A0A087X4D9_POEFO Loading...

Actin-related protein 2/3 complex subunit 5

Functions as component of the Arp2/3 complex which is involved in regulation of actin polymerization and together with an activating nucleation-promoting factor (NPF) mediates the formation of branched actin networks. Arp2/3 complex plays a critical role in the control of cell morphogenesis via the modulation of cell polarity development.

AlphaFold DB (A0A3P9PAJ3), UniProt , Accession A0A087X4D9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 150 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
1M42.9Very low69.4Low240 Ų240147.7 Ų147.7100%1.18274%0.742SS**  093.90-73.5-83.4-92.200107.9K3M1-K3 PolarHBondContact O-N 3.16Å
2S56.6Low71.2Confident129 Ų129148.3 Ų148.390%0.90274%0.736SS**  trans-68.2123177-67.60000109N4S2-N4 PolarHBondContact O-N 3.36Å
3K57Low72.8Confident195 Ų195143.5 Ų143.585%0.84872%0.719SS**  trans-59.8127.7174.5-85.5175.9171175.10108.7M1 T5M1-K3 PolarHBondContact O-N 3.16Å; K3-T5 PolarHBondContact O-N 2.67Å
4N60.5Low74.2Confident143 Ų143139.9 Ų139.977%0.76570%0.703SS**  trans-63.5114.1179.7-159.88.3000109.8S2 V6S2-N4 PolarHBondContact O-N 3.36Å; N4-V6 VanDerWaalsContact C-N 3.27Å; N4-V6 HydrophobicContact CB-CG2 4.26Å; N4-V6 WeakPolarHBondContact ND2-CG2 3.37Å; N4-V6 PolarHBondContact O-N 3.19Å; N4-V6 WeakPolarHBondContact OD1-CG2 3.45Å
5T64.6Low75.5Confident134 Ų134137.1 Ų137.182%0.82270%0.696SS**  trans-88.234.5-177.348.20000112.8K3 S7K3-T5 PolarHBondContact O-N 2.67Å; T5-S7 PolarHBondContact O-N 3.1Å
6V67.4Low76.6Confident111 Ų111135.8 Ų135.867%0.67369%0.691SS**  trans-75.939.3-178.5-154.20000112.5N4 D8N4-V6 VanDerWaalsContact C-N 3.27Å; N4-V6 HydrophobicContact CB-CG2 4.26Å; N4-V6 WeakPolarHBondContact ND2-CG2 3.37Å; N4-V6 PolarHBondContact O-N 3.19Å; N4-V6 WeakPolarHBondContact OD1-CG2 3.45Å; V6-D8 PolarHBondContact O-N 3.22Å
7S75.4Confident77.5Confident67 Ų67133.9 Ų133.947%0.46968%0.679SS.*  trans-81.9106.7170.5-163.10000108.1T5 R9 F10T5-S7 PolarHBondContact O-N 3.1Å; S7-R9 WeakPolarHBondContact OG-CG 3.4Å; S7-F10 WeakPolarHBondContact O-CD1 3.5Å; S7-F10 WeakPolarHBondContact O-CE1 3.44Å
8D83.4Confident78.3Confident79 Ų79136.8 Ų136.842%0.42268%0.682SS.*  trans-83.33.2172.670-18.7000112.6V6 F10 R11 K12V6-D8 PolarHBondContact O-N 3.22Å; D8-F10 PolarHBondContact O-N 2.97Å; D8-R11 WeakPolarHBondContact O-CB 3.44Å; D8-R11 PolarHBondContact O-N 3.33Å; D8-K12 IonicContact OD1-NZ 3.83Å; D8-K12 IonicContact OD2-NZ 3.96Å
9R83.2Confident79.2Confident191 Ų191133.8 Ų133.872%0.72167%0.669SS**G310 helixtrans-54.4-31.7-175.2-70.9179.374.8165.22.5113S7 R11 K12S7-R9 WeakPolarHBondContact OG-CG 3.4Å; R9-R11 VanDerWaalsContact C-N 3.26Å; R9-R11 PolarHBondContact O-N 2.98Å; R9-K12 PolarHBondContact O-N 2.99Å
10F84.3Confident79.9Confident139 Ų139136.9 Ų136.961%0.6168%0.681SS**G310 helixtrans-68.3-22.3177.569.3-91000113.6S7 D8 K12S7-F10 WeakPolarHBondContact O-CD1 3.5Å; S7-F10 WeakPolarHBondContact O-CE1 3.44Å; D8-F10 PolarHBondContact O-N 2.97Å; F10-K12 VanDerWaalsContact C-N 3.34Å
11R88.3Confident80.6Confident197 Ų197137.2 Ų137.274%0.74369%0.685SS**G310 helixtrans-85.7-8177.4-58-176.9-180170.5-2113.4D8 R9D8-R11 WeakPolarHBondContact O-CB 3.44Å; D8-R11 PolarHBondContact O-N 3.33Å; R9-R11 VanDerWaalsContact C-N 3.26Å; R9-R11 PolarHBondContact O-N 2.98Å
12K90.8Very high83.1Confident154 Ų154130 Ų13067%0.6765%0.647SS**G310 helixtrans-90.1-6.9177.3-60.2-176.8-179.1178.50112.4D8 R9 F10D8-K12 IonicContact OD1-NZ 3.83Å; D8-K12 IonicContact OD2-NZ 3.96Å; R9-K12 PolarHBondContact O-N 2.99Å; F10-K12 VanDerWaalsContact C-N 3.34Å
13V91.7Very high84.8Confident87 Ų87131 Ų13153%0.52764%0.636SS.*SBendtrans-79.5122175.5-178.40000107.5V15V13-V15 HydrophobicContact CG1-CG1 4.27Å; V13-V15 PolarHBondContact O-N 2.99Å
14D93.1Very high86.3Confident92 Ų92127.2 Ų127.249%0.49263%0.628SS.*  trans-77.997.8171-171-7.7000108.6D16D14-D16 VanDerWaalsContact C-N 3.3Å; D14-D16 PolarHBondContact OD1-N 3.45Å; D14-D16 VanDerWaalsContact OD1-N 3.17Å
15V92.9Very high87.6Confident99 Ų99123.4 Ų123.460%0.661%0.608SS**SBendtrans-76.7-21.1-179.4-62.40000112V13 E17 Y18V13-V15 HydrophobicContact CG1-CG1 4.27Å; V13-V15 PolarHBondContact O-N 2.99Å; V15-E17 VanDerWaalsContact C-N 3.28Å; V15-E17 PolarHBondContact O-N 2.97Å; V15-Y18 PolarHBondContact O-N 3.24Å
16D92.7Very high88.5Confident115 Ų115124.9 Ų124.962%0.61561%0.606SS**G310 helixtrans-73.9-23.7-178.1-60.5-24.3000111.1D14 Y18 D19D14-D16 VanDerWaalsContact C-N 3.3Å; D14-D16 PolarHBondContact OD1-N 3.45Å; D14-D16 VanDerWaalsContact OD1-N 3.17Å; D16-Y18 PolarHBondContact O-N 3.08Å; D16-D19 PolarHBondContact O-N 3.46Å
17E93.1Very high88.6Confident105 Ų105126.7 Ų126.749%0.49161%0.607SS.*G310 helixtrans-58.8-26.8173.1-170.659-143.400112.7V15 K22V15-E17 VanDerWaalsContact C-N 3.28Å; V15-E17 PolarHBondContact O-N 2.97Å; E17-K22 IonicContact OE1-NZ 2.74Å; E17-K22 PolarHBondContact OE1-NZ 2.97Å; E17-K22 IonicContact OE2-NZ 3.23Å; E17-K22 PolarHBondContact OE2-NZ 3.46Å
18Y91.7Very high88Confident186 Ų186129 Ų12973%0.72961%0.613SS**G310 helixtrans-104.38.8-176.9-57-81000113.5V15 D16 E20V15-Y18 PolarHBondContact O-N 3.24Å; D16-Y18 PolarHBondContact O-N 3.08Å; Y18-E20 PolarHBondContact O-N 3.38Å
19D95.6Very high86.9Confident79 Ų79128.7 Ų128.742%0.42263%0.629SS.*  trans-66.4121.1174.3-175.8-3.9000110.2D16 N21 K22D16-D19 PolarHBondContact O-N 3.46Å; D19-N21 PolarHBondContact O-N 3.31Å; D19-N21 VanDerWaalsContact O-N 3.13Å; D19-N21 WeakPolarHBondContact OD1-CB 3.4Å; D19-N21 PolarHBondContact OD1-N 3.04Å; D19-N21 PolarHBondContact OD1-ND2 3.08Å; D19-K22 HydrophobicContact CB-CB 4.46Å; D19-K22 WeakPolarHBondContact O-CB 3.47Å; D19-K22 PolarHBondContact O-N 3.23Å
20E93.4Very high85.9Confident195 Ų195120 Ų12091%0.91160%0.6SS**THydrogen-bonded Turntrans-61.1-20.6178.2-63-178.5173.200112.8Y18 K22Y18-E20 PolarHBondContact O-N 3.38Å; E20-K22 VanDerWaalsContact C-N 3.35Å
21N94.6Very high84.9Confident144 Ų144121.7 Ų121.777%0.7761%0.609SS**THydrogen-bonded Turntrans-88.6-1.4176.9-54.2-73000113.3D19 F23D19-N21 PolarHBondContact O-N 3.31Å; D19-N21 VanDerWaalsContact O-N 3.13Å; D19-N21 WeakPolarHBondContact OD1-CB 3.4Å; D19-N21 PolarHBondContact OD1-N 3.04Å; D19-N21 PolarHBondContact OD1-ND2 3.08Å; N21-F23 PolarHBondContact O-N 2.82Å
22K94.3Very high83.9Confident88 Ų88120.2 Ų120.238%0.38362%0.616SS.*SBendtrans-63.1128.3178.5-174.3178.4174.7-171.30109.8E17 D19 E20 V24E17-K22 IonicContact OE1-NZ 2.74Å; E17-K22 PolarHBondContact OE1-NZ 2.97Å; E17-K22 IonicContact OE2-NZ 3.23Å; E17-K22 PolarHBondContact OE2-NZ 3.46Å; D19-K22 HydrophobicContact CB-CB 4.46Å; D19-K22 WeakPolarHBondContact O-CB 3.47Å; D19-K22 PolarHBondContact O-N 3.23Å; E20-K22 VanDerWaalsContact C-N 3.35Å; K22-V24 PolarHBondContact O-N 2.96Å
23F92.3Very high83.3Confident152 Ų152115.9 Ų115.967%0.66760%0.598SS**  trans-65.4130177.1179.5-92.6000110.9N21 D25N21-F23 PolarHBondContact O-N 2.82Å; F23-D25 WeakPolarHBondContact CE1-OD1 3.23Å
24V89.8Confident82.7Confident114 Ų114114.2 Ų114.269%0.69160%0.599SS**  trans-122.4133.4175.2-176.70000108.4K22K22-V24 PolarHBondContact O-N 2.96Å
25D86.6Confident82.6Confident63 Ų63110.6 Ų110.634%0.33758%0.583SS.*  trans-67143.2174.9-72.9-58.6000111.4F23 E27 R147F23-D25 WeakPolarHBondContact CE1-OD1 3.23Å; D25-E27 PolarHBondContact O-N 3.1Å; D25-R147 IonicContact OD1-CZ 2.75Å; D25-R147 IonicContact OD1-NE 3.32Å; D25-R147 PolarHBondContact OD1-NE 3.39Å; D25-R147 IonicContact OD1-NH2 2.74Å; D25-R147 PolarHBondContact OD1-NH2 3.3Å; D25-R147 VanDerWaalsContact OD1-NH2 3.14Å; D25-R147 IonicContact OD2-CZ 3.55Å; D25-R147 IonicContact OD2-NE 3.34Å; D25-R147 PolarHBondContact OD2-NE 3.07Å; D25-R147 IonicContact OD2-NH2 3.75Å; D25-R147 PolarHBondContact OD2-NH2 2.84Å
26E84.6Confident82.6Confident166 Ų166106.1 Ų106.178%0.77656%0.556SS**  trans-67.3115.9173.8-66.7178.1170.600111.2D28 K148E26-D28 PolarHBondContact O-N 3.48Å; E26-K148 WeakPolarHBondContact O-CE 3.35Å; E26-K148 PolarHBondContact O-NZ 3.19Å
27E68.7Low82.7Confident148 Ų148105 Ų10569%0.69255%0.55SS**  trans-81.397.2171-58-161.3155.200109.6D25 K66D25-E27 PolarHBondContact O-N 3.1Å; E27-K66 WeakPolarHBondContact OE1-CE 3.25Å; E27-K66 IonicContact OE1-NZ 3.14Å; E27-K66 PolarHBondContact OE1-NZ 3.27Å; E27-K66 IonicContact OE2-NZ 2.82Å; E27-K66 PolarHBondContact OE2-NZ 3.17Å
28D63Low82.8Confident115 Ų115103.4 Ų103.462%0.61554%0.543SS*.  trans-97.1121.5175.7-146.77.3000108.2E26 G30 K148E26-D28 PolarHBondContact O-N 3.48Å; D28-G30 PolarHBondContact O-N 2.91Å; D28-K148 VanDerWaalsContact CB-NZ 3.31Å
29G60.8Low83Confident73 Ų7397.9 Ų97.975%0.75354%0.535SS*.  trans-70.785.8-165.200000113.9
30G62.5Low83Confident10 Ų1098 Ų9810%0.10353%0.534CS..  trans-94.535.717200000114D28 N32 Q33 N64 T65D28-G30 PolarHBondContact O-N 2.91Å; G30-N32 PolarHBondContact O-N 3.08Å; G30-Q33 PolarHBondContact O-N 3.07Å; G30-Q33 VanDerWaalsContact O-N 3.13Å; G30-N64 VanDerWaalsContact CA-O 3.22Å; G30-N64 WeakPolarHBondContact CA-O 3.43Å; G30-N64 PolarHBondContact N-O 3.45Å; G30-T65 WeakPolarHBondContact O-CB 3.24Å
31E62.6Low83.2Confident174 Ų17488.7 Ų88.781%0.81349%0.49SS*.THydrogen-bonded Turntrans-59.3-20.1-172.1-64.3-168.9143.200113.8
32N67.9Low83.3Confident166 Ų16683.6 Ų83.689%0.88846%0.463SS*.THydrogen-bonded Turntrans-1009.6-178.9-69.2-30.6000115.3G30 G34G30-N32 PolarHBondContact O-N 3.08Å; N32-G34 PolarHBondContact O-N 3.38Å; N32-G34 VanDerWaalsContact O-N 3.11Å
33Q78Confident83.4Confident62 Ų6281.9 Ų81.929%0.2946%0.462SS..  trans-78.496.1174.8-67.5-175.8-1.400110.9G30 G35 P61 N64G30-Q33 PolarHBondContact O-N 3.07Å; G30-Q33 VanDerWaalsContact O-N 3.13Å; Q33-G35 VanDerWaalsContact C-N 3.28Å; Q33-G35 PolarHBondContact O-N 3.45Å; Q33-P61 PolarHBondContact OE1-O 3.48Å; Q33-N64 PolarHBondContact NE2-ND2 3.45Å
34G79.1Confident83.7Confident52 Ų5276 Ų7654%0.53644%0.437SS..  trans-77.8-5.2178.800000115.5N32N32-G34 PolarHBondContact O-N 3.38Å; N32-G34 VanDerWaalsContact O-N 3.11Å
35G89.9Confident83.9Confident16 Ų1671.9 Ų71.917%0.16541%0.411CS..  trans85-170.5-175.200000113.7Q33 N60Q33-G35 VanDerWaalsContact C-N 3.28Å; Q33-G35 PolarHBondContact O-N 3.45Å; G35-N60 CarbonylContact C-O 3.41Å; G35-N60 VanDerWaalsContact CA-O 3.3Å; G35-N60 WeakPolarHBondContact CA-O 3.3Å
