Q15ET2_SCHMA Loading...

Large ribosomal subunit protein eL36

AlphaFold DB , UniProt , Accession Q15ET2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 102 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
1M45.4Very low68.8Low230 Ų230138.9 Ų138.9100%1.13371%0.706SS**  0108.70-84.4159.1148.300108.7H3M1-H3 PolarHBondContact O-N 3.47Å; M1-H3 PolarHBondContact O-ND1 3.45Å; M1-H3 VanDerWaalsContact O-ND1 3.11Å
2S40.8Very low70.3Confident100 Ų100131.8 Ų131.870%0.69969%0.694SS**  trans-54.9116.3-170.353.90000112.3I4S2-I4 PolarHBondContact O-N 3.48Å
3H56Low71.6Confident190 Ų190141.7 Ų141.788%0.8872%0.716SS**  trans-74.665.5169.1-71.840.5000109.3M1 R5M1-H3 PolarHBondContact O-N 3.47Å; M1-H3 PolarHBondContact O-ND1 3.45Å; M1-H3 VanDerWaalsContact O-ND1 3.11Å; H3-R5 PolarHBondContact O-N 3.29Å; H3-R5 VanDerWaalsContact O-N 3.15Å
4I63.1Low72.6Confident126 Ų126140.1 Ų140.165%0.64671%0.705SS**  trans-67.2115.4170.8-64.4166.9000106.1S2 K6S2-I4 PolarHBondContact O-N 3.48Å; I4-K6 VanDerWaalsContact C-N 3.3Å; I4-K6 PolarHBondContact O-N 3.08Å
5R57.5Low73.6Confident214 Ų214139.9 Ų139.981%0.80870%0.697SS**  trans-57.495.5169.7-80.1-179.4169.8170.8-2.7107.9H3 Y7H3-R5 PolarHBondContact O-N 3.29Å; H3-R5 VanDerWaalsContact O-N 3.15Å; R5-Y7 WeakPolarHBondContact O-CD2 3.44Å; R5-Y7 PolarHBondContact O-N 2.99Å; R5-Y7 VanDerWaalsContact O-N 3.08Å
6K70.2Confident74.5Confident110 Ų110133.6 Ų133.648%0.47868%0.679SS.*  trans-70.6104.1178-68.5-178.2-179.4167.70108.7I4 E14 K18I4-K6 VanDerWaalsContact C-N 3.3Å; I4-K6 PolarHBondContact O-N 3.08Å; K6-E14 WeakPolarHBondContact CD-OE2 3.36Å; K6-E14 WeakPolarHBondContact CE-OE2 3.42Å; K6-E14 IonicContact NZ-OE1 2.74Å; K6-E14 PolarHBondContact NZ-OE1 3.45Å; K6-E14 IonicContact NZ-OE2 2.74Å; K6-E14 PolarHBondContact NZ-OE2 3.22Å; K6-K18 WeakPolarHBondContact O-CE 3.49Å; K6-K18 PolarHBondContact O-NZ 2.98Å
7Y77.6Confident75.2Confident175 Ų175132.8 Ų132.869%0.68668%0.676SS**  trans-62.6148.7167.9-66.4-84.3000110R5 V9R5-Y7 WeakPolarHBondContact O-CD2 3.44Å; R5-Y7 PolarHBondContact O-N 2.99Å; R5-Y7 VanDerWaalsContact O-N 3.08Å; Y7-V9 PolarHBondContact O-N 3.19Å
8P83Confident75.7Confident77 Ų77133.1 Ų133.150%0.567%0.672SS.*  trans-61.6113.1169.826.7-32.1000108.4
9V86.1Confident76.3Confident72 Ų72136.4 Ų136.444%0.43668%0.675SS.*  trans-107.9151.4178.6-71.30000109.9Y7 V11 K15 G16Y7-V9 PolarHBondContact O-N 3.19Å; V9-V11 VanDerWaalsContact C-N 3.29Å; V9-V11 WeakPolarHBondContact CG2-O 3.33Å; V9-K15 CarbonylContact O-C 3.57Å; V9-K15 WeakPolarHBondContact O-CA 3.48Å; V9-K15 VanDerWaalsContact O-CB 3.3Å; V9-K15 WeakPolarHBondContact O-CB 3.36Å; V9-G16 PolarHBondContact O-N 3.14Å
10C87.4Confident77Confident121 Ų121137 Ų13782%0.81869%0.687SS**SBendtrans-81.1-10.2180-59.60000113.2K15C10-K15 WeakPolarHBondContact O-CD 3.28Å
11V89.6Confident77.7Confident113 Ų113137.4 Ų137.469%0.68569%0.692SS**SBendtrans-130.2157.5-174.7-63.10000111.8V9V9-V11 VanDerWaalsContact C-N 3.29Å; V9-V11 WeakPolarHBondContact CG2-O 3.33Å
12G87Confident79.8Confident54 Ų54132.5 Ų132.556%0.55767%0.67SS**SBendtrans95.8-179.3-179.100000114.8K15G12-K15 WeakPolarHBondContact O-CB 3.48Å; G12-K15 WeakPolarHBondContact O-CD 3.49Å; G12-K15 VanDerWaalsContact O-CG 3.27Å; G12-K15 WeakPolarHBondContact O-CG 3.31Å
13R87.4Confident82.2Confident260 Ų260135.4 Ų135.498%0.98168%0.676SS**THydrogen-bonded Turntrans-68.5-36.3-175.1-72.1-178.8170.1175.5-2.4113.4
14E85Confident84Confident120 Ų120135.7 Ų135.756%0.56167%0.669SS**THydrogen-bonded Turntrans-102.633.9-179.4-65.9178.7-159.500112.3K6K6-E14 WeakPolarHBondContact CD-OE2 3.36Å; K6-E14 WeakPolarHBondContact CE-OE2 3.42Å; K6-E14 IonicContact NZ-OE1 2.74Å; K6-E14 PolarHBondContact NZ-OE1 3.45Å; K6-E14 IonicContact NZ-OE2 2.74Å; K6-E14 PolarHBondContact NZ-OE2 3.22Å
15K87.3Confident85.4Confident136 Ų136135.5 Ų135.559%0.59168%0.676SS**  trans-71.1161.6179.866.7-179177.11760112.8V9 C10 G12V9-K15 CarbonylContact O-C 3.57Å; V9-K15 WeakPolarHBondContact O-CA 3.48Å; V9-K15 VanDerWaalsContact O-CB 3.3Å; V9-K15 WeakPolarHBondContact O-CB 3.36Å; C10-K15 WeakPolarHBondContact O-CD 3.28Å; G12-K15 WeakPolarHBondContact O-CB 3.48Å; G12-K15 WeakPolarHBondContact O-CD 3.49Å; G12-K15 VanDerWaalsContact O-CG 3.27Å; G12-K15 WeakPolarHBondContact O-CG 3.31Å
16G88Confident87.1Confident39 Ų39133.9 Ų133.940%0.40268%0.675SS.*SBendtrans97.8173.8174.500000113.4V9 K18V9-G16 PolarHBondContact O-N 3.14Å; G16-K18 PolarHBondContact O-N 3.34Å
17L87.6Confident88.3Confident121 Ų121135.6 Ų135.663%0.63468%0.682SS**  trans-72125.9179.7-170.966.1000109.8R19L17-R19 HydrophobicContact CB-CG 4.46Å; L17-R19 HydrophobicContact CD2-CG 4.16Å; L17-R19 HydrophobicContact CG-CG 4.22Å; L17-R19 PolarHBondContact O-N 3.08Å
18K84Confident89.1Confident138 Ų138132.2 Ų132.260%0.668%0.682SS**  trans-64.8104.5171.9-67.1178.7174.1178.60108.9K6 G16K6-K18 WeakPolarHBondContact O-CE 3.49Å; K6-K18 PolarHBondContact O-NZ 2.98Å; G16-K18 PolarHBondContact O-N 3.34Å
19R86.5Confident89.7Confident196 Ų196132.6 Ų132.674%0.7469%0.686SS**  trans-117.2145.3174.9-65.8-176179.5-167.8-3.8109.3L17 N21L17-R19 HydrophobicContact CB-CG 4.46Å; L17-R19 HydrophobicContact CD2-CG 4.16Å; L17-R19 HydrophobicContact CG-CG 4.22Å; L17-R19 PolarHBondContact O-N 3.08Å; R19-N21 PolarHBondContact O-N 2.91Å
20T91Very high90.1Very high147 Ų147134.9 Ų134.990%0.90270%0.696SS**  trans-69.4120.6168.7-51.40000108.8N22T20-N22 PolarHBondContact O-N 3.34Å
21N90.1Very high90.3Very high147 Ų147137.1 Ų137.179%0.78669%0.687SS**  trans-72127.6-179.2-73.2-33000111.1R19R19-N21 PolarHBondContact O-N 2.91Å
22N91Very high90.5Very high126 Ų126143 Ų14367%0.67470%0.697SS**  trans-85.3114.1170.4-177.8-1.7000110.2T20 R24T20-N22 PolarHBondContact O-N 3.34Å; N22-R24 PolarHBondContact O-N 3.4Å; N22-R24 VanDerWaalsContact O-N 3.15Å
