A0A7N9CM48_MACFA Loading...

N-alpha-acetyltransferase 40

N-alpha-acetyltransferase that specifically mediates the acetylation of the N-terminal residues of histones H4 and H2A. In contrast to other N-alpha-acetyltransferase, has a very specific selectivity for histones H4 and H2A N-terminus and specifically recognizes the 'Ser-Gly-Arg-Gly sequence'. Acts as a negative regulator of apoptosis. May play a role in hepatic lipid metabolism.

AlphaFold DB , UniProt , Accession A0A7N9CM48, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene NAA40, Length 237 aa.

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

 

Download Structure   PDB   PAE   Table  
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
1M49.1Very low70.6Confident251 Ų251136.5 Ų136.5100%1.23669%0.689SS**  018.10-80.7-171.7-97.800115.3
2G56.4Low72.1Confident60 Ų60138.4 Ų138.462%0.61969%0.689SS**  trans-97.2-16.1-171.400000118.9
3R54.2Low73.5Confident222 Ų222135 Ų13584%0.83867%0.67SS**Hα-helixtrans-77.9-26.7-168.3-83.9178.2166.9167-4.5115.9
4K56.3Low74.7Confident191 Ų191134.5 Ų134.583%0.8366%0.662SS**Hα-helixtrans-72.8-30.7-178.6-79.3-175175.7-179.30113.2
5S64.5Low75.7Confident72 Ų72135.9 Ų135.950%0.50366%0.657SS.*Hα-helixtrans-74.3-37.4-179-173.50000112.6A8 K9S5-A8 PolarHBondContact O-N 3.12Å; S5-K9 WeakPolarHBondContact O-CG 3.38Å; S5-K9 PolarHBondContact O-N 2.81Å; S5-K9 VanDerWaalsContact O-N 3.16Å
6S74.4Confident76.7Confident76 Ų76134 Ų13453%0.53165%0.65SS.*Hα-helixtrans-65-47178.7-165.70000112.5A8 K9 E10S6-A8 VanDerWaalsContact C-N 3.29Å; S6-A8 PolarHBondContact O-N 3.07Å; S6-K9 PolarHBondContact O-N 3.11Å; S6-E10 WeakPolarHBondContact O-CB 3.38Å; S6-E10 PolarHBondContact O-N 2.98Å
7K78Confident77.6Confident158 Ų158132.6 Ų132.669%0.68764%0.642SS**Hα-helixtrans-62-35.1178.7-72.6-170.1173.3-169.60113K11K7-K11 WeakPolarHBondContact O-CB 3.42Å; K7-K11 PolarHBondContact O-N 3.01Å
8A81.9Confident78.3Confident61 Ų61131.1 Ų131.150%0.50463%0.634SS.*Hα-helixtrans-71.2-39.1177.500000112.2S5 S6 K12S5-A8 PolarHBondContact O-N 3.12Å; S6-A8 VanDerWaalsContact C-N 3.29Å; S6-A8 PolarHBondContact O-N 3.07Å; A8-K12 WeakPolarHBondContact O-CB 3.46Å; A8-K12 PolarHBondContact O-N 2.89Å
9K85Confident79Confident151 Ų151133.1 Ų133.166%0.65763%0.634SS**Hα-helixtrans-64.7-45.9174-73.8-177.7178.6-174.20111.7S5 S6 K12 Q13S5-K9 WeakPolarHBondContact O-CG 3.38Å; S5-K9 PolarHBondContact O-N 2.81Å; S5-K9 VanDerWaalsContact O-N 3.16Å; S6-K9 PolarHBondContact O-N 3.11Å; K9-K12 PolarHBondContact O-N 2.8Å; K9-Q13 WeakPolarHBondContact O-CB 2.98Å; K9-Q13 PolarHBondContact O-N 2.65Å
10E87.7Confident79.7Confident132 Ų132129.3 Ų129.362%0.61763%0.626SS**Hα-helixtrans-60.8-46176.9-170.8-178.2176.500111.8S6 K12 Q13 K14S6-E10 WeakPolarHBondContact O-CB 3.38Å; S6-E10 PolarHBondContact O-N 2.98Å; E10-K12 VanDerWaalsContact C-N 3.32Å; E10-K12 PolarHBondContact O-N 3.22Å; E10-Q13 PolarHBondContact O-N 3.18Å; E10-K14 WeakPolarHBondContact O-CB 3.26Å; E10-K14 PolarHBondContact O-N 2.98Å