36P93.6Very high84.4Confident6 Ų679.1 Ų79.14%0.03943%0.434CS..SBendtrans-63.4150.9178.424.3-33.7000113.1E38 V57 A74 L77P36-E38 PolarHBondContact O-N 3.44Å; P36-V57 HydrophobicContact CB-CG2 4.36Å; P36-V57 WeakPolarHBondContact CB-O 3.29Å; P36-V57 HydrophobicContact CG-CG2 4.17Å; P36-V57 WeakPolarHBondContact CG-O 3.25Å; P36-A74 HydrophobicContact CG-CB 4.11Å; P36-L77 HydrophobicContact CB-CD2 4.28Å; P36-L77 HydrophobicContact CG-CD2 4.02Å
37D94.9Very high84.9Confident90 Ų9077.6 Ų77.648%0.48143%0.427SS..  trans-75.4107.2177.1-172.1-23.7000110.5A39 E40 V41D37-A39 VanDerWaalsContact C-N 3.31Å; D37-A39 PolarHBondContact O-N 2.89Å; D37-A39 WeakPolarHBondContact OD1-CB 3.48Å; D37-A39 PolarHBondContact OD1-N 3.41Å; D37-E40 HydrophobicContact CB-CB 3.92Å; D37-E40 PolarHBondContact O-N 3.07Å; D37-E40 PolarHBondContact OD1-N 3.3Å; D37-V41 WeakPolarHBondContact O-CG2 3.39Å; D37-V41 PolarHBondContact O-N 3.42Å; D37-V41 VanDerWaalsContact O-N 3.08Å
38E94.8Very high86.1Confident72 Ų7272.9 Ų72.934%0.33642%0.418SS..Hα-helixtrans-63.3-35.1-179.5-176.3175.4-166.100112.9P36 V41 D42 R73 L77P36-E38 PolarHBondContact O-N 3.44Å; E38-V41 PolarHBondContact O-N 2.99Å; E38-D42 VanDerWaalsContact O-CB 3.29Å; E38-D42 WeakPolarHBondContact O-CB 3.41Å; E38-D42 PolarHBondContact O-N 3.42Å; E38-R73 IonicContact OE2-CZ 3.38Å; E38-R73 VanDerWaalsContact OE2-CZ 3.22Å; E38-R73 IonicContact OE2-NH1 3.19Å; E38-R73 PolarHBondContact OE2-NH1 2.86Å; E38-R73 IonicContact OE2-NH2 2.65Å; E38-R73 PolarHBondContact OE2-NH2 3.1Å; E38-L77 HydrophobicContact CB-CD2 4.1Å; E38-L77 HydrophobicContact CG-CD1 4.13Å; E38-L77 HydrophobicContact CG-CD2 4.43Å
39A95.4Very high87.6Confident70 Ų7071 Ų7158%0.57941%0.408SS*.Hα-helixtrans-71-38.9-179.700000111.2D37 S43D37-A39 VanDerWaalsContact C-N 3.31Å; D37-A39 PolarHBondContact O-N 2.89Å; D37-A39 WeakPolarHBondContact OD1-CB 3.48Å; D37-A39 PolarHBondContact OD1-N 3.41Å; A39-S43 VanDerWaalsContact O-CB 3.27Å; A39-S43 WeakPolarHBondContact O-CB 3.43Å; A39-S43 PolarHBondContact O-N 3.23Å
40E96.5Very high89.2Confident82 Ų8269.8 Ų69.838%0.38338%0.383SS..Hα-helixtrans-61.5-50.2173.3-175.4179.4-171.800110.7D37 D42 S43 L44 A56D37-E40 HydrophobicContact CB-CB 3.92Å; D37-E40 PolarHBondContact O-N 3.07Å; D37-E40 PolarHBondContact OD1-N 3.3Å; E40-D42 PolarHBondContact O-N 3.48Å; E40-S43 WeakPolarHBondContact O-CB 3.27Å; E40-S43 PolarHBondContact O-N 2.91Å; E40-L44 HydrophobicContact CG-CD1 4.05Å; E40-L44 WeakPolarHBondContact O-CG 3.49Å; E40-L44 PolarHBondContact O-N 3.25Å; E40-A56 HydrophobicContact CG-CB 4.26Å
41V97.1Very high90.8Very high0 Ų071.9 Ų71.90%039%0.394CS..Hα-helixtrans-61-47.2179.8172.90000111.3D37 E38 S43 L44 L45 A56 V57 L77 V81D37-V41 WeakPolarHBondContact O-CG2 3.39Å; D37-V41 PolarHBondContact O-N 3.42Å; D37-V41 VanDerWaalsContact O-N 3.08Å; E38-V41 PolarHBondContact O-N 2.99Å; V41-S43 VanDerWaalsContact C-N 3.32Å; V41-S43 PolarHBondContact O-N 2.93Å; V41-L44 PolarHBondContact O-N 3.25Å; V41-L45 HydrophobicContact CG1-CD1 4.17Å; V41-L45 HydrophobicContact CG1-CG 4.46Å; V41-L45 WeakPolarHBondContact O-CG 3.45Å; V41-L45 PolarHBondContact O-N 3.21Å; V41-A56 HydrophobicContact CG2-CB 3.89Å; V41-V57 HydrophobicContact CG1-CB 4.49Å; V41-V57 HydrophobicContact CG2-CB 3.89Å; V41-V57 HydrophobicContact CG2-CG2 4.24Å; V41-L77 HydrophobicContact CB-CD1 4.27Å; V41-L77 HydrophobicContact CB-CD2 4.14Å; V41-L77 HydrophobicContact CB-CG 4.41Å; V41-L77 HydrophobicContact CG1-CD1 3.83Å; V41-L77 HydrophobicContact CG1-CD2 4.35Å; V41-L77 HydrophobicContact CG1-CG 4.07Å; V41-L77 HydrophobicContact CG2-CD2 4.01Å; V41-V81 HydrophobicContact CG1-CG2 3.39Å
42D96.6Very high92.4Very high36 Ų3664.4 Ų64.419%0.19336%0.364CS..Hα-helixtrans-65.4-35.4180-85.37.5000112.7E38 E40 R46 K80E38-D42 VanDerWaalsContact O-CB 3.29Å; E38-D42 WeakPolarHBondContact O-CB 3.41Å; E38-D42 PolarHBondContact O-N 3.42Å; E40-D42 PolarHBondContact O-N 3.48Å; D42-R46 WeakPolarHBondContact O-CB 3.49Å; D42-R46 VanDerWaalsContact O-CG 3.24Å; D42-R46 WeakPolarHBondContact O-CG 3.25Å; D42-R46 PolarHBondContact O-N 3.01Å; D42-K80 VanDerWaalsContact CG-NZ 3.31Å; D42-K80 IonicContact OD1-NZ 2.99Å; D42-K80 PolarHBondContact OD1-NZ 3.47Å; D42-K80 IonicContact OD2-NZ 2.7Å; D42-K80 PolarHBondContact OD2-NZ 2.99Å
43S97.4Very high93.8Very high53 Ų5356.5 Ų56.537%0.37132%0.321SS..Hα-helixtrans-62.6-46.1173.6-173.70000111.3A39 E40 V41 L45 R46 Q47A39-S43 VanDerWaalsContact O-CB 3.27Å; A39-S43 WeakPolarHBondContact O-CB 3.43Å; A39-S43 PolarHBondContact O-N 3.23Å; E40-S43 WeakPolarHBondContact O-CB 3.27Å; E40-S43 PolarHBondContact O-N 2.91Å; V41-S43 VanDerWaalsContact C-N 3.32Å; V41-S43 PolarHBondContact O-N 2.93Å; S43-L45 PolarHBondContact O-N 3.39Å; S43-R46 PolarHBondContact O-N 2.9Å; S43-Q47 VanDerWaalsContact O-CG 3.25Å; S43-Q47 WeakPolarHBondContact O-CG 3.24Å; S43-Q47 PolarHBondContact O-N 3.23Å; S43-Q47 PolarHBondContact OG-NE2 3.31Å
44L97.3Very high94.7Very high27 Ų2753.6 Ų53.614%0.14131%0.308CS..Hα-helixtrans-65-39.9179-70.4163.9000112.2E40 V41 Q47 G48 N49 A53 A56E40-L44 HydrophobicContact CG-CD1 4.05Å; E40-L44 WeakPolarHBondContact O-CG 3.49Å; E40-L44 PolarHBondContact O-N 3.25Å; V41-L44 PolarHBondContact O-N 3.25Å; L44-Q47 PolarHBondContact O-N 3.05Å; L44-G48 PolarHBondContact O-N 3.49Å; L44-N49 HydrophobicContact CD2-CB 4.12Å; L44-N49 PolarHBondContact O-N 3.08Å; L44-A53 HydrophobicContact CB-CB 3.88Å; L44-A56 HydrophobicContact CD1-CB 3.72Å
45L95.9Very high95.6Very high28 Ų2855.2 Ų55.215%0.14730%0.301CS..Hα-helixtrans-61.6-45.4174.3-72.9176.5000111.8V41 S43 Q47 G48 M50 A53 V81 S84V41-L45 HydrophobicContact CG1-CD1 4.17Å; V41-L45 HydrophobicContact CG1-CG 4.46Å; V41-L45 WeakPolarHBondContact O-CG 3.45Å; V41-L45 PolarHBondContact O-N 3.21Å; S43-L45 PolarHBondContact O-N 3.39Å; L45-Q47 VanDerWaalsContact C-N 3.28Å; L45-Q47 PolarHBondContact O-N 3.41Å; L45-G48 PolarHBondContact O-N 2.9Å; L45-G48 VanDerWaalsContact O-N 3.08Å; L45-M50 HydrophobicContact CD2-CE 4.29Å; L45-M50 HydrophobicContact CD2-SD 3.91Å; L45-A53 HydrophobicContact CD2-CB 3.85Å; L45-A53 HydrophobicContact CG-CB 4.03Å; L45-V81 HydrophobicContact CD1-CG2 4.18Å; L45-V81 HydrophobicContact CD2-CG2 4.45Å; L45-S84 VanDerWaalsContact CD2-OG 3.25Å; L45-S84 WeakPolarHBondContact CD2-OG 3.49Å
46R95.9Very high95.9Very high215 Ų21554.7 Ų54.781%0.81130%0.296SS*.Hα-helixtrans-63.7-33177.5-72.6170.1-174.4-106.42.7112.8D42 S43 G48D42-R46 WeakPolarHBondContact O-CB 3.49Å; D42-R46 VanDerWaalsContact O-CG 3.24Å; D42-R46 WeakPolarHBondContact O-CG 3.25Å; D42-R46 PolarHBondContact O-N 3.01Å; S43-R46 PolarHBondContact O-N 2.9Å; R46-G48 PolarHBondContact O-N 2.96Å
47Q95.3Very high96.1Very high135 Ų13554.4 Ų54.463%0.63129%0.294SS*.THydrogen-bonded Turntrans-77.5-7.5176.4-68.717236.900113.3S43 L44 L45 N49S43-Q47 VanDerWaalsContact O-CG 3.25Å; S43-Q47 WeakPolarHBondContact O-CG 3.24Å; S43-Q47 PolarHBondContact O-N 3.23Å; S43-Q47 PolarHBondContact OG-NE2 3.31Å; L44-Q47 PolarHBondContact O-N 3.05Å; L45-Q47 VanDerWaalsContact C-N 3.28Å; L45-Q47 PolarHBondContact O-N 3.41Å; Q47-N49 VanDerWaalsContact C-N 3.25Å; Q47-N49 PolarHBondContact O-N 3.31Å
48G93.2Very high96.2Very high48 Ų4850.9 Ų50.950%0.49528%0.275SS..THydrogen-bonded Turntrans78.55.4-175.100000114.1L44 L45 R46 M50L44-G48 PolarHBondContact O-N 3.49Å; L45-G48 PolarHBondContact O-N 2.9Å; L45-G48 VanDerWaalsContact O-N 3.08Å; R46-G48 PolarHBondContact O-N 2.96Å; G48-M50 VanDerWaalsContact C-N 3.29Å; G48-M50 PolarHBondContact O-N 3.49Å
49N95.1Very high96.1Very high76 Ų7652.8 Ų52.841%0.40628%0.282SS..  trans-8374.1178.9-171.9-2.4000110.8L44 Q47 T51 G52 A53L44-N49 HydrophobicContact CD2-CB 4.12Å; L44-N49 PolarHBondContact O-N 3.08Å; Q47-N49 VanDerWaalsContact C-N 3.25Å; Q47-N49 PolarHBondContact O-N 3.31Å; N49-T51 PolarHBondContact O-N 3.5Å; N49-G52 PolarHBondContact O-N 2.99Å; N49-G52 PolarHBondContact OD1-N 2.7Å; N49-A53 PolarHBondContact O-N 3.04Å
50M95.4Very high95.9Very high48 Ų4854.8 Ų54.824%0.23628%0.283CS..Hα-helixtrans-62.3-43.6-175.3-59.6-63.8135.400112.4L45 G48 A53 L54 F85L45-M50 HydrophobicContact CD2-CE 4.29Å; L45-M50 HydrophobicContact CD2-SD 3.91Å; G48-M50 VanDerWaalsContact C-N 3.29Å; G48-M50 PolarHBondContact O-N 3.49Å; M50-A53 PolarHBondContact O-N 3.38Å; M50-L54 PolarHBondContact O-N 2.85Å; M50-F85 VanDerWaalsContact C-CZ 3.44Å; M50-F85 HydrophobicContact CB-CD1 4.31Å; M50-F85 HydrophobicContact CB-CD2 4.36Å; M50-F85 HydrophobicContact CB-CE1 3.74Å; M50-F85 HydrophobicContact CB-CE2 3.83Å; M50-F85 HydrophobicContact CB-CZ 3.52Å; M50-F85 VanDerWaalsContact O-CZ 3.24Å; M50-F85 WeakPolarHBondContact O-CZ 3.34Å
51T94.8Very high95.8Very high53 Ų5352.1 Ų52.133%0.32527%0.272SS..Hα-helixtrans-63.7-44177.9-52.80000111N49 A53 L54 H55N49-T51 PolarHBondContact O-N 3.5Å; T51-A53 VanDerWaalsContact C-N 3.32Å; T51-A53 PolarHBondContact O-N 2.69Å; T51-L54 WeakPolarHBondContact O-CB 3.33Å; T51-L54 PolarHBondContact O-N 2.81Å; T51-H55 PolarHBondContact O-CD2 3.31Å; T51-H55 VanDerWaalsContact O-CD2 3.22Å; T51-H55 PolarHBondContact O-N 3.05Å; T51-H55 VanDerWaalsContact O-N 3.07Å
52G96.4Very high95.6Very high18 Ų1852.1 Ų52.119%0.18627%0.272CS..Hα-helixtrans-57.7-44.5173.700000112.2N49 L54 H55 A56N49-G52 PolarHBondContact O-N 2.99Å; N49-G52 PolarHBondContact OD1-N 2.7Å; G52-L54 VanDerWaalsContact C-N 3.32Å; G52-L54 PolarHBondContact O-N 3.37Å; G52-H55 PolarHBondContact O-N 3.26Å; G52-A56 WeakPolarHBondContact O-CB 3.46Å; G52-A56 PolarHBondContact O-N 3.29Å
53A97.6Very high95.3Very high0 Ų052.5 Ų52.50%027%0.274CS..Hα-helixtrans-61.2-39.3177.500000112.4L44 L45 N49 M50 T51 A56 V57 V81L44-A53 HydrophobicContact CB-CB 3.88Å; L45-A53 HydrophobicContact CD2-CB 3.85Å; L45-A53 HydrophobicContact CG-CB 4.03Å; N49-A53 PolarHBondContact O-N 3.04Å; M50-A53 PolarHBondContact O-N 3.38Å; T51-A53 VanDerWaalsContact C-N 3.32Å; T51-A53 PolarHBondContact O-N 2.69Å; A53-A56 PolarHBondContact O-N 3.15Å; A53-V57 WeakPolarHBondContact O-CB 3.17Å; A53-V57 PolarHBondContact O-N 2.94Å; A53-V81 HydrophobicContact CB-CG1 4.25Å; A53-V81 HydrophobicContact CB-CG2 4.45Å