23I91.6Very high90.7Very high161 Ų161144.3 Ų144.383%0.82671%0.711SS**  trans-80.296178.6-51.9176.6000109.2
24R92.7Very high91Very high197 Ų197141.6 Ų141.674%0.74370%0.7SS**PPolyproline II helixtrans-79.3147.6176.8-61.8-178.6-176.9-175.40.1111.6N22N22-R24 PolarHBondContact O-N 3.4Å; N22-R24 VanDerWaalsContact O-N 3.15Å
25P92.5Very high91.5Very high121 Ų121140.3 Ų140.379%0.78670%0.697SS**PPolyproline II helixtrans-60.6144.3171.726.4-34.1000110.8K27P25-K27 PolarHBondContact O-N 3.43Å
26K93.4Very high91.9Very high181 Ų181137.6 Ų137.679%0.78769%0.691SS**PPolyproline II helixtrans-65.1125.7178.6-67.7-179-178.4176.30110
27K95.2Very high92.3Very high145 Ų145145.1 Ų145.163%0.6371%0.713SS**PPolyproline II helixtrans-55.5138.6177.8-65.6-174.5177.1-175.50111.3P25 S29 N30P25-K27 PolarHBondContact O-N 3.43Å; K27-S29 PolarHBondContact O-N 2.96Å; K27-N30 WeakPolarHBondContact O-CB 3.39Å; K27-N30 PolarHBondContact O-N 3.4Å
28P94.4Very high92.8Very high104 Ų104147.2 Ų147.268%0.67572%0.72SS**G310 helixtrans-56.1-33.5175.7-27.235.2000113.8N30 R31P28-N30 PolarHBondContact O-N 2.85Å; P28-N30 VanDerWaalsContact O-N 3.16Å; P28-R31 VanDerWaalsContact O-CB 3.31Å; P28-R31 WeakPolarHBondContact O-CB 3.44Å; P28-R31 PolarHBondContact O-N 3.22Å
29S95.8Very high93.3Very high85 Ų85142 Ų14259%0.59470%0.702SS**G310 helixtrans-56.3-30.2176.4560000113.4K27 R31 R32K27-S29 PolarHBondContact O-N 2.96Å; S29-R31 PolarHBondContact O-N 3.01Å; S29-R32 WeakPolarHBondContact O-CB 3.44Å; S29-R32 PolarHBondContact O-N 3.23Å
30N94.3Very high93.8Very high120 Ų120139.2 Ų139.264%0.64270%0.696SS**G310 helixtrans-71.3-11.9177.3-63-13.1000113K27 P28 R32K27-N30 WeakPolarHBondContact O-CB 3.39Å; K27-N30 PolarHBondContact O-N 3.4Å; P28-N30 PolarHBondContact O-N 2.85Å; P28-N30 VanDerWaalsContact O-N 3.16Å; N30-R32 VanDerWaalsContact C-N 3.33Å
31R92.1Very high94.1Very high169 Ų169138.6 Ų138.664%0.63868%0.681SS**G310 helixtrans-84.2-5.9176.8-57.5-175.7-172-175.73.2113P28 S29 G33 R34P28-R31 VanDerWaalsContact O-CB 3.31Å; P28-R31 WeakPolarHBondContact O-CB 3.44Å; P28-R31 PolarHBondContact O-N 3.22Å; S29-R31 PolarHBondContact O-N 3.01Å; R31-G33 PolarHBondContact O-N 3.48Å; R31-R34 WeakPolarHBondContact O-CB 3.48Å; R31-R34 PolarHBondContact O-N 2.93Å
32R93.8Very high94.4Very high237 Ų237133.8 Ų133.889%0.89466%0.662SS**THydrogen-bonded Turntrans-56.5129.4-180-172.6179.1-178.7-171.71.4110.4S29 N30S29-R32 WeakPolarHBondContact O-CB 3.44Å; S29-R32 PolarHBondContact O-N 3.23Å; N30-R32 VanDerWaalsContact C-N 3.33Å
33G91.5Very high94.7Very high81 Ų81135.7 Ų135.784%0.83566%0.659SS**THydrogen-bonded Turntrans93.8-3.6179.400000115.4R31R31-G33 PolarHBondContact O-N 3.48Å
34R93.8Very high94.8Very high203 Ų203131 Ų13177%0.76664%0.641SS**PPolyproline II helixtrans-65.6138170.1-170.3177.6-178.6-172.52110.4R31 T36R31-R34 WeakPolarHBondContact O-CB 3.48Å; R31-R34 PolarHBondContact O-N 2.93Å; R34-T36 PolarHBondContact O-N 2.95Å
35L94.3Very high95Very high92 Ų92125.2 Ų125.248%0.48262%0.624SS.*PPolyproline II helixtrans-72.6121.3176.2-173.567000110.4A39 K40L35-A39 HydrophobicContact CD1-CB 4.44Å; L35-K40 HydrophobicContact CD1-CB 4.14Å; L35-K40 HydrophobicContact CD2-CB 4Å; L35-K40 HydrophobicContact CD2-CD 4.16Å; L35-K40 HydrophobicContact CD2-CG 4.08Å; L35-K40 HydrophobicContact CG-CB 4.04Å
36T96.3Very high95.2Very high79 Ų79124.5 Ų124.549%0.48561%0.613SS.*PPolyproline II helixtrans-90.6160.2172.363.40000110.9R34 Q38 A39 K40R34-T36 PolarHBondContact O-N 2.95Å; T36-Q38 PolarHBondContact O-N 2.93Å; T36-A39 PolarHBondContact O-N 3.27Å; T36-A39 WeakPolarHBondContact OG1-CB 3.5Å; T36-A39 PolarHBondContact OG1-N 3.22Å; T36-K40 WeakPolarHBondContact O-CB 3.41Å; T36-K40 PolarHBondContact O-N 3.33Å
37K96.8Very high95.2Very high197 Ų197119 Ų11986%0.85759%0.587SS**Hα-helixtrans-58.6-48.1179-68.5-175.9179-178.40111.7K40 F41K37-K40 WeakPolarHBondContact O-CB 3.49Å; K37-K40 PolarHBondContact O-N 3.31Å; K37-F41 PolarHBondContact O-N 3.25Å; K37-F41 VanDerWaalsContact O-N 3.08Å
38Q96.8Very high95.2Very high165 Ų165119.8 Ų119.877%0.77159%0.593SS**Hα-helixtrans-61-46.4177.4-70.9171.9-25.500112.2T36 K40 F41 A42T36-Q38 PolarHBondContact O-N 2.93Å; Q38-K40 VanDerWaalsContact C-N 3.3Å; Q38-K40 PolarHBondContact O-N 3.43Å; Q38-F41 PolarHBondContact O-N 3.14Å; Q38-A42 PolarHBondContact O-N 3.06Å
39A96.3Very high95.3Very high29 Ų29121 Ų12124%0.2460%0.598CS.*Hα-helixtrans-65.9-33.1178.900000112.5L35 T36 R43L35-A39 HydrophobicContact CD1-CB 4.44Å; T36-A39 PolarHBondContact O-N 3.27Å; T36-A39 WeakPolarHBondContact OG1-CB 3.5Å; T36-A39 PolarHBondContact OG1-N 3.22Å; A39-R43 WeakPolarHBondContact O-CB 3.32Å; A39-R43 WeakPolarHBondContact O-CD 3.42Å; A39-R43 WeakPolarHBondContact O-CG 3.39Å; A39-R43 PolarHBondContact O-N 2.91Å; A39-R43 VanDerWaalsContact O-N 3.1Å
40K96.2Very high95.3Very high138 Ų138122.3 Ų122.360%0.660%0.602SS**Hα-helixtrans-63-48.5173.5-176.5178.8177.3-1740110.8L35 T36 K37 Q38 R43 S44L35-K40 HydrophobicContact CD1-CB 4.14Å; L35-K40 HydrophobicContact CD2-CB 4Å; L35-K40 HydrophobicContact CD2-CD 4.16Å; L35-K40 HydrophobicContact CD2-CG 4.08Å; L35-K40 HydrophobicContact CG-CB 4.04Å; T36-K40 WeakPolarHBondContact O-CB 3.41Å; T36-K40 PolarHBondContact O-N 3.33Å; K37-K40 WeakPolarHBondContact O-CB 3.49Å; K37-K40 PolarHBondContact O-N 3.31Å; Q38-K40 VanDerWaalsContact C-N 3.3Å; Q38-K40 PolarHBondContact O-N 3.43Å; K40-R43 PolarHBondContact O-N 3.41Å; K40-S44 PolarHBondContact O-N 2.9Å; K40-S44 PolarHBondContact O-OG 3.41Å
