3.36Å; Q213-V215 PolarHBondContact O-N 3.07Å
214D49.3Very low49.1Very low178 Ų178145.6 Ų145.695%0.95281%0.809SS**  trans-83.661.7173.9-67.1-21.3000111
215V54.6Low49Very low110 Ų110149.1 Ų149.167%0.66781%0.807SS**  trans-101.5126.3164.4173.70000105.1Q213Q213-V215 PolarHBondContact O-N 3.07Å
216D49.5Very low49Very low159 Ų159143.1 Ų143.185%0.8580%0.801SS**  trans79.1117.8171-48.9-32000117.5
217G44.3Very low48.9Very low70 Ų70140.5 Ų140.572%0.72280%0.799SS**  trans153.95115800000117.3T219G217-T219 PolarHBondContact O-N 3.43Å
218Q44.4Very low48.8Very low187 Ų187141.8 Ų141.887%0.87480%0.8SS**  trans7.6109.4147.8-58-177-7.800117.1
219T46.9Very low48.8Very low142 Ų142145 Ų14587%0.87181%0.806SS**  trans-97102.8153.940.30000108.9G217G217-T219 PolarHBondContact O-N 3.43Å
220M54.7Low49.1Very low162 Ų162143.1 Ų143.180%0.79880%0.799SS**  trans-82129.7162-74.9-74.8-78.300108.9
221P63.6Low48.9Very low121 Ų121143.1 Ų143.179%0.78680%0.799SS**  trans-90.1111.4154.431.1-24000108.9
222E46.2Very low48.9Very low174 Ų174144.7 Ų144.781%0.81380%0.799SS**  trans-85.7139.9168.4-165.2179.9179.400109.3
223S45.3Very low48.8Very low117 Ų117144.3 Ų144.382%0.81880%0.802SS**  trans98.4118.7159.8-41.90000118.2
224G46.4Very low48.4Very low73 Ų73142.5 Ų142.575%0.75380%0.798SS**  trans129.968.8158.500000113.6
225D41.5Very low48.4Very low159 Ų159141.4 Ų141.485%0.8579%0.792SS**  90.2150.696.3-159.310.3000112.7
226S50.9Low48.2Very low108 Ų108146.3 Ų146.376%0.75580%0.799SS**  trans74.690.2-17564.30000118.6
227E48Very low48.2Very low186 Ų186146.6 Ų146.687%0.86980%0.8SS**  trans-30.6138.3142.1-53.2170.1150.500112.6
228Q46.9Very low48.4Very low178 Ų178151.8 Ų151.883%0.83281%0.806SS**  -176.8104.5128.6-71.2-144.136.800108.7
229V44Very low49Very low135 Ų135148.2 Ų148.282%0.81880%0.796SS**  trans-79.3117.2162.2171.30000107.2
230V51.6Low49.3Very low95 Ų95149.4 Ų149.458%0.57679%0.792SS**  trans-135.1113.9165.9177.90000108.9F232V230-F232 HydrophobicContact CG1-CD2 3.39Å; V230-F232 HydrophobicContact CG1-CE2 3.15Å; V230-F232 HydrophobicContact CG1-CZ 4.13Å
231R45.8Very low49Very low227 Ų227149 Ų14986%0.85779%0.793SS**  trans-95.8131.4169.8-68.4178.6169.2-143.9-1.3108.6
232F50Low48.4Very low184 Ų184151.5 Ų151.581%0.80779%0.794SS**  trans-142.5104.6159.2-70-70.2000105.8V230V230-F232 HydrophobicContact CG1-CD2 3.39Å; V230-F232 HydrophobicContact CG1-CE2 3.15Å; V230-F232 HydrophobicContact CG1-CZ 4.13Å
233A48Very low48.8Very low92 Ų92147.6 Ų147.676%0.7678%0.784SS**  61.498.792.700000111.6
234D44.4Very low49Very low136 Ų136149.2 Ų149.273%0.72778%0.778SS**  63.7124.593.1-104.8-14.4000113.7
235D48.9Very low49Very low155 Ų155153.3 Ų153.383%0.82978%0.778SS**  trans154.284.8156.1-78-17.4000109.2
236R51.3Low49.3Very low213 Ų213149.9 Ų149.980%0.80477%0.772SS**  43.7106.893-62.3-171.8-169.4172.45.5115.5