54L97.6Very high95Very high0 Ų052.8 Ų52.80%027%0.272CS..Hα-helixtrans-62.6-44.8174.5-179.567.2000112.1M50 T51 G52 V57 L58 V81 L82 F85 A93 L97 W127M50-L54 PolarHBondContact O-N 2.85Å; T51-L54 WeakPolarHBondContact O-CB 3.33Å; T51-L54 PolarHBondContact O-N 2.81Å; G52-L54 VanDerWaalsContact C-N 3.32Å; G52-L54 PolarHBondContact O-N 3.37Å; L54-V57 WeakPolarHBondContact O-CG1 3.19Å; L54-L58 HydrophobicContact CD1-CD1 4.1Å; L54-L58 HydrophobicContact CG-CD1 4.3Å; L54-L58 WeakPolarHBondContact O-CG 3.48Å; L54-L58 PolarHBondContact O-N 3.15Å; L54-V81 HydrophobicContact CB-CG1 4.42Å; L54-L82 HydrophobicContact CD1-CD2 3.9Å; L54-F85 HydrophobicContact CB-CE2 4.32Å; L54-F85 HydrophobicContact CB-CZ 4.15Å; L54-A93 HydrophobicContact CD2-CB 3.84Å; L54-L97 HydrophobicContact CD2-CD1 4.22Å; L54-L97 HydrophobicContact CD2-CD2 4.26Å; L54-L97 HydrophobicContact CD2-CG 4.34Å; L54-L97 HydrophobicContact CG-CD2 4.39Å; L54-W127 HydrophobicContact CD1-CH2 4.19Å; L54-W127 HydrophobicContact CD1-CZ3 4.31Å; L54-W127 HydrophobicContact CD2-CH2 4.07Å; L54-W127 HydrophobicContact CD2-CZ3 4.13Å
55H97Very high94.5Very high86 Ų8652 Ų5240%0.39827%0.268SS..Hα-helixtrans-65.3-41176.8-80-81.3000111.8T51 G52 K59 S96T51-H55 PolarHBondContact O-CD2 3.31Å; T51-H55 VanDerWaalsContact O-CD2 3.22Å; T51-H55 PolarHBondContact O-N 3.05Å; T51-H55 VanDerWaalsContact O-N 3.07Å; G52-H55 PolarHBondContact O-N 3.26Å; H55-K59 PolarHBondContact O-N 2.94Å; H55-S96 PolarHBondContact CE1-O 2.84Å; H55-S96 PolarHBondContact NE2-OG 3.47Å; H55-S96 VanDerWaalsContact NE2-OG 3.16Å
56A97.2Very high94.1Very high6 Ų657.7 Ų57.75%0.0529%0.292CS..Hα-helixtrans-65.9-41.7178.900000112.3E40 V41 L44 G52 A53 L58 K59E40-A56 HydrophobicContact CG-CB 4.26Å; V41-A56 HydrophobicContact CG2-CB 3.89Å; L44-A56 HydrophobicContact CD1-CB 3.72Å; G52-A56 WeakPolarHBondContact O-CB 3.46Å; G52-A56 PolarHBondContact O-N 3.29Å; A53-A56 PolarHBondContact O-N 3.15Å; A56-L58 VanDerWaalsContact C-N 3.29Å; A56-L58 PolarHBondContact O-N 3.43Å; A56-K59 VanDerWaalsContact O-CB 3.23Å; A56-K59 WeakPolarHBondContact O-CB 3.32Å; A56-K59 PolarHBondContact O-N 3.39Å; A56-K59 VanDerWaalsContact O-N 3.16Å
57V97.3Very high93.9Very high0 Ų051.5 Ų51.50%027%0.274CS..Hα-helixtrans-72.3-23.9-177.780.40000113.3P36 V41 A53 L54 K59 L77 V78 V81P36-V57 HydrophobicContact CB-CG2 4.36Å; P36-V57 WeakPolarHBondContact CB-O 3.29Å; P36-V57 HydrophobicContact CG-CG2 4.17Å; P36-V57 WeakPolarHBondContact CG-O 3.25Å; V41-V57 HydrophobicContact CG1-CB 4.49Å; V41-V57 HydrophobicContact CG2-CB 3.89Å; V41-V57 HydrophobicContact CG2-CG2 4.24Å; A53-V57 WeakPolarHBondContact O-CB 3.17Å; A53-V57 PolarHBondContact O-N 2.94Å; L54-V57 WeakPolarHBondContact O-CG1 3.19Å; V57-K59 VanDerWaalsContact C-N 3.3Å; V57-L77 HydrophobicContact CG2-CB 4.1Å; V57-L77 HydrophobicContact CG2-CD2 3.94Å; V57-L77 HydrophobicContact CG2-CG 3.67Å; V57-V78 HydrophobicContact CB-CG2 4.45Å; V57-V78 HydrophobicContact CG1-CG2 4.12Å; V57-V78 HydrophobicContact CG2-CB 4.3Å; V57-V78 HydrophobicContact CG2-CG2 3.6Å; V57-V81 HydrophobicContact CB-CG2 4.14Å; V57-V81 HydrophobicContact CG1-CB 4.21Å; V57-V81 HydrophobicContact CG1-CG1 4.24Å; V57-V81 HydrophobicContact CG1-CG2 4.16Å; V57-V81 HydrophobicContact CG2-CG2 4.29Å
58L96.6Very high93.7Very high16 Ų1650.5 Ų50.58%0.08427%0.27CS..THydrogen-bonded Turntrans-86.90.1174.5-64.8178.1000113L54 A56 L97 L104 L105 Y108L54-L58 HydrophobicContact CD1-CD1 4.1Å; L54-L58 HydrophobicContact CG-CD1 4.3Å; L54-L58 WeakPolarHBondContact O-CG 3.48Å; L54-L58 PolarHBondContact O-N 3.15Å; A56-L58 VanDerWaalsContact C-N 3.29Å; A56-L58 PolarHBondContact O-N 3.43Å; L58-L97 HydrophobicContact CD1-CD1 3.91Å; L58-L97 HydrophobicContact CD1-CD2 3.88Å; L58-L104 HydrophobicContact CB-CD2 4.17Å; L58-L104 HydrophobicContact CD2-CD2 4.26Å; L58-L104 HydrophobicContact CD2-CG 4.21Å; L58-L104 VanDerWaalsContact O-CD2 3.25Å; L58-L104 WeakPolarHBondContact O-CD2 3.42Å; L58-L105 HydrophobicContact CD1-CB 4.3Å; L58-Y108 HydrophobicContact CD2-CD2 3.84Å; L58-Y108 HydrophobicContact CD2-CE2 4.11Å
59K93.4Very high93.6Very high111 Ų11153.9 Ų53.948%0.48328%0.276SS..SBendtrans-83.2138.3178-166.8178.6175.5-173.30110.6H55 A56 V57H55-K59 PolarHBondContact O-N 2.94Å; A56-K59 VanDerWaalsContact O-CB 3.23Å; A56-K59 WeakPolarHBondContact O-CB 3.32Å; A56-K59 PolarHBondContact O-N 3.39Å; A56-K59 VanDerWaalsContact O-N 3.16Å; V57-K59 VanDerWaalsContact C-N 3.3Å
60N91Very high93.5Very high113 Ų11350.7 Ų50.760%0.60426%0.261SS*.SBendtrans52.254.7177.5-56.2-35.8000114.3G35G35-N60 CarbonylContact C-O 3.41Å; G35-N60 VanDerWaalsContact CA-O 3.3Å; G35-N60 WeakPolarHBondContact CA-O 3.3Å
61P93Very high93.4Very high25 Ų2549.6 Ų49.616%0.16226%0.255CS..  trans-63.2141.7178.930.6-38000111.2Q33 I63 L104 Y108 V150Q33-P61 PolarHBondContact OE1-O 3.48Å; P61-I63 HydrophobicContact CB-CD1 4.11Å; P61-I63 HydrophobicContact CB-CG1 3.96Å; P61-I63 HydrophobicContact CG-CD1 3.61Å; P61-I63 HydrophobicContact CG-CG1 3.94Å; P61-I63 PolarHBondContact O-N 2.85Å; P61-L104 HydrophobicContact CB-CD1 3.94Å; P61-L104 HydrophobicContact CB-CD2 4.07Å; P61-L104 HydrophobicContact CG-CD1 4.01Å; P61-L104 HydrophobicContact CG-CD2 3.76Å; P61-Y108 HydrophobicContact CB-CE2 4.41Å; P61-V150 HydrophobicContact CB-CG1 4.06Å
62P93.6Very high93.4Very high0 Ų049.2 Ų49.20%025%0.251CS..  trans-77.559.2-177.733.8-35.7000112.4T65 A70 K71 A74 Y108P62-T65 HydrophobicContact CB-CG2 3.64Å; P62-T65 WeakPolarHBondContact O-CG2 3.46Å; P62-A70 HydrophobicContact CB-CB 4.44Å; P62-K71 HydrophobicContact CB-CG 4.33Å; P62-K71 HydrophobicContact CG-CG 4.15Å; P62-K71 WeakPolarHBondContact O-CE 3.42Å; P62-A74 HydrophobicContact CG-CB 3.76Å; P62-Y108 WeakPolarHBondContact CD-OH 3.3Å
63I91.5Very high93.3Very high45 Ų4553.6 Ų53.623%0.23126%0.262CS..  trans-77.3-38.1-174.4-64.6174.6000111.9P61 L104 K148 V150P61-I63 HydrophobicContact CB-CD1 4.11Å; P61-I63 HydrophobicContact CB-CG1 3.96Å; P61-I63 HydrophobicContact CG-CD1 3.61Å; P61-I63 HydrophobicContact CG-CG1 3.94Å; P61-I63 PolarHBondContact O-N 2.85Å; I63-L104 HydrophobicContact CD1-CD1 4.28Å; I63-K148 HydrophobicContact CG2-CB 3.68Å; I63-V150 HydrophobicContact CG1-CG1 4Å
64N89.4Confident93.2Very high59 Ų5953.8 Ų53.832%0.31626%0.263SS..SBendtrans-97.48.2-172.5-63-31.2000113.5G30 Q33 K148G30-N64 VanDerWaalsContact CA-O 3.22Å; G30-N64 WeakPolarHBondContact CA-O 3.43Å; G30-N64 PolarHBondContact N-O 3.45Å; Q33-N64 PolarHBondContact NE2-ND2 3.45Å; N64-K148 WeakPolarHBondContact OD1-CD 3.18Å
65T88.3Confident93.1Very high10 Ų1054.1 Ų54.16%0.06127%0.265CS..  trans-97.9145.3175.9-1730000111.3G30 P62 N67 A70 K71G30-T65 WeakPolarHBondContact O-CB 3.24Å; P62-T65 HydrophobicContact CB-CG2 3.64Å; P62-T65 WeakPolarHBondContact O-CG2 3.46Å; T65-N67 VanDerWaalsContact C-N 3.28Å; T65-N67 HydrophobicContact CG2-CB 4.34Å; T65-N67 VanDerWaalsContact OG1-CB 3.3Å; T65-N67 WeakPolarHBondContact OG1-CB 3.35Å; T65-N67 PolarHBondContact OG1-N 3.33Å; T65-N67 VanDerWaalsContact OG1-N 3.1Å; T65-A70 HydrophobicContact CG2-CB 4.38Å; T65-K71 HydrophobicContact CG2-CG 4.32Å; T65-K71 WeakPolarHBondContact O-CE 3.43Å
66K87.5Confident93Very high148 Ų14855.8 Ų55.864%0.64328%0.276SS*.  trans-83.9-6.8168-64-177.3-178.6177.50112.2E27 Q68E27-K66 WeakPolarHBondContact OE1-CE 3.25Å; E27-K66 IonicContact OE1-NZ 3.14Å; E27-K66 PolarHBondContact OE1-NZ 3.27Å; E27-K66 IonicContact OE2-NZ 2.82Å; E27-K66 PolarHBondContact OE2-NZ 3.17Å; K66-Q68 PolarHBondContact O-N 3.36Å
67N90Very high93Very high84 Ų8455.9 Ų55.945%0.44928%0.275SS..  trans-72.398.6-177.8-174.3-10.7000111.2T65 N69 A70 K71T65-N67 VanDerWaalsContact C-N 3.28Å; T65-N67 HydrophobicContact CG2-CB 4.34Å; T65-N67 VanDerWaalsContact OG1-CB 3.3Å; T65-N67 WeakPolarHBondContact OG1-CB 3.35Å; T65-N67 PolarHBondContact OG1-N 3.33Å; T65-N67 VanDerWaalsContact OG1-N 3.1Å; N67-N69 PolarHBondContact O-N 2.84Å; N67-N69 WeakPolarHBondContact OD1-CB 3.29Å; N67-N69 PolarHBondContact OD1-N 3.36Å; N67-A70 HydrophobicContact CB-CB 4.15Å; N67-A70 PolarHBondContact O-N 2.93Å; N67-A70 PolarHBondContact OD1-N 3.16Å; N67-K71 PolarHBondContact O-N 2.73Å
68Q91.8Very high93Very high114 Ų11455.9 Ų55.953%0.53328%0.276SS..Hα-helixtrans-59.9-32178.1-70-61.8-15.600113.2K66 A70 K71 D72K66-Q68 PolarHBondContact O-N 3.36Å; Q68-A70 PolarHBondContact O-N 3.09Å; Q68-K71 WeakPolarHBondContact O-CB 3.45Å; Q68-K71 PolarHBondContact O-N 3.11Å; Q68-D72 WeakPolarHBondContact O-CB 3.48Å; Q68-D72 PolarHBondContact O-N 3.24Å
69N92Very high92.9Very high119 Ų11956 Ų5664%0.63628%0.277SS*.Hα-helixtrans-67.5-36.9178.9-170.352.3000112.2N67 K71 R73N67-N69 PolarHBondContact O-N 2.84Å; N67-N69 WeakPolarHBondContact OD1-CB 3.29Å; N67-N69 PolarHBondContact OD1-N 3.36Å; N69-K71 VanDerWaalsContact C-N 3.34Å; N69-R73 VanDerWaalsContact O-CB 3.26Å; N69-R73 WeakPolarHBondContact O-CB 3.46Å; N69-R73 PolarHBondContact O-N 3.4Å
70A92.1Very high93Very high10 Ų1055.1 Ų55.18%0.08327%0.273CS..Hα-helixtrans-65.6-41174.900000111.3P62 T65 N67 Q68 A74P62-A70 HydrophobicContact CB-CB 4.44Å; T65-A70 HydrophobicContact CG2-CB 4.38Å; N67-A70 HydrophobicContact CB-CB 4.15Å; N67-A70 PolarHBondContact O-N 2.93Å; N67-A70 PolarHBondContact OD1-N 3.16Å; Q68-A70 PolarHBondContact O-N 3.09Å; A70-A74 WeakPolarHBondContact O-CB 3.3Å; A70-A74 PolarHBondContact O-N 3.04Å
71K94.4Very high93.3Very high24 Ų2449.7 Ų49.710%0.10424%0.244CC..Hα-helixtrans-61.3-51175-70.2-168.9167.9-158.50111.8P62 T65 N67 Q68 N69 R73 A74 E75 R111 T149 V150P62-K71 HydrophobicContact CB-CG 4.33Å; P62-K71 HydrophobicContact CG-CG 4.15Å; P62-K71 WeakPolarHBondContact O-CE 3.42Å; T65-K71 HydrophobicContact CG2-CG 4.32Å; T65-K71 WeakPolarHBondContact O-CE 3.43Å; N67-K71 PolarHBondContact O-N 2.73Å; Q68-K71 WeakPolarHBondContact O-CB 3.45Å; Q68-K71 PolarHBondContact O-N 3.11Å; N69-K71 VanDerWaalsContact C-N 3.34Å; K71-R73 PolarHBondContact O-N 2.86Å; K71-A74 PolarHBondContact O-N 3.06Å; K71-E75 PolarHBondContact O-N 2.65Å; K71-R111 VanDerWaalsContact CB-NH2 3.29Å; K71-R111 PolarHBondContact O-NH1 3.4Å; K71-R111 PolarHBondContact O-NH2 2.86Å; K71-T149 PolarHBondContact NZ-O 3.29Å; K71-V150 VanDerWaalsContact CB-OXT 3.3Å; K71-V150 WeakPolarHBondContact CB-OXT 3.47Å; K71-V150 WeakPolarHBondContact CD-OXT 3.19Å; K71-V150 WeakPolarHBondContact CG-OXT 2.93Å