41F97Very high95.3Very high134 Ų134117.9 Ų117.959%0.58858%0.584SS**Hα-helixtrans-61.6-49.1179.7178.7-109.2000112.3K37 Q38 R43 S44 L45K37-F41 PolarHBondContact O-N 3.25Å; K37-F41 VanDerWaalsContact O-N 3.08Å; Q38-F41 PolarHBondContact O-N 3.14Å; F41-R43 VanDerWaalsContact C-N 3.31Å; F41-R43 PolarHBondContact O-N 2.91Å; F41-S44 PolarHBondContact O-N 2.95Å; F41-S44 PolarHBondContact O-OG 2.95Å; F41-L45 HydrophobicContact CD1-CD1 3.98Å; F41-L45 HydrophobicContact CE1-CD1 3.42Å; F41-L45 VanDerWaalsContact CE1-CD1 3.42Å; F41-L45 HydrophobicContact CE1-CG 4.34Å; F41-L45 HydrophobicContact CE2-CD1 4.09Å; F41-L45 HydrophobicContact CE2-CD2 4.39Å; F41-L45 HydrophobicContact CE2-CG 4.22Å; F41-L45 HydrophobicContact CZ-CD1 3.5Å; F41-L45 VanDerWaalsContact CZ-CD1 3.5Å; F41-L45 HydrophobicContact CZ-CD2 4.39Å; F41-L45 HydrophobicContact CZ-CG 4.12Å; F41-L45 WeakPolarHBondContact O-CG 3.42Å; F41-L45 PolarHBondContact O-N 3.22Å
42A97.1Very high95.4Very high46 Ų46112.2 Ų112.238%0.3857%0.565SS.*Hα-helixtrans-59.3-4217700000112.2Q38 L45 I46Q38-A42 PolarHBondContact O-N 3.06Å; A42-L45 PolarHBondContact O-N 3.26Å; A42-I46 WeakPolarHBondContact O-CD1 3.3Å; A42-I46 VanDerWaalsContact O-CG1 3.27Å; A42-I46 WeakPolarHBondContact O-CG1 3.5Å; A42-I46 PolarHBondContact O-N 2.87Å
43R96Very high95.5Very high166 Ų166102.6 Ų102.663%0.62654%0.536SS*.Hα-helixtrans-67.3-36.8178.4-73.1173.2-170.8-175.14.4113.2A39 K40 F41 R47A39-R43 WeakPolarHBondContact O-CB 3.32Å; A39-R43 WeakPolarHBondContact O-CD 3.42Å; A39-R43 WeakPolarHBondContact O-CG 3.39Å; A39-R43 PolarHBondContact O-N 2.91Å; A39-R43 VanDerWaalsContact O-N 3.1Å; K40-R43 PolarHBondContact O-N 3.41Å; F41-R43 VanDerWaalsContact C-N 3.31Å; F41-R43 PolarHBondContact O-N 2.91Å; R43-R47 WeakPolarHBondContact O-CB 3.4Å; R43-R47 PolarHBondContact O-N 3.23Å; R43-R47 VanDerWaalsContact O-N 3.13Å
44S94.5Very high95.7Very high62 Ų62104 Ų10443%0.43453%0.53SS..Hα-helixtrans-67.7-43.5176.550.80000111.5K40 F41 R47 E48K40-S44 PolarHBondContact O-N 2.9Å; K40-S44 PolarHBondContact O-OG 3.41Å; F41-S44 PolarHBondContact O-N 2.95Å; F41-S44 PolarHBondContact O-OG 2.95Å; S44-R47 PolarHBondContact O-N 3.36Å; S44-E48 PolarHBondContact O-N 3.33Å; S44-E48 VanDerWaalsContact O-N 3.09Å
45L96.6Very high95.8Very high75 Ų7596.8 Ų96.839%0.39350%0.504SS..Hα-helixtrans-60.3-48.2176.7-71.3179.3000111.9F41 A42 R47 E48 V49F41-L45 HydrophobicContact CD1-CD1 3.98Å; F41-L45 HydrophobicContact CE1-CD1 3.42Å; F41-L45 VanDerWaalsContact CE1-CD1 3.42Å; F41-L45 HydrophobicContact CE1-CG 4.34Å; F41-L45 HydrophobicContact CE2-CD1 4.09Å; F41-L45 HydrophobicContact CE2-CD2 4.39Å; F41-L45 HydrophobicContact CE2-CG 4.22Å; F41-L45 HydrophobicContact CZ-CD1 3.5Å; F41-L45 VanDerWaalsContact CZ-CD1 3.5Å; F41-L45 HydrophobicContact CZ-CD2 4.39Å; F41-L45 HydrophobicContact CZ-CG 4.12Å; F41-L45 WeakPolarHBondContact O-CG 3.42Å; F41-L45 PolarHBondContact O-N 3.22Å; A42-L45 PolarHBondContact O-N 3.26Å; L45-R47 VanDerWaalsContact C-N 3.26Å; L45-R47 PolarHBondContact O-N 2.66Å; L45-E48 WeakPolarHBondContact O-CB 3.3Å; L45-E48 PolarHBondContact O-N 3.49Å; L45-E48 VanDerWaalsContact O-N 3.14Å; L45-V49 WeakPolarHBondContact O-CG2 3.45Å; L45-V49 PolarHBondContact O-N 3.35Å
46I96.5Very high95.8Very high107 Ų10792.9 Ų92.955%0.54948%0.484SS..Hα-helixtrans-61.2-37.7178.7-67.2166000111.1A42 E48 V49 V50A42-I46 WeakPolarHBondContact O-CD1 3.3Å; A42-I46 VanDerWaalsContact O-CG1 3.27Å; A42-I46 WeakPolarHBondContact O-CG1 3.5Å; A42-I46 PolarHBondContact O-N 2.87Å; I46-E48 VanDerWaalsContact C-N 3.3Å; I46-E48 PolarHBondContact O-N 3.33Å; I46-V49 PolarHBondContact O-N 2.84Å; I46-V50 HydrophobicContact CG2-CG2 4.01Å; I46-V50 WeakPolarHBondContact O-CB 3.34Å; I46-V50 WeakPolarHBondContact O-CG2 3.37Å; I46-V50 PolarHBondContact O-N 3.09Å
47R94.5Very high95.8Very high66 Ų6694.8 Ų94.825%0.24949%0.485CS..Hα-helixtrans-66.1-34.1178.6-17655.2147.1-172-12.9112.3R43 S44 L45 G51 F52 E56 E91R43-R47 WeakPolarHBondContact O-CB 3.4Å; R43-R47 PolarHBondContact O-N 3.23Å; R43-R47 VanDerWaalsContact O-N 3.13Å; S44-R47 PolarHBondContact O-N 3.36Å; L45-R47 VanDerWaalsContact C-N 3.26Å; L45-R47 PolarHBondContact O-N 2.66Å; R47-G51 WeakPolarHBondContact CD-O 3.49Å; R47-G51 PolarHBondContact NH1-O 3.49Å; R47-G51 WeakPolarHBondContact O-CA 3.38Å; R47-G51 PolarHBondContact O-N 3.1Å; R47-F52 VanDerWaalsContact NH2-CD1 3.31Å; R47-F52 VanDerWaalsContact NH2-CE1 3.31Å; R47-E56 IonicContact CZ-OE1 3.8Å; R47-E56 IonicContact CZ-OE2 3.86Å; R47-E56 IonicContact NH1-OE1 2.78Å; R47-E56 IonicContact NH1-OE2 3.01Å; R47-E56 PolarHBondContact NH1-OE2 3.37Å; R47-E56 IonicContact NH2-OE1 3.77Å; R47-E56 PolarHBondContact NH2-OE1 3.17Å; R47-E56 IonicContact NH2-OE2 2.75Å; R47-E56 PolarHBondContact NH2-OE2 2.87Å; R47-E91 IonicContact NH2-OE1 2.93Å; R47-E91 PolarHBondContact NH2-OE1 2.83Å
48E93.8Very high95.7Very high160 Ų16090.1 Ų90.175%0.74846%0.463SS*.Hα-helixtrans-69.8-45.2175-174.3173.4179.500111.6S44 L45 I46S44-E48 PolarHBondContact O-N 3.33Å; S44-E48 VanDerWaalsContact O-N 3.09Å; L45-E48 WeakPolarHBondContact O-CB 3.3Å; L45-E48 PolarHBondContact O-N 3.49Å; L45-E48 VanDerWaalsContact O-N 3.14Å; I46-E48 VanDerWaalsContact C-N 3.3Å; I46-E48 PolarHBondContact O-N 3.33Å
49V97.4Very high95.7Very high129 Ų12982.3 Ų82.378%0.78243%0.426SS*.Hα-helixtrans-69.9-46.6-178.91760000112.6L45 I46L45-V49 WeakPolarHBondContact O-CG2 3.45Å; L45-V49 PolarHBondContact O-N 3.35Å; I46-V49 PolarHBondContact O-N 2.84Å
50V96.6Very high95.6Very high114 Ų11481.7 Ų81.769%0.69142%0.418SS*.Hα-helixtrans-88.9-29.7-172.7-178.50000112.5I46I46-V50 HydrophobicContact CG2-CG2 4.01Å; I46-V50 WeakPolarHBondContact O-CB 3.34Å; I46-V50 WeakPolarHBondContact O-CG2 3.37Å; I46-V50 PolarHBondContact O-N 3.09Å
51G93.6Very high95.5Very high26 Ų2680.5 Ų80.527%0.26842%0.415SS..  trans77.1-146.3-17800000115.2R47R47-G51 WeakPolarHBondContact CD-O 3.49Å; R47-G51 PolarHBondContact NH1-O 3.49Å; R47-G51 WeakPolarHBondContact O-CA 3.38Å; R47-G51 PolarHBondContact O-N 3.1Å