237N48.5Very low49.1Very low165 Ų165150.2 Ų150.288%0.88277%0.769SS**  -173.9138.7116.4-102.7-10000112.9
238E49.6Very low48.8Very low179 Ų179148.3 Ų148.384%0.83677%0.765SS**  trans-71.6176.7176.3-59.8174.215500112.2
239V57.4Low48.6Very low112 Ų112148.3 Ų148.368%0.67976%0.762SS**  trans135.9110.1138.8174.10000113.6
240E52.8Low48.7Very low166 Ų166149.7 Ų149.778%0.77677%0.765SS**  trans52.3138.8138.2-66.1156.5172.800119
241D47.7Very low48.3Very low154 Ų154150.6 Ų150.682%0.82477%0.766SS**  cis-168.7160.142-126.4-21.7000111
242Q52.2Low48.3Very low174 Ų174148.8 Ų148.881%0.81377%0.767SS**  trans-93.3-144.3-165.8-66.1-136.5-32.500117
243P54.1Low48Very low92 Ų92145.8 Ų145.860%0.59776%0.759SS**  -136.8-144.6-10145.5-23.6000114.2
244E49.7Very low47.9Very low150 Ų150148.5 Ų148.570%0.70176%0.761SS**  trans91.2133.9164-42.9-170.5-178.800116.7
245H46.3Very low48.2Very low160 Ų160147.1 Ų147.174%0.74176%0.761SS**  cis-151.1138.937.5-57.1-84.9000109.1
246A47.4Very low48.3Very low87 Ų87146.8 Ų146.872%0.71976%0.759SS**  54125.364.500000111.2
247T47Very low48.3Very low115 Ų115143.3 Ų143.371%0.70676%0.755SS**  cis-179.2142.544.547.20000109.2
248N41.6Very low48.5Very low145 Ų145144.3 Ų144.378%0.77575%0.748SS**  147.8109115.8-78.5-25.6000106.2
249F42.8Very low48.6Very low179 Ų179144.1 Ų144.179%0.78574%0.741SS**  42.9105.466.4-81.1-80.3000114.5
250D45.2Very low48.1Very low164 Ų164142.8 Ų142.888%0.87774%0.736SS**  -161.3125.3120.1-98.7-21.8000111.5
251I43.6Very low48.1Very low114 Ų114141.9 Ų141.959%0.58574%0.735SS**  trans-95.6132.3175.1-68.3162.3000105.8
252H46.6Very low48.4Very low189 Ų189147 Ų14788%0.87576%0.757SS**  trans-144.494.5152.3-100.5-60000109.7
253D43.7Very low48.2Very low120 Ų120145.6 Ų145.664%0.64276%0.755SS**  trans-56.1168.6147.4-74.3-50.6000110.7
254D44.6Very low47.9Very low150 Ų150148.4 Ų148.480%0.80276%0.763SS**  trans85.698.8161.2-53.7-28.8000117.7
255S51Low47.8Very low106 Ų106148.3 Ų148.374%0.74177%0.766SS**  175.7106.9118.237.60000108.4
256L52Low47.9Very low149 Ų149147.6 Ų147.678%0.7877%0.768SS**  63.510593.4-65.7168.2000111.1
257L50.2Low48Very low139 Ų139151.4 Ų151.473%0.72877%0.771SS**  58.590.586.5-146.9161.3000109.7
258Y52.5Low48Very low186 Ų186153.9 Ų153.973%0.72978%0.775SS**  trans178.9108.9141.5-119.2-118000106.9
259Y52.9Low48.5Very low176 Ų176154.5 Ų154.569%0.6978%0.775SS**  82.514396.7-107.4-96.1000112.4
260S46.4Very low48.9Very low83 Ų83152.6 Ų152.658%0.5878%0.775SS**  trans90.8113.6139-92.20000118.1
261I52.3Low49.2Very low147 Ų147151.7 Ų151.775%0.75477%0.766SS**  82.394.4127.3-57.3161.6000113.5
262M55Low49.7Very low261 Ų261155.1 Ų155.1100%1.28678%0.783SS**  -160.5089.7-82-153.7-166.100110.9

Retrieved 262 of 262 residues in 27.2 ms (Link to these results)