72D94.4Very high93.5Very high46 Ų4648.5 Ų48.525%0.24624%0.236CC..Hα-helixtrans-63.5-40179.9-75.8-18.7000111.7Q68 E75 L76 R111 K115Q68-D72 WeakPolarHBondContact O-CB 3.48Å; Q68-D72 PolarHBondContact O-N 3.24Å; D72-E75 WeakPolarHBondContact O-CB 3.44Å; D72-E75 PolarHBondContact O-N 3.19Å; D72-L76 WeakPolarHBondContact O-CG 3.2Å; D72-L76 PolarHBondContact O-N 3.4Å; D72-R111 VanDerWaalsContact N-NH2 3.1Å; D72-R111 IonicContact OD1-CZ 3.22Å; D72-R111 IonicContact OD1-NH2 2.68Å; D72-R111 PolarHBondContact OD1-NH2 3.19Å; D72-K115 IonicContact OD1-NZ 2.77Å; D72-K115 PolarHBondContact OD1-NZ 2.92Å; D72-K115 IonicContact OD2-NZ 2.67Å
73R94.1Very high93.5Very high110 Ų11051.3 Ų51.342%0.41526%0.256SS..Hα-helixtrans-61.8-44174.5177.4-178.3139.2108.56.6111.9E38 N69 K71 L77E38-R73 IonicContact OE2-CZ 3.38Å; E38-R73 VanDerWaalsContact OE2-CZ 3.22Å; E38-R73 IonicContact OE2-NH1 3.19Å; E38-R73 PolarHBondContact OE2-NH1 2.86Å; E38-R73 IonicContact OE2-NH2 2.65Å; E38-R73 PolarHBondContact OE2-NH2 3.1Å; N69-R73 VanDerWaalsContact O-CB 3.26Å; N69-R73 WeakPolarHBondContact O-CB 3.46Å; N69-R73 PolarHBondContact O-N 3.4Å; K71-R73 PolarHBondContact O-N 2.86Å; R73-L77 WeakPolarHBondContact O-CB 3.48Å; R73-L77 PolarHBondContact O-N 3.24Å; R73-L77 VanDerWaalsContact O-N 3.11Å
74A95.8Very high93.7Very high3 Ų351.6 Ų51.63%0.02526%0.262CS..Hα-helixtrans-63.6-43.7176.500000111.4P36 P62 A70 K71 L77 V78 Y108P36-A74 HydrophobicContact CG-CB 4.11Å; P62-A74 HydrophobicContact CG-CB 3.76Å; A70-A74 WeakPolarHBondContact O-CB 3.3Å; A70-A74 PolarHBondContact O-N 3.04Å; K71-A74 PolarHBondContact O-N 3.06Å; A74-L77 PolarHBondContact O-N 3.22Å; A74-V78 WeakPolarHBondContact O-CG2 3.36Å; A74-V78 PolarHBondContact O-N 3.42Å; A74-Y108 HydrophobicContact CB-CE1 4.32Å
75E95.4Very high94Very high7 Ų749.8 Ų49.83%0.03325%0.251CS..Hα-helixtrans-55.5-53.2175.1-177.8-157.9149.500111.5K71 D72 L77 V78 V79 R111 K115K71-E75 PolarHBondContact O-N 2.65Å; D72-E75 WeakPolarHBondContact O-CB 3.44Å; D72-E75 PolarHBondContact O-N 3.19Å; E75-L77 VanDerWaalsContact C-N 3.27Å; E75-L77 PolarHBondContact O-N 3.07Å; E75-V78 PolarHBondContact O-N 3.36Å; E75-V78 VanDerWaalsContact O-N 3.14Å; E75-V79 WeakPolarHBondContact O-CG2 3.22Å; E75-V79 PolarHBondContact O-N 3.08Å; E75-R111 HydrophobicContact CG-CG 3.97Å; E75-R111 IonicContact OE2-CZ 3.4Å; E75-R111 IonicContact OE2-NE 3.42Å; E75-R111 PolarHBondContact OE2-NE 3.45Å; E75-R111 IonicContact OE2-NH2 3.87Å; E75-K115 IonicContact OE2-NZ 2.61Å
76L94.9Very high94.3Very high121 Ų12156.3 Ų56.363%0.63428%0.279SS*.Hα-helixtrans-58.7-40.7-179.8-71.7173.5000111.9D72 V79 K80D72-L76 WeakPolarHBondContact O-CG 3.2Å; D72-L76 PolarHBondContact O-N 3.4Å; L76-V79 PolarHBondContact O-N 3.13Å; L76-K80 VanDerWaalsContact O-CB 3.3Å; L76-K80 WeakPolarHBondContact O-CB 3.35Å; L76-K80 PolarHBondContact O-N 3.08Å
77L96.4Very high94.6Very high8 Ų852.5 Ų52.54%0.04227%0.271CS..Hα-helixtrans-67-41.5177.9-17062000111.7P36 E38 V41 V57 R73 A74 E75 K80 V81P36-L77 HydrophobicContact CB-CD2 4.28Å; P36-L77 HydrophobicContact CG-CD2 4.02Å; E38-L77 HydrophobicContact CB-CD2 4.1Å; E38-L77 HydrophobicContact CG-CD1 4.13Å; E38-L77 HydrophobicContact CG-CD2 4.43Å; V41-L77 HydrophobicContact CB-CD1 4.27Å; V41-L77 HydrophobicContact CB-CD2 4.14Å; V41-L77 HydrophobicContact CB-CG 4.41Å; V41-L77 HydrophobicContact CG1-CD1 3.83Å; V41-L77 HydrophobicContact CG1-CD2 4.35Å; V41-L77 HydrophobicContact CG1-CG 4.07Å; V41-L77 HydrophobicContact CG2-CD2 4.01Å; V57-L77 HydrophobicContact CG2-CB 4.1Å; V57-L77 HydrophobicContact CG2-CD2 3.94Å; V57-L77 HydrophobicContact CG2-CG 3.67Å; R73-L77 WeakPolarHBondContact O-CB 3.48Å; R73-L77 PolarHBondContact O-N 3.24Å; R73-L77 VanDerWaalsContact O-N 3.11Å; A74-L77 PolarHBondContact O-N 3.22Å; E75-L77 VanDerWaalsContact C-N 3.27Å; E75-L77 PolarHBondContact O-N 3.07Å; L77-K80 HydrophobicContact CD1-CD 4.3Å; L77-K80 WeakPolarHBondContact O-CB 3.46Å; L77-K80 PolarHBondContact O-N 3.21Å; L77-V81 WeakPolarHBondContact O-CG2 3.45Å; L77-V81 PolarHBondContact O-N 3.24Å
78V96.7Very high94.9Very high1 Ų153 Ų531%0.00628%0.281CS..Hα-helixtrans-61.4-51.6174.4174.70000110V57 A74 E75 K80 V81 L82 Y108V57-V78 HydrophobicContact CB-CG2 4.45Å; V57-V78 HydrophobicContact CG1-CG2 4.12Å; V57-V78 HydrophobicContact CG2-CB 4.3Å; V57-V78 HydrophobicContact CG2-CG2 3.6Å; A74-V78 WeakPolarHBondContact O-CG2 3.36Å; A74-V78 PolarHBondContact O-N 3.42Å; E75-V78 PolarHBondContact O-N 3.36Å; E75-V78 VanDerWaalsContact O-N 3.14Å; V78-K80 VanDerWaalsContact C-N 3.25Å; V78-K80 PolarHBondContact O-N 3.27Å; V78-V81 PolarHBondContact O-N 3.38Å; V78-L82 HydrophobicContact CG1-CD1 3.98Å; V78-L82 HydrophobicContact CG1-CG 4.01Å; V78-L82 WeakPolarHBondContact O-CG 3.19Å; V78-L82 PolarHBondContact O-N 3.5Å; V78-Y108 HydrophobicContact CB-CD1 4.17Å; V78-Y108 HydrophobicContact CB-CG 4.2Å; V78-Y108 HydrophobicContact CG1-CD1 4.42Å; V78-Y108 HydrophobicContact CG1-CD2 4.42Å; V78-Y108 HydrophobicContact CG1-CG 3.98Å; V78-Y108 HydrophobicContact CG2-CD1 3.85Å; V78-Y108 HydrophobicContact CG2-CD2 3.95Å; V78-Y108 HydrophobicContact CG2-CE1 3.92Å; V78-Y108 HydrophobicContact CG2-CE2 4Å; V78-Y108 HydrophobicContact CG2-CG 3.87Å
79V95.5Very high95Very high18 Ų1851 Ų5111%0.10927%0.274CS..Hα-helixtrans-59.4-37.8-179.5174.60000111.4E75 L76 L82 S83E75-V79 WeakPolarHBondContact O-CG2 3.22Å; E75-V79 PolarHBondContact O-N 3.08Å; L76-V79 PolarHBondContact O-N 3.13Å; V79-L82 PolarHBondContact O-N 2.83Å; V79-S83 VanDerWaalsContact O-CB 3.29Å; V79-S83 WeakPolarHBondContact O-CB 3.48Å; V79-S83 PolarHBondContact O-N 2.88Å; V79-S83 PolarHBondContact O-OG 3.25Å
80K95.3Very high95.3Very high92 Ų9245.4 Ų45.440%0.424%0.244SC..Hα-helixtrans-59.5-47.6173.2179.2-174179.4-172.40111.8D42 L76 L77 V78 S83 S84D42-K80 VanDerWaalsContact CG-NZ 3.31Å; D42-K80 IonicContact OD1-NZ 2.99Å; D42-K80 PolarHBondContact OD1-NZ 3.47Å; D42-K80 IonicContact OD2-NZ 2.7Å; D42-K80 PolarHBondContact OD2-NZ 2.99Å; L76-K80 VanDerWaalsContact O-CB 3.3Å; L76-K80 WeakPolarHBondContact O-CB 3.35Å; L76-K80 PolarHBondContact O-N 3.08Å; L77-K80 HydrophobicContact CD1-CD 4.3Å; L77-K80 WeakPolarHBondContact O-CB 3.46Å; L77-K80 PolarHBondContact O-N 3.21Å; V78-K80 VanDerWaalsContact C-N 3.25Å; V78-K80 PolarHBondContact O-N 3.27Å; K80-S83 PolarHBondContact O-N 3.16Å; K80-S84 PolarHBondContact O-N 3.46Å
81V97Very high95.5Very high0 Ų051 Ų510%027%0.268CS..Hα-helixtrans-63.6-47.5176.4173.60000110.6V41 L45 A53 L54 V57 L77 V78 S83 S84 F85V41-V81 HydrophobicContact CG1-CG2 3.39Å; L45-V81 HydrophobicContact CD1-CG2 4.18Å; L45-V81 HydrophobicContact CD2-CG2 4.45Å; A53-V81 HydrophobicContact CB-CG1 4.25Å; A53-V81 HydrophobicContact CB-CG2 4.45Å; L54-V81 HydrophobicContact CB-CG1 4.42Å; V57-V81 HydrophobicContact CB-CG2 4.14Å; V57-V81 HydrophobicContact CG1-CB 4.21Å; V57-V81 HydrophobicContact CG1-CG1 4.24Å; V57-V81 HydrophobicContact CG1-CG2 4.16Å; V57-V81 HydrophobicContact CG2-CG2 4.29Å; L77-V81 WeakPolarHBondContact O-CG2 3.45Å; L77-V81 PolarHBondContact O-N 3.24Å; V78-V81 PolarHBondContact O-N 3.38Å; V81-S83 PolarHBondContact O-N 3.37Å; V81-S84 PolarHBondContact O-N 3.1Å; V81-S84 VanDerWaalsContact O-N 3.1Å; V81-S84 PolarHBondContact O-OG 3.37Å; V81-F85 HydrophobicContact CG1-CE2 3.99Å; V81-F85 VanDerWaalsContact O-CD2 3.3Å; V81-F85 WeakPolarHBondContact O-CD2 3.33Å
82L96.6Very high95.5Very high0 Ų058.1 Ų58.10%030%0.299CS..Hα-helixtrans-60.1-35.2179.5-61-171.9000112.1L54 V78 V79 L105 I109 V123 L124 W127L54-L82 HydrophobicContact CD1-CD2 3.9Å; V78-L82 HydrophobicContact CG1-CD1 3.98Å; V78-L82 HydrophobicContact CG1-CG 4.01Å; V78-L82 WeakPolarHBondContact O-CG 3.19Å; V78-L82 PolarHBondContact O-N 3.5Å; V79-L82 PolarHBondContact O-N 2.83Å; L82-L105 HydrophobicContact CD1-CD1 4.09Å; L82-L105 HydrophobicContact CD2-CD1 3.8Å; L82-I109 HydrophobicContact CD1-CG1 4.26Å; L82-V123 WeakPolarHBondContact O-CG1 3.4Å; L82-L124 HydrophobicContact CD1-CD2 3.71Å; L82-W127 HydrophobicContact CB-CD2 4.39Å; L82-W127 HydrophobicContact CB-CG 4.44Å; L82-W127 HydrophobicContact CB-CZ2 4.27Å; L82-W127 HydrophobicContact CD1-CD2 4.47Å; L82-W127 HydrophobicContact CD1-CG 4.36Å; L82-W127 HydrophobicContact CD2-CD2 3.69Å; L82-W127 HydrophobicContact CD2-CE3 3.81Å; L82-W127 HydrophobicContact CD2-CG 4.38Å; L82-W127 HydrophobicContact CD2-CH2 3.66Å; L82-W127 HydrophobicContact CD2-CZ2 3.54Å; L82-W127 HydrophobicContact CD2-CZ3 3.79Å; L82-W127 HydrophobicContact CG-CD2 4.37Å; L82-W127 HydrophobicContact CG-CZ2 4.47Å; L82-W127 PolarHBondContact O-NE1 3.27Å
83S94.9Very high95.7Very high59 Ų5956 Ų5641%0.41329%0.288SS..Hα-helixtrans-75-18.9178.6-56.30000114.3V79 K80 V81V79-S83 VanDerWaalsContact O-CB 3.29Å; V79-S83 WeakPolarHBondContact O-CB 3.48Å; V79-S83 PolarHBondContact O-N 2.88Å; V79-S83 PolarHBondContact O-OG 3.25Å; K80-S83 PolarHBondContact O-N 3.16Å; V81-S83 PolarHBondContact O-N 3.37Å
84S94.7Very high95.9Very high51 Ų5150.7 Ų50.736%0.35727%0.268SS..Hα-helixtrans-83.8-11.4177.668.90000113.6L45 K80 V81L45-S84 VanDerWaalsContact CD2-OG 3.25Å; L45-S84 WeakPolarHBondContact CD2-OG 3.49Å; K80-S84 PolarHBondContact O-N 3.46Å; V81-S84 PolarHBondContact O-N 3.1Å; V81-S84 VanDerWaalsContact O-N 3.1Å; V81-S84 PolarHBondContact O-OG 3.37Å