52F94.8Very high95.5Very high50 Ų5074.9 Ų74.922%0.21939%0.391CS..  trans-106.2139.6-173.7-65.5-78000112.8R47 E56 K57 L60 L92 I95 M99R47-F52 VanDerWaalsContact NH2-CD1 3.31Å; R47-F52 VanDerWaalsContact NH2-CE1 3.31Å; F52-E56 HydrophobicContact CB-CB 4.17Å; F52-E56 HydrophobicContact CD1-CB 4.21Å; F52-K57 HydrophobicContact CB-CG 3.85Å; F52-K57 VanDerWaalsContact O-CE 3.3Å; F52-K57 WeakPolarHBondContact O-CE 3.44Å; F52-L60 HydrophobicContact CD1-CD1 3.92Å; F52-L60 HydrophobicContact CD2-CD1 3.94Å; F52-L60 HydrophobicContact CE1-CD1 4.07Å; F52-L60 HydrophobicContact CE2-CD1 4.09Å; F52-L60 HydrophobicContact CG-CD1 3.88Å; F52-L60 HydrophobicContact CZ-CD1 4.18Å; F52-L92 HydrophobicContact CD1-CD2 4.13Å; F52-L92 HydrophobicContact CE1-CD2 3.91Å; F52-I95 HydrophobicContact CE1-CD1 3.61Å; F52-I95 HydrophobicContact CE1-CG2 4.44Å; F52-I95 HydrophobicContact CZ-CD1 3.79Å; F52-I95 HydrophobicContact CZ-CG2 3.76Å; F52-M99 HydrophobicContact CE2-CE 4.31Å
53A94.8Very high95.3Very high36 Ų3673.2 Ų73.230%0.29838%0.376SS..  trans-67.4156.7172.100000111.5F55 E56 K57A53-F55 VanDerWaalsContact C-N 3.29Å; A53-F55 HydrophobicContact CB-CD1 3.8Å; A53-F55 HydrophobicContact CB-CE1 3.61Å; A53-F55 PolarHBondContact O-N 3.3Å; A53-F55 VanDerWaalsContact O-N 3.16Å; A53-E56 HydrophobicContact CB-CG 4.18Å; A53-E56 PolarHBondContact N-OE2 3.37Å; A53-E56 WeakPolarHBondContact O-CA 3.34Å; A53-E56 WeakPolarHBondContact O-CB 3.43Å; A53-E56 PolarHBondContact O-N 2.97Å; A53-K57 PolarHBondContact O-N 2.86Å
54P96.4Very high95.2Very high109 Ų10971 Ų7171%0.70837%0.37SS*.Hα-helixtrans-56.3-37.3-176.4-28.135.1000114.5K57 R58P54-K57 PolarHBondContact O-N 3.11Å; P54-R58 PolarHBondContact O-N 3.44Å
55F95.4Very high95.1Very high52 Ų5272.9 Ų72.923%0.22838%0.376CS..Hα-helixtrans-71.9-30.5176.579.5-86.8000112.4A53 M59 F74 R78A53-F55 VanDerWaalsContact C-N 3.29Å; A53-F55 HydrophobicContact CB-CD1 3.8Å; A53-F55 HydrophobicContact CB-CE1 3.61Å; A53-F55 PolarHBondContact O-N 3.3Å; A53-F55 VanDerWaalsContact O-N 3.16Å; F55-M59 HydrophobicContact CD2-SD 4.2Å; F55-M59 HydrophobicContact CE2-SD 4.41Å; F55-M59 WeakPolarHBondContact O-CG 3.4Å; F55-M59 PolarHBondContact O-N 3.13Å; F55-F74 HydrophobicContact CB-CE1 4.27Å; F55-F74 HydrophobicContact CB-CZ 4.3Å; F55-R78 HydrophobicContact CB-CG 4.45Å
56E95Very high94.8Very high11 Ų1175 Ų755%0.05139%0.387CS..Hα-helixtrans-71-39.6175.6-63.3-176.5129.300110.4R47 F52 A53 R58 M59 L60 K88 L92R47-E56 IonicContact CZ-OE1 3.8Å; R47-E56 IonicContact CZ-OE2 3.86Å; R47-E56 IonicContact NH1-OE1 2.78Å; R47-E56 IonicContact NH1-OE2 3.01Å; R47-E56 PolarHBondContact NH1-OE2 3.37Å; R47-E56 IonicContact NH2-OE1 3.77Å; R47-E56 PolarHBondContact NH2-OE1 3.17Å; R47-E56 IonicContact NH2-OE2 2.75Å; R47-E56 PolarHBondContact NH2-OE2 2.87Å; F52-E56 HydrophobicContact CB-CB 4.17Å; F52-E56 HydrophobicContact CD1-CB 4.21Å; A53-E56 HydrophobicContact CB-CG 4.18Å; A53-E56 PolarHBondContact N-OE2 3.37Å; A53-E56 WeakPolarHBondContact O-CA 3.34Å; A53-E56 WeakPolarHBondContact O-CB 3.43Å; A53-E56 PolarHBondContact O-N 2.97Å; E56-R58 PolarHBondContact O-N 3.47Å; E56-M59 CarbonylContact O-C 3.59Å; E56-M59 WeakPolarHBondContact O-CA 3.42Å; E56-M59 WeakPolarHBondContact O-CB 3.47Å; E56-M59 PolarHBondContact O-N 3.02Å; E56-M59 VanDerWaalsContact O-N 3.1Å; E56-L60 WeakPolarHBondContact O-CG 3.43Å; E56-L60 PolarHBondContact O-N 2.89Å; E56-K88 WeakPolarHBondContact OE1-CE 3.38Å; E56-K88 IonicContact OE1-NZ 3.21Å; E56-K88 PolarHBondContact OE1-NZ 3.47Å; E56-L92 HydrophobicContact CB-CD1 4.22Å; E56-L92 HydrophobicContact CB-CD2 4.39Å
57K94.9Very high94.7Very high119 Ų11974.9 Ų74.952%0.51738%0.383SS..Hα-helixtrans-56.7-49.3172.2-66.6-177179.7-1780111.4F52 A53 P54 M59 L60 E61F52-K57 HydrophobicContact CB-CG 3.85Å; F52-K57 VanDerWaalsContact O-CE 3.3Å; F52-K57 WeakPolarHBondContact O-CE 3.44Å; A53-K57 PolarHBondContact O-N 2.86Å; P54-K57 PolarHBondContact O-N 3.11Å; K57-M59 VanDerWaalsContact C-N 3.28Å; K57-M59 PolarHBondContact O-N 3.19Å; K57-L60 WeakPolarHBondContact O-CB 3.33Å; K57-L60 PolarHBondContact O-N 3.07Å; K57-L60 VanDerWaalsContact O-N 3.09Å; K57-E61 PolarHBondContact O-N 3.5Å
58R95.8Very high94.6Very high99 Ų9976 Ų7637%0.37439%0.391SS..Hα-helixtrans-60.6-35.1174.2-172.4172.5-170.8-127.69.8113.1P54 E56 L62 F74P54-R58 PolarHBondContact O-N 3.44Å; E56-R58 PolarHBondContact O-N 3.47Å; R58-L62 WeakPolarHBondContact O-CG 3.4Å; R58-L62 PolarHBondContact O-N 3.05Å; R58-F74 HydrophobicContact CB-CE1 3.97Å; R58-F74 HydrophobicContact CB-CZ 4.39Å; R58-F74 HydrophobicContact CG-CD1 4.47Å; R58-F74 HydrophobicContact CG-CE1 3.97Å; R58-F74 HydrophobicContact CG-CZ 4.26Å
59M95.9Very high94.7Very high0 Ų076.1 Ų76.10%039%0.389CS..Hα-helixtrans-68.1-41.2174.1-76.4-178.367.100111.9F55 E56 K57 E61 L62 L63 F74 A75 K88 L92F55-M59 HydrophobicContact CD2-SD 4.2Å; F55-M59 HydrophobicContact CE2-SD 4.41Å; F55-M59 WeakPolarHBondContact O-CG 3.4Å; F55-M59 PolarHBondContact O-N 3.13Å; E56-M59 CarbonylContact O-C 3.59Å; E56-M59 WeakPolarHBondContact O-CA 3.42Å; E56-M59 WeakPolarHBondContact O-CB 3.47Å; E56-M59 PolarHBondContact O-N 3.02Å; E56-M59 VanDerWaalsContact O-N 3.1Å; K57-M59 VanDerWaalsContact C-N 3.28Å; K57-M59 PolarHBondContact O-N 3.19Å; M59-E61 VanDerWaalsContact C-N 3.35Å; M59-L62 PolarHBondContact O-N 3.21Å; M59-L63 WeakPolarHBondContact O-CB 3.32Å; M59-L63 VanDerWaalsContact O-CG 3.28Å; M59-L63 WeakPolarHBondContact O-CG 3.38Å; M59-L63 PolarHBondContact O-N 2.75Å; M59-F74 HydrophobicContact CG-CD1 3.73Å; M59-F74 HydrophobicContact CG-CE1 4.06Å; M59-A75 HydrophobicContact CE-CB 3.42Å; M59-A75 VanDerWaalsContact CE-CB 3.42Å; M59-A75 HydrophobicContact SD-CB 3.61Å; M59-K88 HydrophobicContact CE-CG 4.04Å; M59-K88 HydrophobicContact SD-CG 4.15Å; M59-L92 HydrophobicContact CB-CD1 3.44Å; M59-L92 VanDerWaalsContact CB-CD1 3.44Å; M59-L92 HydrophobicContact CE-CD1 3.88Å; M59-L92 HydrophobicContact CG-CD1 4.31Å; M59-L92 HydrophobicContact SD-CD1 3.99Å
60L95.3Very high94.6Very high16 Ų1676.8 Ų76.88%0.08438%0.378CS..Hα-helixtrans-60.8-42.8176.1-72.5167.6000111.3F52 E56 K57 L62 L63 K64 L92 I95 V96F52-L60 HydrophobicContact CD1-CD1 3.92Å; F52-L60 HydrophobicContact CD2-CD1 3.94Å; F52-L60 HydrophobicContact CE1-CD1 4.07Å; F52-L60 HydrophobicContact CE2-CD1 4.09Å; F52-L60 HydrophobicContact CG-CD1 3.88Å; F52-L60 HydrophobicContact CZ-CD1 4.18Å; E56-L60 WeakPolarHBondContact O-CG 3.43Å; E56-L60 PolarHBondContact O-N 2.89Å; K57-L60 WeakPolarHBondContact O-CB 3.33Å; K57-L60 PolarHBondContact O-N 3.07Å; K57-L60 VanDerWaalsContact O-N 3.09Å; L60-L62 PolarHBondContact O-N 3.03Å; L60-L63 PolarHBondContact O-N 3.44Å; L60-K64 WeakPolarHBondContact O-CG 3.43Å; L60-K64 PolarHBondContact O-N 3.01Å; L60-L92 HydrophobicContact CD2-CB 3.94Å; L60-L92 HydrophobicContact CD2-CD2 4.11Å; L60-L92 HydrophobicContact CD2-CG 4.44Å; L60-L92 HydrophobicContact CG-CD1 4.43Å; L60-L92 HydrophobicContact CG-CD2 4.25Å; L60-I95 HydrophobicContact CD2-CG2 4.45Å; L60-V96 HydrophobicContact CD2-CG2 3.6Å
61E94.2Very high94.6Very high114 Ų11471.3 Ų71.353%0.53335%0.345SS..Hα-helixtrans-58.6-45.6174-70164.2-166.300112.4K57 M59 L63 K64 N65K57-E61 PolarHBondContact O-N 3.5Å; M59-E61 VanDerWaalsContact C-N 3.35Å; E61-L63 VanDerWaalsContact C-N 3.31Å; E61-L63 PolarHBondContact O-N 3.4Å; E61-K64 PolarHBondContact O-N 2.78Å; E61-N65 PolarHBondContact O-N 2.9Å; E61-N65 PolarHBondContact O-ND2 2.91Å
62L95.3Very high94.7Very high16 Ų1671.5 Ų71.58%0.08434%0.339CS..Hα-helixtrans-65.2-36.1177.4-70.8173.1000112.2R58 M59 L60 K67 R70 A71 F74R58-L62 WeakPolarHBondContact O-CG 3.4Å; R58-L62 PolarHBondContact O-N 3.05Å; M59-L62 PolarHBondContact O-N 3.21Å; L60-L62 PolarHBondContact O-N 3.03Å; L62-K67 PolarHBondContact O-N 3.33Å; L62-R70 HydrophobicContact CD1-CG 4.4Å; L62-R70 HydrophobicContact CD2-CG 4.21Å; L62-A71 HydrophobicContact CB-CB 3.86Å; L62-A71 HydrophobicContact CD1-CB 4.35Å; L62-F74 HydrophobicContact CD1-CB 4.24Å; L62-F74 HydrophobicContact CD1-CD1 4.44Å
63L94.7Very high94.8Very high10 Ų1076.1 Ų76.15%0.05236%0.359CS..Hα-helixtrans-74.3-32.8177.9-71.1171.2000112.5M59 L60 E61 N65 D66 E68 A71 R89 L92 V96M59-L63 WeakPolarHBondContact O-CB 3.32Å; M59-L63 VanDerWaalsContact O-CG 3.28Å; M59-L63 WeakPolarHBondContact O-CG 3.38Å; M59-L63 PolarHBondContact O-N 2.75Å; L60-L63 PolarHBondContact O-N 3.44Å; E61-L63 VanDerWaalsContact C-N 3.31Å; E61-L63 PolarHBondContact O-N 3.4Å; L63-N65 VanDerWaalsContact C-N 3.26Å; L63-N65 PolarHBondContact O-N 3.16Å; L63-D66 PolarHBondContact O-N 3.06Å; L63-E68 HydrophobicContact CD2-CG 4.3Å; L63-A71 HydrophobicContact CD2-CB 4Å; L63-A71 HydrophobicContact CG-CB 4.14Å; L63-R89 HydrophobicContact CD2-CG 4.08Å; L63-L92 HydrophobicContact CD1-CB 3.64Å; L63-V96 HydrophobicContact CB-CG2 4.34Å
64K92.7Very high94.9Very high119 Ų11975.1 Ų75.152%0.51735%0.348SS..Hα-helixtrans-64.3-32.8173.5-77.2179.9177.6-171.40112.5L60 E61 D66 V96 R100L60-K64 WeakPolarHBondContact O-CG 3.43Å; L60-K64 PolarHBondContact O-N 3.01Å; E61-K64 PolarHBondContact O-N 2.78Å; K64-D66 VanDerWaalsContact C-N 3.27Å; K64-D66 PolarHBondContact O-N 3.21Å; K64-V96 HydrophobicContact CG-CG1 4.36Å; K64-V96 HydrophobicContact CG-CG2 4.47Å; K64-R100 PolarHBondContact O-NH2 2.94Å
65N92.7Very high94.9Very high103 Ų10369.9 Ų69.955%0.55131%0.314SS*.THydrogen-bonded Turntrans-87.614.6176.8-66.5-33.7000113.3E61 L63 K67E61-N65 PolarHBondContact O-N 2.9Å; E61-N65 PolarHBondContact O-ND2 2.91Å; L63-N65 VanDerWaalsContact C-N 3.26Å; L63-N65 PolarHBondContact O-N 3.16Å; N65-K67 HydrophobicContact CB-CD 4.42Å; N65-K67 HydrophobicContact CB-CG 4.42Å; N65-K67 WeakPolarHBondContact O-CG 3.45Å; N65-K67 PolarHBondContact O-N 3.15Å
66D90.6Very high94.9Very high118 Ų11872.7 Ų72.763%0.63133%0.326SS*.THydrogen-bonded Turntrans55.521.3-179.3-55.9-54000114.8L63 K64 E68 R100L63-D66 PolarHBondContact O-N 3.06Å; K64-D66 VanDerWaalsContact C-N 3.27Å; K64-D66 PolarHBondContact O-N 3.21Å; D66-E68 VanDerWaalsContact C-N 3.28Å; D66-E68 PolarHBondContact O-N 3.1Å; D66-E68 VanDerWaalsContact O-N 3.08Å; D66-R100 IonicContact OD1-NH2 3.44Å
67K94Very high95Very high105 Ų10581.3 Ų81.346%0.45736%0.358SS..  trans-87.854.8179.1-68.4176.6-174.4172.80111.8L62 N65 K69 R70 A71L62-K67 PolarHBondContact O-N 3.33Å; N65-K67 HydrophobicContact CB-CD 4.42Å; N65-K67 HydrophobicContact CB-CG 4.42Å; N65-K67 WeakPolarHBondContact O-CG 3.45Å; N65-K67 PolarHBondContact O-N 3.15Å; K67-K69 PolarHBondContact O-N 3.36Å; K67-R70 HydrophobicContact CB-CB 4.17Å; K67-R70 PolarHBondContact O-N 2.94Å; K67-R70 VanDerWaalsContact O-N 3.14Å; K67-A71 PolarHBondContact O-N 2.86Å
68E93.5Very high95Very high91 Ų9182.8 Ų82.843%0.42536%0.361SS..Hα-helixtrans-57.8-43.9-172.6-67.9-162.717900114.4L63 D66 R70 A71 L72 R89L63-E68 HydrophobicContact CD2-CG 4.3Å; D66-E68 VanDerWaalsContact C-N 3.28Å; D66-E68 PolarHBondContact O-N 3.1Å; D66-E68 VanDerWaalsContact O-N 3.08Å; E68-R70 VanDerWaalsContact C-N 3.29Å; E68-R70 PolarHBondContact O-N 3.41Å; E68-A71 WeakPolarHBondContact O-CB 3.49Å; E68-A71 PolarHBondContact O-N 3.16Å; E68-L72 WeakPolarHBondContact O-CB 3.38Å; E68-L72 PolarHBondContact O-N 3.39Å; E68-R89 IonicContact OE2-CZ 3.87Å; E68-R89 IonicContact OE2-NH1 3.21Å; E68-R89 PolarHBondContact OE2-NH1 2.89Å
69K95.4Very high95Very high162 Ų16280.4 Ų80.470%0.70436%0.355SS*.Hα-helixtrans-63.9-37.1-179.4-174172-176.9177.50111.2K67 K73K67-K69 PolarHBondContact O-N 3.36Å; K69-K73 WeakPolarHBondContact O-CG 3.42Å; K69-K73 PolarHBondContact O-N 2.93Å