85F96.1Very high95.9Very high20 Ų2053.1 Ų53.19%0.08829%0.293CS..SBendtrans-76146177.8-86.8-104000112.1M50 L54 V81 D89 I90 A93 W127M50-F85 VanDerWaalsContact C-CZ 3.44Å; M50-F85 HydrophobicContact CB-CD1 4.31Å; M50-F85 HydrophobicContact CB-CD2 4.36Å; M50-F85 HydrophobicContact CB-CE1 3.74Å; M50-F85 HydrophobicContact CB-CE2 3.83Å; M50-F85 HydrophobicContact CB-CZ 3.52Å; M50-F85 VanDerWaalsContact O-CZ 3.24Å; M50-F85 WeakPolarHBondContact O-CZ 3.34Å; L54-F85 HydrophobicContact CB-CE2 4.32Å; L54-F85 HydrophobicContact CB-CZ 4.15Å; V81-F85 HydrophobicContact CG1-CE2 3.99Å; V81-F85 VanDerWaalsContact O-CD2 3.3Å; V81-F85 WeakPolarHBondContact O-CD2 3.33Å; F85-D89 HydrophobicContact CD1-CB 4.16Å; F85-I90 HydrophobicContact CB-CG1 4.21Å; F85-A93 HydrophobicContact CD1-CB 4.22Å; F85-A93 HydrophobicContact CE1-CB 3.45Å; F85-A93 VanDerWaalsContact CE1-CB 3.45Å; F85-A93 HydrophobicContact CZ-CB 3.94Å; F85-W127 HydrophobicContact CB-CZ2 3.79Å; F85-W127 HydrophobicContact CD1-CH2 4.27Å; F85-W127 HydrophobicContact CD1-CZ2 4.12Å; F85-W127 HydrophobicContact CD2-CH2 4.06Å; F85-W127 AromaticContact CD2-CZ2 3.61Å; F85-W127 HydrophobicContact CD2-CZ2 3.61Å; F85-W127 HydrophobicContact CE1-CH2 4.36Å; F85-W127 HydrophobicContact CE2-CH2 4.13Å; F85-W127 HydrophobicContact CE2-CZ2 4.13Å; F85-W127 HydrophobicContact CG-CH2 4.11Å; F85-W127 AromaticContact CG-CZ2 3.57Å; F85-W127 HydrophobicContact CG-CZ2 3.57Å; F85-W127 HydrophobicContact CZ-CH2 4.25Å
86K94.6Very high96Very high148 Ų14855.1 Ų55.164%0.64331%0.308SS*.  trans-79.8143.8163.2-61.6177.1-176.9175.10108.9S88 D89K86-S88 PolarHBondContact O-N 2.94Å; K86-S88 VanDerWaalsContact O-N 3.09Å; K86-D89 PolarHBondContact O-N 3.35Å
87S93.9Very high96.1Very high68 Ų6850.2 Ų50.248%0.47628%0.282SS..Hα-helixtrans-57.5-29.4-178.9-51.10000113.5D89 Q126S87-D89 PolarHBondContact O-N 3.43Å; S87-Q126 PolarHBondContact OG-NE2 3.2Å; S87-Q126 PolarHBondContact OG-OE1 3.02Å
88S95.4Very high96.1Very high93 Ų9355 Ų5565%0.6531%0.308SS*.Hα-helixtrans-65.1-24.8175.157.20000114.2K86K86-S88 PolarHBondContact O-N 2.94Å; K86-S88 VanDerWaalsContact O-N 3.09Å
89D95.7Very high96.1Very high73 Ų7362.3 Ų62.339%0.3934%0.339SS..Hα-helixtrans-101-12.7-169.2-56.8-19.9000112F85 K86 S87 E91 K92 A93F85-D89 HydrophobicContact CD1-CB 4.16Å; K86-D89 PolarHBondContact O-N 3.35Å; S87-D89 PolarHBondContact O-N 3.43Å; D89-E91 PolarHBondContact O-N 2.91Å; D89-K92 PolarHBondContact O-N 3.18Å; D89-A93 WeakPolarHBondContact O-CB 3.49Å; D89-A93 PolarHBondContact O-N 3.39Å
90I97.1Very high96.2Very high2 Ų264.4 Ų64.41%0.0136%0.359CS..Hα-helixtrans-59.7-48-176.9-63.4178000111.1F85 K92 A93 V94 Q126 W127 K130F85-I90 HydrophobicContact CB-CG1 4.21Å; I90-K92 VanDerWaalsContact C-N 3.34Å; I90-K92 PolarHBondContact O-N 3.15Å; I90-A93 WeakPolarHBondContact O-CB 3.49Å; I90-A93 PolarHBondContact O-N 2.8Å; I90-A93 VanDerWaalsContact O-N 3.08Å; I90-V94 HydrophobicContact CG2-CG2 4.18Å; I90-V94 WeakPolarHBondContact O-CG2 3.43Å; I90-V94 PolarHBondContact O-N 2.98Å; I90-Q126 HydrophobicContact CD1-CB 4.04Å; I90-W127 HydrophobicContact CD1-CD2 4.42Å; I90-W127 HydrophobicContact CD1-CG 4.36Å; I90-W127 HydrophobicContact CG1-CD2 4.41Å; I90-W127 HydrophobicContact CG1-CZ2 4.1Å; I90-W127 HydrophobicContact CG2-CD2 3.68Å; I90-W127 HydrophobicContact CG2-CE3 3.69Å; I90-W127 HydrophobicContact CG2-CG 4.19Å; I90-W127 HydrophobicContact CG2-CH2 4.41Å; I90-W127 HydrophobicContact CG2-CZ2 4.4Å; I90-W127 HydrophobicContact CG2-CZ3 4.07Å; I90-K130 HydrophobicContact CB-CG 4.48Å; I90-K130 HydrophobicContact CG2-CB 3.98Å; I90-K130 HydrophobicContact CG2-CG 3.79Å
91E95.6Very high96.3Very high127 Ų12760.4 Ų60.459%0.59334%0.343SS*.Hα-helixtrans-60-45-176.1-175.9173.3168.100111.8D89 A93 G95 K130D89-E91 PolarHBondContact O-N 2.91Å; E91-A93 VanDerWaalsContact C-N 3.32Å; E91-A93 PolarHBondContact O-N 3.37Å; E91-G95 PolarHBondContact O-N 3.39Å; E91-K130 HydrophobicContact CB-CD 4.29Å; E91-K130 HydrophobicContact CB-CG 4.39Å
92K96.3Very high96.4Very high173 Ų17360.5 Ų60.575%0.75234%0.344SS*.Hα-helixtrans-63.8-38.8175.6-174.7-177.9177.4-175.30111.8D89 I90 G95 S96D89-K92 PolarHBondContact O-N 3.18Å; I90-K92 VanDerWaalsContact C-N 3.34Å; I90-K92 PolarHBondContact O-N 3.15Å; K92-G95 PolarHBondContact O-N 3.01Å; K92-S96 PolarHBondContact O-N 3.18Å
93A97.4Very high96.4Very high1 Ų161.3 Ų61.31%0.00835%0.348CS..Hα-helixtrans-65.9-48179.700000111.7L54 F85 D89 I90 E91 G95 S96 W127L54-A93 HydrophobicContact CD2-CB 3.84Å; F85-A93 HydrophobicContact CD1-CB 4.22Å; F85-A93 HydrophobicContact CE1-CB 3.45Å; F85-A93 VanDerWaalsContact CE1-CB 3.45Å; F85-A93 HydrophobicContact CZ-CB 3.94Å; D89-A93 WeakPolarHBondContact O-CB 3.49Å; D89-A93 PolarHBondContact O-N 3.39Å; I90-A93 WeakPolarHBondContact O-CB 3.49Å; I90-A93 PolarHBondContact O-N 2.8Å; I90-A93 VanDerWaalsContact O-N 3.08Å; E91-A93 VanDerWaalsContact C-N 3.32Å; E91-A93 PolarHBondContact O-N 3.37Å; A93-G95 VanDerWaalsContact C-N 3.33Å; A93-G95 PolarHBondContact O-N 3.13Å; A93-S96 WeakPolarHBondContact O-CB 3.3Å; A93-S96 PolarHBondContact O-N 3.16Å; A93-S96 VanDerWaalsContact O-N 3.1Å; A93-S96 PolarHBondContact O-OG 3.44Å; A93-W127 HydrophobicContact CB-CH2 4.21Å
94V97.8Very high96.6Very high0 Ų059.4 Ų59.40%033%0.334CS..Hα-helixtrans-61.8-41.8175.7178.60000110.8I90 S96 L97 V102 L105 W127 K130 V134I90-V94 HydrophobicContact CG2-CG2 4.18Å; I90-V94 WeakPolarHBondContact O-CG2 3.43Å; I90-V94 PolarHBondContact O-N 2.98Å; V94-S96 PolarHBondContact O-N 3.02Å; V94-L97 WeakPolarHBondContact O-CB 3.47Å; V94-L97 PolarHBondContact O-N 3.32Å; V94-L97 VanDerWaalsContact O-N 3.1Å; V94-V102 HydrophobicContact CG1-CG2 4.32Å; V94-L105 HydrophobicContact CG2-CD2 4.02Å; V94-W127 HydrophobicContact CG2-CE3 3.79Å; V94-W127 HydrophobicContact CG2-CZ3 3.7Å; V94-K130 HydrophobicContact CG2-CB 4.11Å; V94-V134 HydrophobicContact CG1-CB 3.94Å; V94-V134 HydrophobicContact CG1-CG1 4.46Å; V94-V134 HydrophobicContact CG1-CG2 3.75Å
95G96.9Very high96.8Very high53 Ų5357 Ų5755%0.54632%0.317SS..Hα-helixtrans-65.4-14176.400000114.8E91 K92 A93E91-G95 PolarHBondContact O-N 3.39Å; K92-G95 PolarHBondContact O-N 3.01Å; A93-G95 VanDerWaalsContact C-N 3.33Å; A93-G95 PolarHBondContact O-N 3.13Å
96S96.6Very high96.9Very high50 Ų5056 Ų5635%0.3531%0.313SS..THydrogen-bonded Turntrans-87.2-10.6174.579.90000113.9H55 K92 A93 V94H55-S96 PolarHBondContact CE1-O 2.84Å; H55-S96 PolarHBondContact NE2-OG 3.47Å; H55-S96 VanDerWaalsContact NE2-OG 3.16Å; K92-S96 PolarHBondContact O-N 3.18Å; A93-S96 WeakPolarHBondContact O-CB 3.3Å; A93-S96 PolarHBondContact O-N 3.16Å; A93-S96 VanDerWaalsContact O-N 3.1Å; A93-S96 PolarHBondContact O-OG 3.44Å; V94-S96 PolarHBondContact O-N 3.02Å
97L97.7Very high97.1Very high18 Ų1850.3 Ų50.39%0.09429%0.288CS..SBendtrans-82.3149176.9-61.1175.9000110.3L54 L58 V94 V102 L105L54-L97 HydrophobicContact CD2-CD1 4.22Å; L54-L97 HydrophobicContact CD2-CD2 4.26Å; L54-L97 HydrophobicContact CD2-CG 4.34Å; L54-L97 HydrophobicContact CG-CD2 4.39Å; L58-L97 HydrophobicContact CD1-CD1 3.91Å; L58-L97 HydrophobicContact CD1-CD2 3.88Å; V94-L97 WeakPolarHBondContact O-CB 3.47Å; V94-L97 PolarHBondContact O-N 3.32Å; V94-L97 VanDerWaalsContact O-N 3.1Å; L97-V102 HydrophobicContact CB-CG2 3.84Å; L97-V102 HydrophobicContact CD1-CG2 4.43Å; L97-L105 HydrophobicContact CD1-CB 4.3Å; L97-L105 HydrophobicContact CD1-CD2 3.81Å
98D97.1Very high97.3Very high107 Ų10747.2 Ų47.257%0.57227%0.265SS*.  trans-76.4171.9166.373.8-27.9000110.6A100 G101 V102D98-A100 PolarHBondContact O-N 3.31Å; D98-G101 PolarHBondContact O-N 3.05Å; D98-G101 VanDerWaalsContact O-N 3.08Å; D98-G101 WeakPolarHBondContact OD1-CA 3.29Å; D98-G101 PolarHBondContact OD1-N 3.11Å; D98-V102 WeakPolarHBondContact O-CG2 3.44Å; D98-V102 PolarHBondContact O-N 2.93Å
99K96.5Very high97.4Very high155 Ų15542.8 Ų42.867%0.67423%0.234SC*.Hα-helixtrans-58.2-38-176.8-171175.2-179.9-179.70112.5D103K99-D103 VanDerWaalsContact O-CG 3.24Å; K99-D103 PolarHBondContact O-N 3.14Å; K99-D103 VanDerWaalsContact O-N 3.15Å
100A96.7Very high97.5Very high62 Ų6243 Ų4351%0.51223%0.23SC..Hα-helixtrans-68.4-40.517700000111.8D98 D103 L104D98-A100 PolarHBondContact O-N 3.31Å; A100-D103 PolarHBondContact O-N 3.24Å; A100-L104 WeakPolarHBondContact O-CB 3.38Å; A100-L104 PolarHBondContact O-N 3.4Å
101G97.6Very high97.5Very high8 Ų843.7 Ų43.78%0.08223%0.233CC..Hα-helixtrans-61.4-41.9174.400000113D98 L104 L105D98-G101 PolarHBondContact O-N 3.05Å; D98-G101 VanDerWaalsContact O-N 3.08Å; D98-G101 WeakPolarHBondContact OD1-CA 3.29Å; D98-G101 PolarHBondContact OD1-N 3.11Å; G101-L104 PolarHBondContact O-N 3.27Å; G101-L105 WeakPolarHBondContact O-CB 3.11Å; G101-L105 PolarHBondContact O-N 2.93Å
102V98.4Very high97.5Very high2 Ų237.7 Ų37.71%0.01221%0.206CC..Hα-helixtrans-64.1-40.9175.11780000111.4V94 L97 D98 L104 L105 M106 V134V94-V102 HydrophobicContact CG1-CG2 4.32Å; L97-V102 HydrophobicContact CB-CG2 3.84Å; L97-V102 HydrophobicContact CD1-CG2 4.43Å; D98-V102 WeakPolarHBondContact O-CG2 3.44Å; D98-V102 PolarHBondContact O-N 2.93Å; V102-L104 VanDerWaalsContact C-N 3.32Å; V102-L104 PolarHBondContact O-N 2.73Å; V102-L105 PolarHBondContact O-N 3.49Å; V102-M106 PolarHBondContact O-N 2.88Å; V102-V134 HydrophobicContact CG2-CG1 3.94Å
103D98.3Very high97.5Very high17 Ų1732.4 Ų32.49%0.09118%0.182CC..Hα-helixtrans-67.1-32.9176.9-69.5-24.4000113.2K99 A100 K107 S139 R142K99-D103 VanDerWaalsContact O-CG 3.24Å; K99-D103 PolarHBondContact O-N 3.14Å; K99-D103 VanDerWaalsContact O-N 3.15Å; A100-D103 PolarHBondContact O-N 3.24Å; D103-K107 WeakPolarHBondContact O-CG 3.37Å; D103-K107 PolarHBondContact O-N 3.13Å; D103-K107 PolarHBondContact O-NZ 3.14Å; D103-S139 WeakPolarHBondContact OD1-CA 3.36Å; D103-S139 WeakPolarHBondContact OD1-CB 3.26Å; D103-R142 IonicContact OD1-CZ 3.43Å; D103-R142 IonicContact OD1-NE 2.84Å; D103-R142 PolarHBondContact OD1-NE 3.41Å; D103-R142 IonicContact OD1-NH2 2.69Å; D103-R142 PolarHBondContact OD1-NH2 3.23Å; D103-R142 IonicContact OD2-CZ 3.21Å; D103-R142 IonicContact OD2-NE 2.7Å; D103-R142 PolarHBondContact OD2-NE 3.31Å; D103-R142 IonicContact OD2-NH2 3.59Å; D103-R142 PolarHBondContact OD2-NH2 2.93Å