70R95.8Very high94.9Very high142 Ų14283.3 Ų83.354%0.53639%0.385SS..Hα-helixtrans-70.5-42.5175.1-171.1174.5177.1179-2.1110.9L62 K67 E68 L72 K73 F74L62-R70 HydrophobicContact CD1-CG 4.4Å; L62-R70 HydrophobicContact CD2-CG 4.21Å; K67-R70 HydrophobicContact CB-CB 4.17Å; K67-R70 PolarHBondContact O-N 2.94Å; K67-R70 VanDerWaalsContact O-N 3.14Å; E68-R70 VanDerWaalsContact C-N 3.29Å; E68-R70 PolarHBondContact O-N 3.41Å; R70-L72 VanDerWaalsContact C-N 3.31Å; R70-L72 PolarHBondContact O-N 3.28Å; R70-K73 PolarHBondContact O-N 2.89Å; R70-F74 WeakPolarHBondContact O-CB 3.36Å; R70-F74 PolarHBondContact O-N 3.47Å
71A96.1Very high95Very high0 Ų083.6 Ų83.60%039%0.392CS..Hα-helixtrans-58.2-43.417400000111.6L62 L63 K67 E68 F74 A75L62-A71 HydrophobicContact CB-CB 3.86Å; L62-A71 HydrophobicContact CD1-CB 4.35Å; L63-A71 HydrophobicContact CD2-CB 4Å; L63-A71 HydrophobicContact CG-CB 4.14Å; K67-A71 PolarHBondContact O-N 2.86Å; E68-A71 WeakPolarHBondContact O-CB 3.49Å; E68-A71 PolarHBondContact O-N 3.16Å; A71-F74 PolarHBondContact O-N 2.83Å; A71-A75 VanDerWaalsContact O-CB 3.3Å; A71-A75 WeakPolarHBondContact O-CB 3.48Å; A71-A75 PolarHBondContact O-N 3.42Å
72L96.3Very high95.1Very high29 Ų2982.4 Ų82.415%0.15239%0.386CS..Hα-helixtrans-65-45.1177.4-176.962.8000112.4E68 R70 F74 A75 K76 A85 K86E68-L72 WeakPolarHBondContact O-CB 3.38Å; E68-L72 PolarHBondContact O-N 3.39Å; R70-L72 VanDerWaalsContact C-N 3.31Å; R70-L72 PolarHBondContact O-N 3.28Å; L72-F74 VanDerWaalsContact C-N 3.32Å; L72-F74 PolarHBondContact O-N 3.48Å; L72-A75 PolarHBondContact O-N 2.89Å; L72-K76 WeakPolarHBondContact O-CB 3.47Å; L72-K76 PolarHBondContact O-N 3.45Å; L72-A85 HydrophobicContact CD1-CB 3.95Å; L72-K86 HydrophobicContact CD1-CG 3.95Å
73K96.6Very high95.2Very high147 Ų14792.2 Ų92.264%0.63942%0.422SS*.Hα-helixtrans-60.7-42.6175.4-76-175.3176.5-171.80111.4K69 R70 K76 R77K69-K73 WeakPolarHBondContact O-CG 3.42Å; K69-K73 PolarHBondContact O-N 2.93Å; R70-K73 PolarHBondContact O-N 2.89Å; K73-K76 PolarHBondContact O-N 2.91Å; K73-R77 PolarHBondContact O-N 3.25Å; K73-R77 VanDerWaalsContact O-N 3.13Å
74F96.1Very high95.3Very high15 Ų15100.3 Ų100.37%0.06645%0.452CS..Hα-helixtrans-63.4-47.6176.3177.7-115.6000112F55 R58 M59 L62 R70 A71 L72 K76 R77 R78F55-F74 HydrophobicContact CB-CE1 4.27Å; F55-F74 HydrophobicContact CB-CZ 4.3Å; R58-F74 HydrophobicContact CB-CE1 3.97Å; R58-F74 HydrophobicContact CB-CZ 4.39Å; R58-F74 HydrophobicContact CG-CD1 4.47Å; R58-F74 HydrophobicContact CG-CE1 3.97Å; R58-F74 HydrophobicContact CG-CZ 4.26Å; M59-F74 HydrophobicContact CG-CD1 3.73Å; M59-F74 HydrophobicContact CG-CE1 4.06Å; L62-F74 HydrophobicContact CD1-CB 4.24Å; L62-F74 HydrophobicContact CD1-CD1 4.44Å; R70-F74 WeakPolarHBondContact O-CB 3.36Å; R70-F74 PolarHBondContact O-N 3.47Å; A71-F74 PolarHBondContact O-N 2.83Å; L72-F74 VanDerWaalsContact C-N 3.32Å; L72-F74 PolarHBondContact O-N 3.48Å; F74-K76 VanDerWaalsContact C-N 3.35Å; F74-K76 PolarHBondContact O-N 3.07Å; F74-R77 PolarHBondContact O-N 3.09Å; F74-R78 HydrophobicContact CD2-CG 4.23Å; F74-R78 HydrophobicContact CE1-CG 4.16Å; F74-R78 HydrophobicContact CE2-CG 3.69Å; F74-R78 HydrophobicContact CZ-CG 3.67Å; F74-R78 WeakPolarHBondContact O-CG 3.44Å; F74-R78 PolarHBondContact O-N 3.24Å; F74-R78 VanDerWaalsContact O-N 3.11Å
75A96.2Very high95.5Very high0 Ų094.7 Ų94.70%043%0.427CS..Hα-helixtrans-60.6-42.5177.500000112.3M59 A71 L72 R77 R78 I79 A85M59-A75 HydrophobicContact CE-CB 3.42Å; M59-A75 VanDerWaalsContact CE-CB 3.42Å; M59-A75 HydrophobicContact SD-CB 3.61Å; A71-A75 VanDerWaalsContact O-CB 3.3Å; A71-A75 WeakPolarHBondContact O-CB 3.48Å; A71-A75 PolarHBondContact O-N 3.42Å; L72-A75 PolarHBondContact O-N 2.89Å; A75-R77 VanDerWaalsContact C-N 3.31Å; A75-R77 PolarHBondContact O-N 3.24Å; A75-R78 PolarHBondContact O-N 3.01Å; A75-R78 VanDerWaalsContact O-N 3.16Å; A75-I79 HydrophobicContact CB-CD1 4.4Å; A75-I79 WeakPolarHBondContact O-CB 3.15Å; A75-I79 WeakPolarHBondContact O-CG1 3.34Å; A75-I79 PolarHBondContact O-N 3.13Å; A75-A85 HydrophobicContact CB-CB 3.93Å
76K96.7Very high95.7Very high110 Ų11093.9 Ų93.948%0.47842%0.419SS..Hα-helixtrans-59.3-42.5176.1-171.9-177175.5-173.50111L72 K73 F74 R78 G80 A85L72-K76 WeakPolarHBondContact O-CB 3.47Å; L72-K76 PolarHBondContact O-N 3.45Å; K73-K76 PolarHBondContact O-N 2.91Å; F74-K76 VanDerWaalsContact C-N 3.35Å; F74-K76 PolarHBondContact O-N 3.07Å; K76-R78 VanDerWaalsContact C-N 3.33Å; K76-R78 PolarHBondContact O-N 3.41Å; K76-G80 WeakPolarHBondContact O-CA 3.49Å; K76-G80 PolarHBondContact O-N 3.03Å; K76-A85 HydrophobicContact CB-CB 4.21Å
77R95.9Very high95.9Very high193 Ų19395.6 Ų95.673%0.72842%0.421SS*.Hα-helixtrans-65.7-31.7176.8-168.5170.572.2173.77113.2K73 F74 A75K73-R77 PolarHBondContact O-N 3.25Å; K73-R77 VanDerWaalsContact O-N 3.13Å; F74-R77 PolarHBondContact O-N 3.09Å; A75-R77 VanDerWaalsContact C-N 3.31Å; A75-R77 PolarHBondContact O-N 3.24Å
78R96Very high96Very high150 Ų15092.6 Ų92.657%0.56641%0.408SS*.Hα-helixtrans-86.1-34.9-179.6-62.1-65.1-76.3-137.8-2.8113.8F55 F74 A75 K76F55-R78 HydrophobicContact CB-CG 4.45Å; F74-R78 HydrophobicContact CD2-CG 4.23Å; F74-R78 HydrophobicContact CE1-CG 4.16Å; F74-R78 HydrophobicContact CE2-CG 3.69Å; F74-R78 HydrophobicContact CZ-CG 3.67Å; F74-R78 WeakPolarHBondContact O-CG 3.44Å; F74-R78 PolarHBondContact O-N 3.24Å; F74-R78 VanDerWaalsContact O-N 3.11Å; A75-R78 PolarHBondContact O-N 3.01Å; A75-R78 VanDerWaalsContact O-N 3.16Å; K76-R78 VanDerWaalsContact C-N 3.33Å; K76-R78 PolarHBondContact O-N 3.41Å
79I95Very high96.1Very high48 Ų4890.7 Ų90.725%0.24640%0.397CS..Hα-helixtrans-98.6-25.2-173.8-59.4167.9000112.3A75 G81 R84 K88A75-I79 HydrophobicContact CB-CD1 4.4Å; A75-I79 WeakPolarHBondContact O-CB 3.15Å; A75-I79 WeakPolarHBondContact O-CG1 3.34Å; A75-I79 PolarHBondContact O-N 3.13Å; I79-G81 PolarHBondContact O-N 3.46Å; I79-R84 HydrophobicContact CG2-CB 3.54Å; I79-R84 HydrophobicContact CG2-CG 4.43Å; I79-K88 HydrophobicContact CD1-CB 3.76Å; I79-K88 HydrophobicContact CD1-CG 3.95Å
80G94.8Very high96.1Very high61 Ų6188.2 Ų88.263%0.62939%0.388SS*.SBendtrans90.5-33.9179.700000115.1K76K76-G80 WeakPolarHBondContact O-CA 3.49Å; K76-G80 PolarHBondContact O-N 3.03Å
81G96.3Very high96Very high23 Ų2385.1 Ų85.124%0.23738%0.379CS..  trans-108.3135.4-175.300000115.1I79 R84 A85I79-G81 PolarHBondContact O-N 3.46Å; G81-R84 PolarHBondContact O-N 2.78Å; G81-A85 WeakPolarHBondContact O-CB 3.27Å; G81-A85 PolarHBondContact O-N 3.36Å
82H96.1Very high96Very high88 Ų8885.1 Ų85.141%0.40738%0.379SS..Hα-helixtrans-62.3-47.2179-172.357.9000113.3R84 A85 K86H82-R84 VanDerWaalsContact C-N 3.31Å; H82-R84 PolarHBondContact O-N 3.14Å; H82-A85 PolarHBondContact O-N 3.3Å; H82-K86 WeakPolarHBondContact NE2-CE 3.2Å; H82-K86 PolarHBondContact O-N 3.34Å
83R97.2Very high95.9Very high223 Ų22385.1 Ų85.184%0.84238%0.38SS*.Hα-helixtrans-61-40.8177.7-67.7-179.367.3-171.62.6111.8K87R83-K87 PolarHBondContact O-N 3.28Å; R83-K87 VanDerWaalsContact O-N 3.1Å
84R96.7Very high95.8Very high180 Ų18080.9 Ų80.968%0.67937%0.373SS*.Hα-helixtrans-68.1-41.3177.9-60.3-175.9-171.3172.32.2111.3I79 G81 H82 K87 K88I79-R84 HydrophobicContact CG2-CB 3.54Å; I79-R84 HydrophobicContact CG2-CG 4.43Å; G81-R84 PolarHBondContact O-N 2.78Å; H82-R84 VanDerWaalsContact C-N 3.31Å; H82-R84 PolarHBondContact O-N 3.14Å; R84-K87 PolarHBondContact O-N 3.24Å; R84-K88 PolarHBondContact O-N 3.38Å
85A97.1Very high95.6Very high0 Ų081.7 Ų81.70%038%0.378CS..Hα-helixtrans-63.2-43.1176.500000112.4L72 A75 K76 G81 H82 K88 R89L72-A85 HydrophobicContact CD1-CB 3.95Å; A75-A85 HydrophobicContact CB-CB 3.93Å; K76-A85 HydrophobicContact CB-CB 4.21Å; G81-A85 WeakPolarHBondContact O-CB 3.27Å; G81-A85 PolarHBondContact O-N 3.36Å; H82-A85 PolarHBondContact O-N 3.3Å; A85-K88 PolarHBondContact O-N 2.95Å; A85-R89 WeakPolarHBondContact O-CB 3.43Å; A85-R89 PolarHBondContact O-N 3.1Å
86K97.1Very high95.4Very high87 Ų8782.2 Ų82.238%0.37838%0.381SS..Hα-helixtrans-59.1-48.3172.8-79-170.9170.8-174.20111.8L72 H82 K88 R89 E90L72-K86 HydrophobicContact CD1-CG 3.95Å; H82-K86 WeakPolarHBondContact NE2-CE 3.2Å; H82-K86 PolarHBondContact O-N 3.34Å; K86-K88 VanDerWaalsContact C-N 3.34Å; K86-K88 PolarHBondContact O-N 3.35Å; K86-R89 WeakPolarHBondContact O-CB 3.37Å; K86-R89 PolarHBondContact O-N 3.08Å; K86-R89 VanDerWaalsContact O-N 3.15Å; K86-E90 WeakPolarHBondContact O-CG 2.95Å; K86-E90 PolarHBondContact O-N 3.06Å
87K96.3Very high95.2Very high154 Ų15483.4 Ų83.467%0.6739%0.386SS*.Hα-helixtrans-58.3-44177.3-174.7176.6-179.2179.20112.3R83 R84 E90 E91R83-K87 PolarHBondContact O-N 3.28Å; R83-K87 VanDerWaalsContact O-N 3.1Å; R84-K87 PolarHBondContact O-N 3.24Å; K87-E90 PolarHBondContact O-N 3.36Å; K87-E91 PolarHBondContact O-N 3.11Å
88K96.1Very high95Very high41 Ų4177.3 Ų77.318%0.17837%0.373CS..Hα-helixtrans-67.1-38.2177.2-17858.566.8177.90111.9E56 M59 I79 R84 A85 K86 E91 L92E56-K88 WeakPolarHBondContact OE1-CE 3.38Å; E56-K88 IonicContact OE1-NZ 3.21Å; E56-K88 PolarHBondContact OE1-NZ 3.47Å; M59-K88 HydrophobicContact CE-CG 4.04Å; M59-K88 HydrophobicContact SD-CG 4.15Å; I79-K88 HydrophobicContact CD1-CB 3.76Å; I79-K88 HydrophobicContact CD1-CG 3.95Å; R84-K88 PolarHBondContact O-N 3.38Å; A85-K88 PolarHBondContact O-N 2.95Å; K86-K88 VanDerWaalsContact C-N 3.34Å; K86-K88 PolarHBondContact O-N 3.35Å; K88-E91 WeakPolarHBondContact CE-OE2 3.31Å; K88-E91 IonicContact NZ-OE1 3.36Å; K88-E91 PolarHBondContact NZ-OE1 3.5Å; K88-E91 IonicContact NZ-OE2 2.78Å; K88-E91 PolarHBondContact NZ-OE2 3.28Å; K88-E91 PolarHBondContact O-N 3.19Å; K88-L92 HydrophobicContact CD-CD1 4.39Å; K88-L92 HydrophobicContact CD-CG 4.23Å; K88-L92 HydrophobicContact CG-CD1 4.47Å; K88-L92 WeakPolarHBondContact O-CG 3.37Å; K88-L92 PolarHBondContact O-N 3.38Å
89R94.9Very high94.6Very high51 Ų5174.8 Ų74.819%0.19237%0.369CS..Hα-helixtrans-60.6-47173.8-175.5-170.567.6149.25.8111.1L63 E68 A85 K86 L92 T93L63-R89 HydrophobicContact CD2-CG 4.08Å; E68-R89 IonicContact OE2-CZ 3.87Å; E68-R89 IonicContact OE2-NH1 3.21Å; E68-R89 PolarHBondContact OE2-NH1 2.89Å; A85-R89 WeakPolarHBondContact O-CB 3.43Å; A85-R89 PolarHBondContact O-N 3.1Å; K86-R89 WeakPolarHBondContact O-CB 3.37Å; K86-R89 PolarHBondContact O-N 3.08Å; K86-R89 VanDerWaalsContact O-N 3.15Å; R89-L92 PolarHBondContact O-N 3.34Å; R89-T93 VanDerWaalsContact O-CB 3.32Å; R89-T93 WeakPolarHBondContact O-CB 3.44Å; R89-T93 PolarHBondContact O-N 3.43Å; R89-T93 PolarHBondContact O-OG1 2.74Å
90E95.3Very high94.2Very high111 Ų11179 Ų7952%0.51938%0.382SS..Hα-helixtrans-61-44.2178.2-73.3160.7-162.200111.9K86 K87 L92 T93 A94K86-E90 WeakPolarHBondContact O-CG 2.95Å; K86-E90 PolarHBondContact O-N 3.06Å; K87-E90 PolarHBondContact O-N 3.36Å; E90-L92 PolarHBondContact O-N 2.95Å; E90-T93 PolarHBondContact O-N 3.21Å; E90-A94 PolarHBondContact O-N 3.34Å
91E94.6Very high93.9Very high76 Ų7683.8 Ų83.836%0.35539%0.39SS..Hα-helixtrans-55.8-51.9174-175-165.4150.800111.6R47 K87 K88 T93 A94 I95R47-E91 IonicContact NH2-OE1 2.93Å; R47-E91 PolarHBondContact NH2-OE1 2.83Å; K87-E91 PolarHBondContact O-N 3.11Å; K88-E91 WeakPolarHBondContact CE-OE2 3.31Å; K88-E91 IonicContact NZ-OE1 3.36Å; K88-E91 PolarHBondContact NZ-OE1 3.5Å; K88-E91 IonicContact NZ-OE2 2.78Å; K88-E91 PolarHBondContact NZ-OE2 3.28Å; K88-E91 PolarHBondContact O-N 3.19Å; E91-T93 PolarHBondContact O-N 2.89Å; E91-A94 PolarHBondContact O-N 3.3Å; E91-I95 WeakPolarHBondContact O-CG1 3.4Å; E91-I95 PolarHBondContact O-N 3.26Å