104L98.3Very high97.3Very high20 Ų2039.1 Ų39.111%0.10521%0.214CC..Hα-helixtrans-74-43.8175.1-178.361.6000111.2L58 P61 I63 A100 G101 V102 M106 K107 Y108 V150L58-L104 HydrophobicContact CB-CD2 4.17Å; L58-L104 HydrophobicContact CD2-CD2 4.26Å; L58-L104 HydrophobicContact CD2-CG 4.21Å; L58-L104 VanDerWaalsContact O-CD2 3.25Å; L58-L104 WeakPolarHBondContact O-CD2 3.42Å; P61-L104 HydrophobicContact CB-CD1 3.94Å; P61-L104 HydrophobicContact CB-CD2 4.07Å; P61-L104 HydrophobicContact CG-CD1 4.01Å; P61-L104 HydrophobicContact CG-CD2 3.76Å; I63-L104 HydrophobicContact CD1-CD1 4.28Å; A100-L104 WeakPolarHBondContact O-CB 3.38Å; A100-L104 PolarHBondContact O-N 3.4Å; G101-L104 PolarHBondContact O-N 3.27Å; V102-L104 VanDerWaalsContact C-N 3.32Å; V102-L104 PolarHBondContact O-N 2.73Å; L104-M106 VanDerWaalsContact C-N 3.26Å; L104-M106 PolarHBondContact O-N 3.4Å; L104-K107 WeakPolarHBondContact O-CB 3.37Å; L104-K107 PolarHBondContact O-N 2.97Å; L104-K107 VanDerWaalsContact O-N 3.1Å; L104-Y108 HydrophobicContact CD1-CD2 4.25Å; L104-Y108 HydrophobicContact CD1-CE2 3.88Å; L104-Y108 HydrophobicContact CD2-CE2 4.45Å; L104-Y108 HydrophobicContact CG-CD2 4.15Å; L104-Y108 HydrophobicContact CG-CE2 3.96Å; L104-Y108 WeakPolarHBondContact O-CD2 3.27Å; L104-Y108 PolarHBondContact O-N 3.12Å; L104-Y108 VanDerWaalsContact O-N 3.15Å; L104-V150 HydrophobicContact CD1-CG1 3.59Å
105L98.4Very high96.8Very high0 Ų044.2 Ų44.20%024%0.236CC..Hα-helixtrans-55.3-44.4172.9174.762.6000110.7L58 L82 V94 L97 G101 V102 K107 Y108 I109 W127 A131L58-L105 HydrophobicContact CD1-CB 4.3Å; L82-L105 HydrophobicContact CD1-CD1 4.09Å; L82-L105 HydrophobicContact CD2-CD1 3.8Å; V94-L105 HydrophobicContact CG2-CD2 4.02Å; L97-L105 HydrophobicContact CD1-CB 4.3Å; L97-L105 HydrophobicContact CD1-CD2 3.81Å; G101-L105 WeakPolarHBondContact O-CB 3.11Å; G101-L105 PolarHBondContact O-N 2.93Å; V102-L105 PolarHBondContact O-N 3.49Å; L105-K107 VanDerWaalsContact C-N 3.31Å; L105-K107 PolarHBondContact O-N 3.39Å; L105-Y108 PolarHBondContact O-N 3.38Å; L105-I109 HydrophobicContact CD1-CD1 4.16Å; L105-I109 HydrophobicContact CD1-CG1 4.26Å; L105-I109 HydrophobicContact CG-CD1 3.87Å; L105-I109 HydrophobicContact CG-CG1 4.42Å; L105-I109 WeakPolarHBondContact O-CG1 3.47Å; L105-I109 PolarHBondContact O-N 2.86Å; L105-W127 HydrophobicContact CD1-CE3 4.39Å; L105-W127 HydrophobicContact CD2-CE3 3.98Å; L105-W127 HydrophobicContact CD2-CZ3 4.12Å; L105-A131 HydrophobicContact CD2-CB 4.31Å
106M98.6Very high96.4Very high0 Ų045.7 Ų45.70%024%0.236CC..Hα-helixtrans-59.6-40.2177.4-167.36079.700112.1V102 L104 Y108 I109 Y110 A131 L132 S139 I140 V143V102-M106 PolarHBondContact O-N 2.88Å; L104-M106 VanDerWaalsContact C-N 3.26Å; L104-M106 PolarHBondContact O-N 3.4Å; M106-Y108 PolarHBondContact O-N 2.68Å; M106-I109 PolarHBondContact O-N 3.42Å; M106-Y110 HydrophobicContact CG-CD2 4.05Å; M106-Y110 HydrophobicContact CG-CE2 4.05Å; M106-Y110 WeakPolarHBondContact O-CD2 3.46Å; M106-Y110 PolarHBondContact O-N 3.37Å; M106-Y110 VanDerWaalsContact O-N 3.08Å; M106-Y110 HydrophobicContact SD-CD2 3.97Å; M106-Y110 HydrophobicContact SD-CE2 3.71Å; M106-A131 HydrophobicContact CE-CB 3.6Å; M106-L132 HydrophobicContact CE-CB 4.4Å; M106-S139 WeakPolarHBondContact CE-OG 3.25Å; M106-I140 HydrophobicContact CE-CG1 4.1Å; M106-I140 HydrophobicContact CG-CG1 4.21Å; M106-I140 HydrophobicContact SD-CG1 4.14Å; M106-V143 HydrophobicContact CB-CG2 4.15Å; M106-V143 HydrophobicContact CG-CG2 3.74Å
107K98.4Very high95.7Very high28 Ų2846.9 Ų46.912%0.12224%0.244CC..Hα-helixtrans-61-45.2175.3-68.2176.6-177.169.80112D103 L104 L105 Y110 R111 V143 V150D103-K107 WeakPolarHBondContact O-CG 3.37Å; D103-K107 PolarHBondContact O-N 3.13Å; D103-K107 PolarHBondContact O-NZ 3.14Å; L104-K107 WeakPolarHBondContact O-CB 3.37Å; L104-K107 PolarHBondContact O-N 2.97Å; L104-K107 VanDerWaalsContact O-N 3.1Å; L105-K107 VanDerWaalsContact C-N 3.31Å; L105-K107 PolarHBondContact O-N 3.39Å; K107-Y110 PolarHBondContact O-N 3.08Å; K107-R111 PolarHBondContact O-N 3.48Å; K107-V143 HydrophobicContact CB-CG2 4.48Å; K107-V143 HydrophobicContact CG-CB 4.49Å; K107-V143 HydrophobicContact CG-CG2 3.86Å; K107-V150 HydrophobicContact CB-CG2 3.83Å
108Y98.1Very high95Very high2 Ų254 Ų541%0.00828%0.282CS..Hα-helixtrans-66.8-35177.5-79.5-66.9000113.2L58 P61 P62 A74 V78 L104 L105 M106 R111 G112 V150L58-Y108 HydrophobicContact CD2-CD2 3.84Å; L58-Y108 HydrophobicContact CD2-CE2 4.11Å; P61-Y108 HydrophobicContact CB-CE2 4.41Å; P62-Y108 WeakPolarHBondContact CD-OH 3.3Å; A74-Y108 HydrophobicContact CB-CE1 4.32Å; V78-Y108 HydrophobicContact CB-CD1 4.17Å; V78-Y108 HydrophobicContact CB-CG 4.2Å; V78-Y108 HydrophobicContact CG1-CD1 4.42Å; V78-Y108 HydrophobicContact CG1-CD2 4.42Å; V78-Y108 HydrophobicContact CG1-CG 3.98Å; V78-Y108 HydrophobicContact CG2-CD1 3.85Å; V78-Y108 HydrophobicContact CG2-CD2 3.95Å; V78-Y108 HydrophobicContact CG2-CE1 3.92Å; V78-Y108 HydrophobicContact CG2-CE2 4Å; V78-Y108 HydrophobicContact CG2-CG 3.87Å; L104-Y108 HydrophobicContact CD1-CD2 4.25Å; L104-Y108 HydrophobicContact CD1-CE2 3.88Å; L104-Y108 HydrophobicContact CD2-CE2 4.45Å; L104-Y108 HydrophobicContact CG-CD2 4.15Å; L104-Y108 HydrophobicContact CG-CE2 3.96Å; L104-Y108 WeakPolarHBondContact O-CD2 3.27Å; L104-Y108 PolarHBondContact O-N 3.12Å; L104-Y108 VanDerWaalsContact O-N 3.15Å; L105-Y108 PolarHBondContact O-N 3.38Å; M106-Y108 PolarHBondContact O-N 2.68Å; Y108-R111 PolarHBondContact O-N 2.77Å; Y108-G112 PolarHBondContact O-N 2.87Å; Y108-V150 HydrophobicContact CD1-CB 4.16Å; Y108-V150 HydrophobicContact CD1-CG2 3.78Å; Y108-V150 HydrophobicContact CD2-CG1 4.31Å; Y108-V150 HydrophobicContact CD2-CG2 4.46Å; Y108-V150 HydrophobicContact CE1-CB 3.66Å; Y108-V150 HydrophobicContact CE1-CG1 4.01Å; Y108-V150 HydrophobicContact CE1-CG2 3.83Å; Y108-V150 HydrophobicContact CE2-CB 4.28Å; Y108-V150 HydrophobicContact CE2-CG1 3.7Å; Y108-V150 HydrophobicContact CG-CG2 4.11Å
109I98Very high94.3Very high0 Ų054.7 Ų54.70%029%0.286CS..Hα-helixtrans-61.2-49.2174.3-71166.5000110.4L82 L105 M106 R111 G112 F113 L124 W127 H128 A131L82-I109 HydrophobicContact CD1-CG1 4.26Å; L105-I109 HydrophobicContact CD1-CD1 4.16Å; L105-I109 HydrophobicContact CD1-CG1 4.26Å; L105-I109 HydrophobicContact CG-CD1 3.87Å; L105-I109 HydrophobicContact CG-CG1 4.42Å; L105-I109 WeakPolarHBondContact O-CG1 3.47Å; L105-I109 PolarHBondContact O-N 2.86Å; M106-I109 PolarHBondContact O-N 3.42Å; I109-R111 VanDerWaalsContact C-N 3.33Å; I109-R111 PolarHBondContact O-N 2.88Å; I109-G112 PolarHBondContact O-N 3.22Å; I109-F113 HydrophobicContact CG2-CD2 4.21Å; I109-F113 HydrophobicContact CG2-CE2 3.58Å; I109-F113 HydrophobicContact CG2-CZ 4.07Å; I109-F113 WeakPolarHBondContact O-CD2 3.3Å; I109-F113 PolarHBondContact O-N 3.25Å; I109-L124 HydrophobicContact CG1-CD2 4.42Å; I109-W127 HydrophobicContact CD1-CB 3.87Å; I109-W127 HydrophobicContact CG1-CB 4.33Å; I109-H128 HydrophobicContact CG2-CB 4.01Å; I109-A131 HydrophobicContact CD1-CB 4.06Å
110Y97.9Very high94Very high77 Ų7747.5 Ų47.530%0.30226%0.255SS..Hα-helixtrans-61.9-41.6178.4-90.7-92.3000112.2M106 K107 F113 H128 I140 V143M106-Y110 HydrophobicContact CG-CD2 4.05Å; M106-Y110 HydrophobicContact CG-CE2 4.05Å; M106-Y110 WeakPolarHBondContact O-CD2 3.46Å; M106-Y110 PolarHBondContact O-N 3.37Å; M106-Y110 VanDerWaalsContact O-N 3.08Å; M106-Y110 HydrophobicContact SD-CD2 3.97Å; M106-Y110 HydrophobicContact SD-CE2 3.71Å; K107-Y110 PolarHBondContact O-N 3.08Å; Y110-F113 WeakPolarHBondContact O-CB 3.26Å; Y110-F113 PolarHBondContact O-N 3.31Å; Y110-H128 AromaticContact CE2-CD2 3.98Å; Y110-H128 AromaticContact CE2-NE2 3.91Å; Y110-I140 HydrophobicContact CE2-CG1 4.08Å; Y110-I140 HydrophobicContact CE2-CG2 4.12Å; Y110-I140 VanDerWaalsContact OH-CG2 3.26Å; Y110-I140 WeakPolarHBondContact OH-CG2 3.45Å; Y110-V143 HydrophobicContact CD2-CG1 4.33Å; Y110-V143 HydrophobicContact CD2-CG2 4.15Å; Y110-V143 HydrophobicContact CG-CG1 4.06Å
111R96Very high93.8Very high17 Ų1746.6 Ų46.66%0.06425%0.245CC..Hα-helixtrans-63.6-43.1175.1-174.5178.5174.9167.98.5112.5K71 D72 E75 K107 Y108 I109 F113 E114 V150K71-R111 VanDerWaalsContact CB-NH2 3.29Å; K71-R111 PolarHBondContact O-NH1 3.4Å; K71-R111 PolarHBondContact O-NH2 2.86Å; D72-R111 VanDerWaalsContact N-NH2 3.1Å; D72-R111 IonicContact OD1-CZ 3.22Å; D72-R111 IonicContact OD1-NH2 2.68Å; D72-R111 PolarHBondContact OD1-NH2 3.19Å; E75-R111 HydrophobicContact CG-CG 3.97Å; E75-R111 IonicContact OE2-CZ 3.4Å; E75-R111 IonicContact OE2-NE 3.42Å; E75-R111 PolarHBondContact OE2-NE 3.45Å; E75-R111 IonicContact OE2-NH2 3.87Å; K107-R111 PolarHBondContact O-N 3.48Å; Y108-R111 PolarHBondContact O-N 2.77Å; I109-R111 VanDerWaalsContact C-N 3.33Å; I109-R111 PolarHBondContact O-N 2.88Å; R111-F113 PolarHBondContact O-N 3.43Å; R111-E114 VanDerWaalsContact O-CB 3.25Å; R111-E114 WeakPolarHBondContact O-CB 3.14Å; R111-E114 WeakPolarHBondContact O-CG 3.09Å; R111-E114 PolarHBondContact O-N 3.01Å; R111-V150 PolarHBondContact NH1-O 3.37Å; R111-V150 PolarHBondContact NH1-OXT 3.33Å
112G95.9Very high93.7Very high2 Ų248.4 Ų48.42%0.02126%0.26CS..Hα-helixtrans-60.7-26.1177.200000113.3Y108 I109 E114Y108-G112 PolarHBondContact O-N 2.87Å; I109-G112 PolarHBondContact O-N 3.22Å; G112-E114 VanDerWaalsContact C-N 3.28Å; G112-E114 PolarHBondContact O-N 3.26Å
113F96.4Very high93.6Very high61 Ų6149.5 Ų49.527%0.26827%0.266SS..THydrogen-bonded Turntrans-71.5-17.9172.7-70.1-46.4000114.1I109 Y110 R111 K115 L124 L125I109-F113 HydrophobicContact CG2-CD2 4.21Å; I109-F113 HydrophobicContact CG2-CE2 3.58Å; I109-F113 HydrophobicContact CG2-CZ 4.07Å; I109-F113 WeakPolarHBondContact O-CD2 3.3Å; I109-F113 PolarHBondContact O-N 3.25Å; Y110-F113 WeakPolarHBondContact O-CB 3.26Å; Y110-F113 PolarHBondContact O-N 3.31Å; R111-F113 PolarHBondContact O-N 3.43Å; F113-K115 VanDerWaalsContact C-N 3.33Å; F113-L124 HydrophobicContact CD1-CB 4.06Å; F113-L124 HydrophobicContact CD1-CD1 4.02Å; F113-L124 HydrophobicContact CE1-CB 3.36Å; F113-L124 HydrophobicContact CE1-CD1 4.18Å; F113-L124 HydrophobicContact CE1-CG 4.43Å; F113-L124 HydrophobicContact CZ-CB 3.68Å; F113-L125 HydrophobicContact CE1-CD2 4.28Å; F113-L125 HydrophobicContact CE1-CG 4.07Å; F113-L125 HydrophobicContact CZ-CD2 3.85Å; F113-L125 HydrophobicContact CZ-CG 4Å
114E94.4Very high93.5Very high142 Ų14248.9 Ų48.966%0.66426%0.263SS*.THydrogen-bonded Turntrans-70.7-31.6177.9-60.5177.9-169.200112.1R111 G112 P116R111-E114 VanDerWaalsContact O-CB 3.25Å; R111-E114 WeakPolarHBondContact O-CB 3.14Å; R111-E114 WeakPolarHBondContact O-CG 3.09Å; R111-E114 PolarHBondContact O-N 3.01Å; G112-E114 VanDerWaalsContact C-N 3.28Å; G112-E114 PolarHBondContact O-N 3.26Å; E114-P116 WeakPolarHBondContact O-CD 3.08Å