92L95.3Very high92.6Very high0 Ų094.2 Ų94.20%043%0.428CS..Hα-helixtrans-70.2-32-179.1-64.4-175.9000112.6F52 E56 M59 L60 L63 K88 R89 E90 I95 V96F52-L92 HydrophobicContact CD1-CD2 4.13Å; F52-L92 HydrophobicContact CE1-CD2 3.91Å; E56-L92 HydrophobicContact CB-CD1 4.22Å; E56-L92 HydrophobicContact CB-CD2 4.39Å; M59-L92 HydrophobicContact CB-CD1 3.44Å; M59-L92 VanDerWaalsContact CB-CD1 3.44Å; M59-L92 HydrophobicContact CE-CD1 3.88Å; M59-L92 HydrophobicContact CG-CD1 4.31Å; M59-L92 HydrophobicContact SD-CD1 3.99Å; L60-L92 HydrophobicContact CD2-CB 3.94Å; L60-L92 HydrophobicContact CD2-CD2 4.11Å; L60-L92 HydrophobicContact CD2-CG 4.44Å; L60-L92 HydrophobicContact CG-CD1 4.43Å; L60-L92 HydrophobicContact CG-CD2 4.25Å; L63-L92 HydrophobicContact CD1-CB 3.64Å; K88-L92 HydrophobicContact CD-CD1 4.39Å; K88-L92 HydrophobicContact CD-CG 4.23Å; K88-L92 HydrophobicContact CG-CD1 4.47Å; K88-L92 WeakPolarHBondContact O-CG 3.37Å; K88-L92 PolarHBondContact O-N 3.38Å; R89-L92 PolarHBondContact O-N 3.34Å; E90-L92 PolarHBondContact O-N 2.95Å; L92-I95 HydrophobicContact CD2-CD1 4.19Å; L92-I95 WeakPolarHBondContact O-CB 3.49Å; L92-I95 PolarHBondContact O-N 2.92Å; L92-V96 WeakPolarHBondContact O-CG2 3.22Å; L92-V96 PolarHBondContact O-N 3.08Å
93T94.7Very high92.5Very high29 Ų2994.5 Ų94.518%0.17843%0.429CS..Hα-helixtrans-66.3-40.3175.5-550000110.7R89 E90 E91 I95 V96 K97R89-T93 VanDerWaalsContact O-CB 3.32Å; R89-T93 WeakPolarHBondContact O-CB 3.44Å; R89-T93 PolarHBondContact O-N 3.43Å; R89-T93 PolarHBondContact O-OG1 2.74Å; E90-T93 PolarHBondContact O-N 3.21Å; E91-T93 PolarHBondContact O-N 2.89Å; T93-I95 VanDerWaalsContact C-N 3.27Å; T93-I95 PolarHBondContact O-N 3.15Å; T93-V96 PolarHBondContact O-N 2.74Å; T93-K97 WeakPolarHBondContact O-CG 3.45Å; T93-K97 PolarHBondContact O-N 2.71Å
94A93.8Very high92.2Very high59 Ų5987.7 Ų87.749%0.48841%0.407SS..Hα-helixtrans-61.1-38.1174.200000111.7E90 E91 K97 S98E90-A94 PolarHBondContact O-N 3.34Å; E91-A94 PolarHBondContact O-N 3.3Å; A94-K97 PolarHBondContact O-N 2.79Å; A94-S98 PolarHBondContact O-N 3.22Å
95I92.5Very high92Very high32 Ų3282.6 Ų82.616%0.16439%0.392CS..Hα-helixtrans-67.6-44.8176.3-66.6170.1000111.5F52 L60 E91 L92 T93 K97 S98 M99F52-I95 HydrophobicContact CE1-CD1 3.61Å; F52-I95 HydrophobicContact CE1-CG2 4.44Å; F52-I95 HydrophobicContact CZ-CD1 3.79Å; F52-I95 HydrophobicContact CZ-CG2 3.76Å; L60-I95 HydrophobicContact CD2-CG2 4.45Å; E91-I95 WeakPolarHBondContact O-CG1 3.4Å; E91-I95 PolarHBondContact O-N 3.26Å; L92-I95 HydrophobicContact CD2-CD1 4.19Å; L92-I95 WeakPolarHBondContact O-CB 3.49Å; L92-I95 PolarHBondContact O-N 2.92Å; T93-I95 VanDerWaalsContact C-N 3.27Å; T93-I95 PolarHBondContact O-N 3.15Å; I95-K97 VanDerWaalsContact C-N 3.28Å; I95-K97 PolarHBondContact O-N 3.07Å; I95-S98 WeakPolarHBondContact CA-OG 3.3Å; I95-S98 PolarHBondContact O-N 3.16Å; I95-S98 PolarHBondContact O-OG 3.36Å; I95-M99 HydrophobicContact CG2-CE 3.75Å; I95-M99 HydrophobicContact CG2-SD 4.14Å; I95-M99 WeakPolarHBondContact O-CB 3.2Å; I95-M99 VanDerWaalsContact O-CG 3.31Å; I95-M99 WeakPolarHBondContact O-CG 3.42Å; I95-M99 PolarHBondContact O-N 3.48Å
96V91.9Very high91.7Very high10 Ų1087.5 Ų87.56%0.06142%0.415CS..Hα-helixtrans-60.4-41.5175.7173.20000110.5L60 L63 K64 L92 T93 M99 R100L60-V96 HydrophobicContact CD2-CG2 3.6Å; L63-V96 HydrophobicContact CB-CG2 4.34Å; K64-V96 HydrophobicContact CG-CG1 4.36Å; K64-V96 HydrophobicContact CG-CG2 4.47Å; L92-V96 WeakPolarHBondContact O-CG2 3.22Å; L92-V96 PolarHBondContact O-N 3.08Å; T93-V96 PolarHBondContact O-N 2.74Å; V96-M99 PolarHBondContact O-N 3Å; V96-R100 WeakPolarHBondContact O-CG 3.27Å; V96-R100 PolarHBondContact O-N 3.4Å; V96-R100 VanDerWaalsContact O-N 3.08Å
97K91.7Very high91.3Very high136 Ų13687.5 Ų87.559%0.59142%0.418SS*.Hα-helixtrans-62.6-46174.8-72.6-179.8178.6-171.90111.9T93 A94 I95 M99 R100 M101T93-K97 WeakPolarHBondContact O-CG 3.45Å; T93-K97 PolarHBondContact O-N 2.71Å; A94-K97 PolarHBondContact O-N 2.79Å; I95-K97 VanDerWaalsContact C-N 3.28Å; I95-K97 PolarHBondContact O-N 3.07Å; K97-M99 VanDerWaalsContact C-N 3.25Å; K97-M99 PolarHBondContact O-N 3.15Å; K97-R100 PolarHBondContact O-N 3.31Å; K97-R100 VanDerWaalsContact O-N 3.14Å; K97-M101 WeakPolarHBondContact O-CG 3.49Å; K97-M101 PolarHBondContact O-N 3.07Å
98S91Very high91Very high65 Ų6583.1 Ų83.146%0.45540%0.401SS..Hα-helixtrans-66.4-27.7178.5710000113.1A94 I95A94-S98 PolarHBondContact O-N 3.22Å; I95-S98 WeakPolarHBondContact CA-OG 3.3Å; I95-S98 PolarHBondContact O-N 3.16Å; I95-S98 PolarHBondContact O-OG 3.36Å
99M88.5Confident90.7Very high96 Ų9686.1 Ų86.147%0.47342%0.417SS..Hα-helixtrans-74.4-29.3173.2-73.2176.1173.700113F52 I95 V96 K97F52-M99 HydrophobicContact CE2-CE 4.31Å; I95-M99 HydrophobicContact CG2-CE 3.75Å; I95-M99 HydrophobicContact CG2-SD 4.14Å; I95-M99 WeakPolarHBondContact O-CB 3.2Å; I95-M99 VanDerWaalsContact O-CG 3.31Å; I95-M99 WeakPolarHBondContact O-CG 3.42Å; I95-M99 PolarHBondContact O-N 3.48Å; V96-M99 PolarHBondContact O-N 3Å; K97-M99 VanDerWaalsContact C-N 3.25Å; K97-M99 PolarHBondContact O-N 3.15Å
100R87.2Confident90.3Very high138 Ų13888.8 Ų88.852%0.52143%0.434SS..Hα-helixtrans-79.3-21.2177.3-74-178.9-179.71792.1113.5K64 D66 V96 K97K64-R100 PolarHBondContact O-NH2 2.94Å; D66-R100 IonicContact OD1-NH2 3.44Å; V96-R100 WeakPolarHBondContact O-CG 3.27Å; V96-R100 PolarHBondContact O-N 3.4Å; V96-R100 VanDerWaalsContact O-N 3.08Å; K97-R100 PolarHBondContact O-N 3.31Å; K97-R100 VanDerWaalsContact O-N 3.14Å
101M87.5Confident89.9Confident161 Ų16186.9 Ų86.979%0.79343%0.427SS*.  trans-91.7-7.8179.8-62-69.1104.600113K97K97-M101 WeakPolarHBondContact O-CG 3.49Å; K97-M101 PolarHBondContact O-N 3.07Å
102K70.3Confident89.5Confident241 Ų24187.9 Ų87.9100%1.04843%0.434SS*.  trans-90.70168.2-74.7-173176.9-168.40108.5

Retrieved 102 of 102 residues in 21.2 ms (Link to these results)