115K87.3Confident93.5Very high108 Ų10853 Ų5347%0.4728%0.284SS..SBendtrans-12769.5-175.9-62.7175.1-169.7164.70110.6D72 E75 F113 S117D72-K115 IonicContact OD1-NZ 2.77Å; D72-K115 PolarHBondContact OD1-NZ 2.92Å; D72-K115 IonicContact OD2-NZ 2.67Å; E75-K115 IonicContact OE2-NZ 2.61Å; F113-K115 VanDerWaalsContact C-N 3.33Å; K115-S117 PolarHBondContact O-N 3.29Å
116P87.4Confident93.5Very high84 Ų8456.5 Ų56.555%0.54530%0.301SS..  trans-63.4128.2-178.927.1-34.3000111E114 S121E114-P116 WeakPolarHBondContact O-CD 3.08Å; P116-S121 WeakPolarHBondContact CB-OG 3.3Å
117S83Confident93.5Very high75 Ų7556.5 Ų56.552%0.52430%0.301SS..  trans-112.8172.716865.90000110.8K115 N119 S120K115-S117 PolarHBondContact O-N 3.29Å; S117-N119 PolarHBondContact O-N 3.1Å; S117-S120 PolarHBondContact N-OG 3.5Å; S117-S120 WeakPolarHBondContact O-CB 3.4Å; S117-S120 PolarHBondContact O-N 2.59Å; S117-S120 PolarHBondContact O-OG 3.4Å; S117-S120 WeakPolarHBondContact OG-CB 3.45Å; S117-S120 PolarHBondContact OG-OG 3.4Å
118D82.2Confident93.5Very high166 Ų16656.9 Ų56.989%0.88830%0.303SS*.THydrogen-bonded Turntrans-49.6116.4-172.6-86.1-18.7000113S120D118-S120 PolarHBondContact O-N 2.75Å
119N83.4Confident93.5Very high123 Ų12361.8 Ų61.866%0.65833%0.326SS*.THydrogen-bonded Turntrans60.61.7-179.4-156.945.7000116.8S117 S121 A122 V123S117-N119 PolarHBondContact O-N 3.1Å; N119-S121 PolarHBondContact O-N 3.23Å; N119-A122 PolarHBondContact O-N 2.84Å; N119-A122 WeakPolarHBondContact OD1-CB 3.29Å; N119-V123 PolarHBondContact O-N 3.44Å
120S88.7Confident93.5Very high4 Ų464.1 Ų64.13%0.02834%0.336CS..Hα-helixtrans-60-43.1178.961.30000112.2S117 D118 A122 V123 L124S117-S120 PolarHBondContact N-OG 3.5Å; S117-S120 WeakPolarHBondContact O-CB 3.4Å; S117-S120 PolarHBondContact O-N 2.59Å; S117-S120 PolarHBondContact O-OG 3.4Å; S117-S120 WeakPolarHBondContact OG-CB 3.45Å; S117-S120 PolarHBondContact OG-OG 3.4Å; D118-S120 PolarHBondContact O-N 2.75Å; S120-A122 VanDerWaalsContact C-N 3.32Å; S120-A122 PolarHBondContact O-N 3.2Å; S120-V123 PolarHBondContact O-N 3.32Å; S120-L124 WeakPolarHBondContact O-CB 3.45Å; S120-L124 VanDerWaalsContact O-CG 3.29Å; S120-L124 WeakPolarHBondContact O-CG 3.46Å; S120-L124 PolarHBondContact O-N 3.34Å
121S93.8Very high93.5Very high42 Ų4260.5 Ų60.529%0.29432%0.322SS..Hα-helixtrans-61.5-37.2-179.3-53.90000113.2P116 N119 L124 L125P116-S121 WeakPolarHBondContact CB-OG 3.3Å; N119-S121 PolarHBondContact O-N 3.23Å; S121-L124 PolarHBondContact O-N 2.74Å; S121-L125 WeakPolarHBondContact O-CB 3.34Å; S121-L125 VanDerWaalsContact O-CG 3.26Å; S121-L125 WeakPolarHBondContact O-CG 3.26Å; S121-L125 PolarHBondContact O-N 3.41Å
122A95.2Very high93.6Very high47 Ų4762.6 Ų62.639%0.38833%0.334SS..Hα-helixtrans-65.1-43.3178.300000111.1N119 S120 L125 Q126N119-A122 PolarHBondContact O-N 2.84Å; N119-A122 WeakPolarHBondContact OD1-CB 3.29Å; S120-A122 VanDerWaalsContact C-N 3.32Å; S120-A122 PolarHBondContact O-N 3.2Å; A122-L125 PolarHBondContact O-N 3.03Å; A122-Q126 PolarHBondContact O-N 3.31Å
123V95.4Very high93.7Very high25 Ų2566.5 Ų66.515%0.15237%0.366CS..Hα-helixtrans-64.1-48.3174.3172.80000110.4L82 N119 S120 L125 Q126 W127L82-V123 WeakPolarHBondContact O-CG1 3.4Å; N119-V123 PolarHBondContact O-N 3.44Å; S120-V123 PolarHBondContact O-N 3.32Å; V123-L125 VanDerWaalsContact C-N 3.27Å; V123-L125 PolarHBondContact O-N 3.35Å; V123-Q126 WeakPolarHBondContact O-CB 3.33Å; V123-Q126 PolarHBondContact O-N 3.27Å; V123-W127 VanDerWaalsContact CG1-CD1 3.5Å; V123-W127 VanDerWaalsContact O-CD1 3.25Å; V123-W127 PolarHBondContact O-N 3.46Å
124L97.6Very high93.8Very high3 Ų367.3 Ų67.32%0.01638%0.375CS..Hα-helixtrans-61-33.9-179.6-71.1175.7000112.7L82 I109 F113 S120 S121 W127 H128L82-L124 HydrophobicContact CD1-CD2 3.71Å; I109-L124 HydrophobicContact CG1-CD2 4.42Å; F113-L124 HydrophobicContact CD1-CB 4.06Å; F113-L124 HydrophobicContact CD1-CD1 4.02Å; F113-L124 HydrophobicContact CE1-CB 3.36Å; F113-L124 HydrophobicContact CE1-CD1 4.18Å; F113-L124 HydrophobicContact CE1-CG 4.43Å; F113-L124 HydrophobicContact CZ-CB 3.68Å; S120-L124 WeakPolarHBondContact O-CB 3.45Å; S120-L124 VanDerWaalsContact O-CG 3.29Å; S120-L124 WeakPolarHBondContact O-CG 3.46Å; S120-L124 PolarHBondContact O-N 3.34Å; S121-L124 PolarHBondContact O-N 2.74Å; L124-W127 PolarHBondContact O-N 2.96Å; L124-H128 VanDerWaalsContact O-CB 3.3Å; L124-H128 WeakPolarHBondContact O-CB 3.42Å; L124-H128 PolarHBondContact O-N 3.34Å
125L97.7Very high93.9Very high106 Ų10661.4 Ų61.456%0.55535%0.353SS*.Hα-helixtrans-65.4-38.7173-75168.6000112.3F113 S121 A122 V123 H128 E129F113-L125 HydrophobicContact CE1-CD2 4.28Å; F113-L125 HydrophobicContact CE1-CG 4.07Å; F113-L125 HydrophobicContact CZ-CD2 3.85Å; F113-L125 HydrophobicContact CZ-CG 4Å; S121-L125 WeakPolarHBondContact O-CB 3.34Å; S121-L125 VanDerWaalsContact O-CG 3.26Å; S121-L125 WeakPolarHBondContact O-CG 3.26Å; S121-L125 PolarHBondContact O-N 3.41Å; A122-L125 PolarHBondContact O-N 3.03Å; V123-L125 VanDerWaalsContact C-N 3.27Å; V123-L125 PolarHBondContact O-N 3.35Å; L125-H128 PolarHBondContact O-N 2.93Å; L125-E129 PolarHBondContact O-N 3.46Å
126Q97.5Very high94.4Very high75 Ų7557.7 Ų57.735%0.3535%0.346SS..Hα-helixtrans-65.1-42.4173.6-67179.6-17.400111.5S87 I90 A122 V123 E129 K130S87-Q126 PolarHBondContact OG-NE2 3.2Å; S87-Q126 PolarHBondContact OG-OE1 3.02Å; I90-Q126 HydrophobicContact CD1-CB 4.04Å; A122-Q126 PolarHBondContact O-N 3.31Å; V123-Q126 WeakPolarHBondContact O-CB 3.33Å; V123-Q126 PolarHBondContact O-N 3.27Å; Q126-E129 PolarHBondContact O-N 2.96Å; Q126-K130 PolarHBondContact O-N 3.01Å
127W98.4Very high94.9Very high0 Ų058.7 Ų58.70%035%0.35CS..Hα-helixtrans-63-42.9174.2-81.695.9000112.1L54 L82 F85 I90 A93 V94 L105 I109 V123 L124 E129 K130 A131L54-W127 HydrophobicContact CD1-CH2 4.19Å; L54-W127 HydrophobicContact CD1-CZ3 4.31Å; L54-W127 HydrophobicContact CD2-CH2 4.07Å; L54-W127 HydrophobicContact CD2-CZ3 4.13Å; L82-W127 HydrophobicContact CB-CD2 4.39Å; L82-W127 HydrophobicContact CB-CG 4.44Å; L82-W127 HydrophobicContact CB-CZ2 4.27Å; L82-W127 HydrophobicContact CD1-CD2 4.47Å; L82-W127 HydrophobicContact CD1-CG 4.36Å; L82-W127 HydrophobicContact CD2-CD2 3.69Å; L82-W127 HydrophobicContact CD2-CE3 3.81Å; L82-W127 HydrophobicContact CD2-CG 4.38Å; L82-W127 HydrophobicContact CD2-CH2 3.66Å; L82-W127 HydrophobicContact CD2-CZ2 3.54Å; L82-W127 HydrophobicContact CD2-CZ3 3.79Å; L82-W127 HydrophobicContact CG-CD2 4.37Å; L82-W127 HydrophobicContact CG-CZ2 4.47Å; L82-W127 PolarHBondContact O-NE1 3.27Å; F85-W127 HydrophobicContact CB-CZ2 3.79Å; F85-W127 HydrophobicContact CD1-CH2 4.27Å; F85-W127 HydrophobicContact CD1-CZ2 4.12Å; F85-W127 HydrophobicContact CD2-CH2 4.06Å; F85-W127 AromaticContact CD2-CZ2 3.61Å; F85-W127 HydrophobicContact CD2-CZ2 3.61Å; F85-W127 HydrophobicContact CE1-CH2 4.36Å; F85-W127 HydrophobicContact CE2-CH2 4.13Å; F85-W127 HydrophobicContact CE2-CZ2 4.13Å; F85-W127 HydrophobicContact CG-CH2 4.11Å; F85-W127 AromaticContact CG-CZ2 3.57Å; F85-W127 HydrophobicContact CG-CZ2 3.57Å; F85-W127 HydrophobicContact CZ-CH2 4.25Å; I90-W127 HydrophobicContact CD1-CD2 4.42Å; I90-W127 HydrophobicContact CD1-CG 4.36Å; I90-W127 HydrophobicContact CG1-CD2 4.41Å; I90-W127 HydrophobicContact CG1-CZ2 4.1Å; I90-W127 HydrophobicContact CG2-CD2 3.68Å; I90-W127 HydrophobicContact CG2-CE3 3.69Å; I90-W127 HydrophobicContact CG2-CG 4.19Å; I90-W127 HydrophobicContact CG2-CH2 4.41Å; I90-W127 HydrophobicContact CG2-CZ2 4.4Å; I90-W127 HydrophobicContact CG2-CZ3 4.07Å; A93-W127 HydrophobicContact CB-CH2 4.21Å; V94-W127 HydrophobicContact CG2-CE3 3.79Å; V94-W127 HydrophobicContact CG2-CZ3 3.7Å; L105-W127 HydrophobicContact CD1-CE3 4.39Å; L105-W127 HydrophobicContact CD2-CE3 3.98Å; L105-W127 HydrophobicContact CD2-CZ3 4.12Å; I109-W127 HydrophobicContact CD1-CB 3.87Å; I109-W127 HydrophobicContact CG1-CB 4.33Å; V123-W127 VanDerWaalsContact CG1-CD1 3.5Å; V123-W127 VanDerWaalsContact O-CD1 3.25Å; V123-W127 PolarHBondContact O-N 3.46Å; L124-W127 PolarHBondContact O-N 2.96Å; W127-E129 VanDerWaalsContact C-N 3.35Å; W127-E129 PolarHBondContact O-N 2.84Å; W127-K130 PolarHBondContact O-N 2.99Å; W127-A131 VanDerWaalsContact O-CB 3.29Å; W127-A131 WeakPolarHBondContact O-CB 3.46Å; W127-A131 PolarHBondContact O-N 2.67Å
128H98.6Very high95.6Very high35 Ų3556.3 Ų56.316%0.16234%0.337CS..Hα-helixtrans-58.4-46.6177-179.9-82.9000111.3I109 Y110 L124 L125 K130 A131 L132I109-H128 HydrophobicContact CG2-CB 4.01Å; Y110-H128 AromaticContact CE2-CD2 3.98Å; Y110-H128 AromaticContact CE2-NE2 3.91Å; L124-H128 VanDerWaalsContact O-CB 3.3Å; L124-H128 WeakPolarHBondContact O-CB 3.42Å; L124-H128 PolarHBondContact O-N 3.34Å; L125-H128 PolarHBondContact O-N 2.93Å; H128-K130 VanDerWaalsContact C-N 3.32Å; H128-K130 PolarHBondContact O-N 3.4Å; H128-A131 PolarHBondContact O-N 2.77Å; H128-L132 WeakPolarHBondContact O-CB 3.47Å; H128-L132 PolarHBondContact O-N 3.23Å
129E98.4Very high96.4Very high106 Ų10648.4 Ų48.450%0.49529%0.294SS..Hα-helixtrans-53.5-48.8177.1-171.8-158.8137.800111.6L125 Q126 W127 L132 A133L125-E129 PolarHBondContact O-N 3.46Å; Q126-E129 PolarHBondContact O-N 2.96Å; W127-E129 VanDerWaalsContact C-N 3.35Å; W127-E129 PolarHBondContact O-N 2.84Å; E129-L132 PolarHBondContact O-N 2.74Å; E129-A133 PolarHBondContact O-N 2.7Å
130K98.4Very high97.1Very high49 Ų4943.7 Ų43.721%0.21327%0.269CS..Hα-helixtrans-74.5-39.2-177.6-55.6-46.8179.1-170.40112.6I90 E91 V94 Q126 W127 H128 L132 A133 V134I90-K130 HydrophobicContact CB-CG 4.48Å; I90-K130 HydrophobicContact CG2-CB 3.98Å; I90-K130 HydrophobicContact CG2-CG 3.79Å; E91-K130 HydrophobicContact CB-CD 4.29Å; E91-K130 HydrophobicContact CB-CG 4.39Å; V94-K130 HydrophobicContact CG2-CB 4.11Å; Q126-K130 PolarHBondContact O-N 3.01Å; W127-K130 PolarHBondContact O-N 2.99Å; H128-K130 VanDerWaalsContact C-N 3.32Å; H128-K130 PolarHBondContact O-N 3.4Å; K130-L132 VanDerWaalsContact C-N 3.3Å; K130-L132 PolarHBondContact O-N 3.14Å; K130-A133 PolarHBondContact O-N 3.26Å; K130-V134 PolarHBondContact O-N 3.04Å; K130-V134 VanDerWaalsContact O-N 3.15Å
131A98.4Very high97.6Very high0 Ų046.9 Ų46.90%029%0.288CS..Hα-helixtrans-63.3-36.3174.100000111.9L105 M106 I109 W127 H128 G135L105-A131 HydrophobicContact CD2-CB 4.31Å; M106-A131 HydrophobicContact CE-CB 3.6Å; I109-A131 HydrophobicContact CD1-CB 4.06Å; W127-A131 VanDerWaalsContact O-CB 3.29Å; W127-A131 WeakPolarHBondContact O-CB 3.46Å; W127-A131 PolarHBondContact O-N 2.67Å; H128-A131 PolarHBondContact O-N 2.77Å; A131-G135 WeakPolarHBondContact O-CA 3.43Å; A131-G135 PolarHBondContact O-N 3.19Å
132L98.4Very high97.8Very high62 Ų6248.9 Ų48.933%0.32529%0.289SS..Hα-helixtrans-67.7-41.8173.8177.861.2000111.7M106 H128 E129 K130 V134 G136 I140M106-L132 HydrophobicContact CE-CB 4.4Å; H128-L132 WeakPolarHBondContact O-CB 3.47Å; H128-L132 PolarHBondContact O-N 3.23Å; E129-L132 PolarHBondContact O-N 2.74Å; K130-L132 VanDerWaalsContact C-N 3.3Å; K130-L132 PolarHBondContact O-N 3.14Å; L132-V134 VanDerWaalsContact C-N 3.28Å; L132-V134 PolarHBondContact O-N 2.93Å; L132-G136 WeakPolarHBondContact O-CA 3.46Å; L132-G136 PolarHBondContact O-N 3.45Å; L132-I140 HydrophobicContact CD1-CD1 3.91Å
133A98Very high97.9Very high83 Ų8347.7 Ų47.769%0.68628%0.277SS*.Hα-helixtrans-60.2-38.2177.600000112.4E129 K130E129-A133 PolarHBondContact O-N 2.7Å; K130-A133 PolarHBondContact O-N 3.26Å
134V97.6Very high98.1Very high78 Ų7852.9 Ų52.947%0.47330%0.303SS..Hα-helixtrans-85-46.41801790000112.5V94 V102 K130 L132V94-V134 HydrophobicContact CG1-CB 3.94Å; V94-V134 HydrophobicContact CG1-CG1 4.46Å; V94-V134 HydrophobicContact CG1-CG2 3.75Å; V102-V134 HydrophobicContact CG2-CG1 3.94Å; K130-V134 PolarHBondContact O-N 3.04Å; K130-V134 VanDerWaalsContact O-N 3.15Å; L132-V134 VanDerWaalsContact C-N 3.28Å; L132-V134 PolarHBondContact O-N 2.93Å
135G96.4Very high98Very high19 Ų1957.2 Ų57.220%0.19633%0.33CS..Hα-helixtrans-86.3-15.4-174.100000114.9A131A131-G135 WeakPolarHBondContact O-CA 3.43Å; A131-G135 PolarHBondContact O-N 3.19Å
136G98Very high97.9Very high30 Ų3053.7 Ų53.731%0.30932%0.317SS..  trans62.4-179.5-17100000113L132 G138 S139L132-G136 WeakPolarHBondContact O-CA 3.46Å; L132-G136 PolarHBondContact O-N 3.45Å; G136-G138 PolarHBondContact O-N 3.38Å; G136-S139 PolarHBondContact O-N 2.91Å; G136-S139 VanDerWaalsContact O-N 3.16Å; G136-S139 PolarHBondContact O-OG 2.98Å
137V98.3Very high97.7Very high105 Ų10558.3 Ų58.364%0.63633%0.331SS*.Hα-helixtrans-59.4-23.8177.969.50000112.8S139 I140 V141V137-S139 PolarHBondContact O-N 2.67Å; V137-I140 WeakPolarHBondContact O-CB 3.48Å; V137-I140 PolarHBondContact O-N 3.35Å; V137-I140 VanDerWaalsContact O-N 3.13Å; V137-V141 WeakPolarHBondContact O-CG2 3.47Å; V137-V141 PolarHBondContact O-N 2.84Å
138G98.1Very high97.3Very high24 Ų2461.9 Ų61.925%0.24735%0.346CS..Hα-helixtrans-61-29.1178.200000114G136 V141 R142G136-G138 PolarHBondContact O-N 3.38Å; G138-V141 PolarHBondContact O-N 3.3Å; G138-R142 WeakPolarHBondContact O-CG 3.42Å; G138-R142 PolarHBondContact O-N 2.91Å; G138-R142 VanDerWaalsContact O-N 3.08Å; G138-R142 PolarHBondContact O-NH1 3.33Å; G138-R142 VanDerWaalsContact O-NH1 3.08Å
139S98.2Very high97Very high0 Ų062.7 Ų62.70%035%0.354CS..Hα-helixtrans-66.7-40.1175.463.80000111.3D103 M106 G136 V137 R142 V143D103-S139 WeakPolarHBondContact OD1-CA 3.36Å; D103-S139 WeakPolarHBondContact OD1-CB 3.26Å; M106-S139 WeakPolarHBondContact CE-OG 3.25Å; G136-S139 PolarHBondContact O-N 2.91Å; G136-S139 VanDerWaalsContact O-N 3.16Å; G136-S139 PolarHBondContact O-OG 2.98Å; V137-S139 PolarHBondContact O-N 2.67Å; S139-R142 PolarHBondContact O-N 3.13Å; S139-V143 PolarHBondContact O-N 3.06Å
140I98.6Very high96.7Very high24 Ų2458 Ų5812%0.12333%0.333CS..Hα-helixtrans-66-46173.7-58.5175.2000110.7M106 Y110 L132 V137 R142 V143 L144M106-I140 HydrophobicContact CE-CG1 4.1Å; M106-I140 HydrophobicContact CG-CG1 4.21Å; M106-I140 HydrophobicContact SD-CG1 4.14Å; Y110-I140 HydrophobicContact CE2-CG1 4.08Å; Y110-I140 HydrophobicContact CE2-CG2 4.12Å; Y110-I140 VanDerWaalsContact OH-CG2 3.26Å; Y110-I140 WeakPolarHBondContact OH-CG2 3.45Å; L132-I140 HydrophobicContact CD1-CD1 3.91Å; V137-I140 WeakPolarHBondContact O-CB 3.48Å; V137-I140 PolarHBondContact O-N 3.35Å; V137-I140 VanDerWaalsContact O-N 3.13Å; I140-R142 PolarHBondContact O-N 2.99Å; I140-V143 WeakPolarHBondContact O-CA 3.4Å; I140-V143 VanDerWaalsContact O-CB 3.27Å; I140-V143 WeakPolarHBondContact O-CB 3.42Å; I140-V143 PolarHBondContact O-N 2.61Å; I140-L144 HydrophobicContact CG2-CD1 4.48Å; I140-L144 PolarHBondContact O-N 3.19Å; I140-L144 VanDerWaalsContact O-N 3.12Å
141V98.6Very high96.7Very high72 Ų7258.5 Ų58.544%0.43634%0.339SS..Hα-helixtrans-53.7-42.1176.5173.20000110.4V137 G138 V143 L144 T145V137-V141 WeakPolarHBondContact O-CG2 3.47Å; V137-V141 PolarHBondContact O-N 2.84Å; G138-V141 PolarHBondContact O-N 3.3Å; V141-V143 VanDerWaalsContact C-N 3.29Å; V141-V143 PolarHBondContact O-N 2.82Å; V141-L144 PolarHBondContact O-N 3.29Å; V141-L144 VanDerWaalsContact O-N 3.14Å; V141-T145 HydrophobicContact CG1-CG2 4.18Å; V141-T145 WeakPolarHBondContact O-CG2 3.12Å; V141-T145 PolarHBondContact O-N 3.46Å; V141-T145 PolarHBondContact O-OG1 3.29Å; V141-T145 VanDerWaalsContact O-OG1 3.13Å
142R98.2Very high96.6Very high83 Ų8361.6 Ų61.631%0.31336%0.356SS..Hα-helixtrans-70.9-16.7176.6-73.9-174.1-69-75.2-0.3114.7D103 G138 S139 I140 A146D103-R142 IonicContact OD1-CZ 3.43Å; D103-R142 IonicContact OD1-NE 2.84Å; D103-R142 PolarHBondContact OD1-NE 3.41Å; D103-R142 IonicContact OD1-NH2 2.69Å; D103-R142 PolarHBondContact OD1-NH2 3.23Å; D103-R142 IonicContact OD2-CZ 3.21Å; D103-R142 IonicContact OD2-NE 2.7Å; D103-R142 PolarHBondContact OD2-NE 3.31Å; D103-R142 IonicContact OD2-NH2 3.59Å; D103-R142 PolarHBondContact OD2-NH2 2.93Å; G138-R142 WeakPolarHBondContact O-CG 3.42Å; G138-R142 PolarHBondContact O-N 2.91Å; G138-R142 VanDerWaalsContact O-N 3.08Å; G138-R142 PolarHBondContact O-NH1 3.33Å; G138-R142 VanDerWaalsContact O-NH1 3.08Å; S139-R142 PolarHBondContact O-N 3.13Å; I140-R142 PolarHBondContact O-N 2.99Å; R142-A146 WeakPolarHBondContact O-CB 3.13Å
143V98.2Very high96.5Very high23 Ų2361.6 Ų61.614%0.13936%0.358CS..Hα-helixtrans-70.8-49.6165.2-179.70000109.2M106 K107 Y110 S139 I140 V141 T145 A146M106-V143 HydrophobicContact CB-CG2 4.15Å; M106-V143 HydrophobicContact CG-CG2 3.74Å; K107-V143 HydrophobicContact CB-CG2 4.48Å; K107-V143 HydrophobicContact CG-CB 4.49Å; K107-V143 HydrophobicContact CG-CG2 3.86Å; Y110-V143 HydrophobicContact CD2-CG1 4.33Å; Y110-V143 HydrophobicContact CD2-CG2 4.15Å; Y110-V143 HydrophobicContact CG-CG1 4.06Å; S139-V143 PolarHBondContact O-N 3.06Å; I140-V143 WeakPolarHBondContact O-CA 3.4Å; I140-V143 VanDerWaalsContact O-CB 3.27Å; I140-V143 WeakPolarHBondContact O-CB 3.42Å; I140-V143 PolarHBondContact O-N 2.61Å; V141-V143 VanDerWaalsContact C-N 3.29Å; V141-V143 PolarHBondContact O-N 2.82Å; V143-T145 VanDerWaalsContact C-N 3.33Å; V143-T145 PolarHBondContact O-N 3.17Å; V143-A146 PolarHBondContact O-N 2.87Å
144L97.8Very high96.4Very high133 Ų13360.3 Ų60.370%0.69634%0.339SS*.Hα-helixtrans-66.6-32.6-175.6-59.4176.6000113.3I140 V141I140-L144 HydrophobicContact CG2-CD1 4.48Å; I140-L144 PolarHBondContact O-N 3.19Å; I140-L144 VanDerWaalsContact O-N 3.12Å; V141-L144 PolarHBondContact O-N 3.29Å; V141-L144 VanDerWaalsContact O-N 3.14Å
145T97.3Very high96.3Very high94 Ų9459.2 Ų59.258%0.57733%0.331SS*.THydrogen-bonded Turntrans-93.9-4.1-176.6630000113.8V141 V143 R147V141-T145 HydrophobicContact CG1-CG2 4.18Å; V141-T145 WeakPolarHBondContact O-CG2 3.12Å; V141-T145 PolarHBondContact O-N 3.46Å; V141-T145 PolarHBondContact O-OG1 3.29Å; V141-T145 VanDerWaalsContact O-OG1 3.13Å; V143-T145 VanDerWaalsContact C-N 3.33Å; V143-T145 PolarHBondContact O-N 3.17Å; T145-R147 PolarHBondContact O-N 3.21Å
146A95.1Very high96.3Very high33 Ų3361.9 Ų61.927%0.27334%0.34SS..  trans-74119.2-178.200000111.1R142 V143R142-A146 WeakPolarHBondContact O-CB 3.13Å; V143-A146 PolarHBondContact O-N 2.87Å
147R92.3Very high96.2Very high172 Ų17264.1 Ų64.165%0.64934%0.342SS*.SBendtrans-76.6-35.1172.7-58.3-64.7-72.2-157.8-0.3112.2D25 T145D25-R147 IonicContact OD1-CZ 2.75Å; D25-R147 IonicContact OD1-NE 3.32Å; D25-R147 PolarHBondContact OD1-NE 3.39Å; D25-R147 IonicContact OD1-NH2 2.74Å; D25-R147 PolarHBondContact OD1-NH2 3.3Å; D25-R147 VanDerWaalsContact OD1-NH2 3.14Å; D25-R147 IonicContact OD2-CZ 3.55Å; D25-R147 IonicContact OD2-NE 3.34Å; D25-R147 PolarHBondContact OD2-NE 3.07Å; D25-R147 IonicContact OD2-NH2 3.75Å; D25-R147 PolarHBondContact OD2-NH2 2.84Å; T145-R147 PolarHBondContact O-N 3.21Å
148K90.4Very high96Very high75 Ų7561 Ų6133%0.32632%0.319SS..SBendtrans-110.1117.6171.4-59.9178.8-175.5172.20107.9E26 D28 I63 N64E26-K148 WeakPolarHBondContact O-CE 3.35Å; E26-K148 PolarHBondContact O-NZ 3.19Å; D28-K148 VanDerWaalsContact CB-NZ 3.31Å; I63-K148 HydrophobicContact CG2-CB 3.68Å; N64-K148 WeakPolarHBondContact OD1-CD 3.18Å
149T93.2Very high95.8Very high52 Ų5264.1 Ų64.132%0.31933%0.325SS..  trans-132.1163.2-178.4-165.30000110.9K71K71-T149 PolarHBondContact NZ-O 3.29Å
150V92.4Very high95.6Very high8 Ų869.9 Ų69.95%0.04836%0.355CS..  trans-56.60-179.5-65.90000111.2P61 I63 K71 L104 K107 Y108 R111P61-V150 HydrophobicContact CB-CG1 4.06Å; I63-V150 HydrophobicContact CG1-CG1 4Å; K71-V150 VanDerWaalsContact CB-OXT 3.3Å; K71-V150 WeakPolarHBondContact CB-OXT 3.47Å; K71-V150 WeakPolarHBondContact CD-OXT 3.19Å; K71-V150 WeakPolarHBondContact CG-OXT 2.93Å; L104-V150 HydrophobicContact CD1-CG1 3.59Å; K107-V150 HydrophobicContact CB-CG2 3.83Å; Y108-V150 HydrophobicContact CD1-CB 4.16Å; Y108-V150 HydrophobicContact CD1-CG2 3.78Å; Y108-V150 HydrophobicContact CD2-CG1 4.31Å; Y108-V150 HydrophobicContact CD2-CG2 4.46Å; Y108-V150 HydrophobicContact CE1-CB 3.66Å; Y108-V150 HydrophobicContact CE1-CG1 4.01Å; Y108-V150 HydrophobicContact CE1-CG2 3.83Å; Y108-V150 HydrophobicContact CE2-CB 4.28Å; Y108-V150 HydrophobicContact CE2-CG1 3.7Å; Y108-V150 HydrophobicContact CG-CG2 4.11Å; R111-V150 PolarHBondContact NH1-O 3.37Å; R111-V150 PolarHBondContact NH1-OXT 3.33Å

Retrieved 150 of 150 residues in 68 ms (Link to these results)

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