11K88.6Confident80.3Confident127 Ų127125.8 Ų125.855%0.55262%0.618SS**Hα-helixtrans-61.7-37.6174.9-174.4175.8-178.2176.90112.7K7 R15K7-K11 WeakPolarHBondContact O-CB 3.42Å; K7-K11 PolarHBondContact O-N 3.01Å; K11-R15 WeakPolarHBondContact O-CG 3.49Å; K11-R15 PolarHBondContact O-N 3.02Å
12K89.4Confident82.4Confident160 Ų160117.6 Ų117.670%0.69658%0.578SS**Hα-helixtrans-68.1-42.7176.1-177.4179.6177-176.30111.2A8 K9 E10 R15 L16A8-K12 WeakPolarHBondContact O-CB 3.46Å; A8-K12 PolarHBondContact O-N 2.89Å; K9-K12 PolarHBondContact O-N 2.8Å; E10-K12 VanDerWaalsContact C-N 3.32Å; E10-K12 PolarHBondContact O-N 3.22Å; K12-R15 PolarHBondContact O-N 3.24Å; K12-L16 PolarHBondContact O-N 3.25Å; K12-L16 VanDerWaalsContact O-N 3.11Å
13Q89.8Confident84.3Confident94 Ų94119.1 Ų119.144%0.43957%0.572SS.*Hα-helixtrans-62.8-48.4177.6-177.459.333.300111.1K9 E10 R15 L16 E17K9-Q13 WeakPolarHBondContact O-CB 2.98Å; K9-Q13 PolarHBondContact O-N 2.65Å; E10-Q13 PolarHBondContact O-N 3.18Å; Q13-R15 VanDerWaalsContact C-N 3.3Å; Q13-R15 PolarHBondContact O-N 2.98Å; Q13-L16 WeakPolarHBondContact O-CA 3.44Å; Q13-L16 WeakPolarHBondContact O-CB 3.2Å; Q13-L16 PolarHBondContact O-N 3.19Å; Q13-E17 WeakPolarHBondContact CG-OE1 3.4Å; Q13-E17 PolarHBondContact NE2-OE1 2.85Å; Q13-E17 PolarHBondContact O-N 3.06Å
14K90.6Very high86.2Confident128 Ų128111 Ų11156%0.55755%0.552SS**Hα-helixtrans-55.6-43.9176.7-170.3-178.8-175.6-167.10112.4E10 L16 E17 E18E10-K14 WeakPolarHBondContact O-CB 3.26Å; E10-K14 PolarHBondContact O-N 2.98Å; K14-L16 VanDerWaalsContact C-N 3.3Å; K14-L16 PolarHBondContact O-N 3.26Å; K14-E17 PolarHBondContact O-N 2.89Å; K14-E18 WeakPolarHBondContact CE-OE1 3.23Å; K14-E18 HydrophobicContact CG-CG 4.48Å; K14-E18 IonicContact NZ-OE1 2.69Å; K14-E18 WeakPolarHBondContact O-CB 3.3Å; K14-E18 VanDerWaalsContact O-CG 3.3Å; K14-E18 WeakPolarHBondContact O-CG 3.49Å; K14-E18 PolarHBondContact O-N 3.13Å
15R89.8Confident88.1Confident156 Ų156102.5 Ų102.559%0.58952%0.516SS*.Hα-helixtrans-63.8-34.8175.9-75.3175.2174.7-160-6113.2K11 K12 Q13 R19K11-R15 WeakPolarHBondContact O-CG 3.49Å; K11-R15 PolarHBondContact O-N 3.02Å; K12-R15 PolarHBondContact O-N 3.24Å; Q13-R15 VanDerWaalsContact C-N 3.3Å; Q13-R15 PolarHBondContact O-N 2.98Å; R15-R19 WeakPolarHBondContact O-CB 3.37Å; R15-R19 PolarHBondContact O-N 3.02Å
16L91.3Very high89.6Confident105 Ų105101.3 Ų101.355%0.5551%0.507SS..Hα-helixtrans-69.5-41.5177.3-173.168.5000110.7K12 Q13 K14 R19 A20K12-L16 PolarHBondContact O-N 3.25Å; K12-L16 VanDerWaalsContact O-N 3.11Å; Q13-L16 WeakPolarHBondContact O-CA 3.44Å; Q13-L16 WeakPolarHBondContact O-CB 3.2Å; Q13-L16 PolarHBondContact O-N 3.19Å; K14-L16 VanDerWaalsContact C-N 3.3Å; K14-L16 PolarHBondContact O-N 3.26Å; L16-R19 PolarHBondContact O-N 2.88Å; L16-A20 WeakPolarHBondContact O-CB 3.35Å; L16-A20 PolarHBondContact O-N 3.07Å
17E91.5Very high90.7Very high110 Ų110100.1 Ų100.151%0.51450%0.502SS..Hα-helixtrans-65.3-46.1175.4-71.9166.1-170.400112Q13 K14 R19 A20 A21Q13-E17 WeakPolarHBondContact CG-OE1 3.4Å; Q13-E17 PolarHBondContact NE2-OE1 2.85Å; Q13-E17 PolarHBondContact O-N 3.06Å; K14-E17 PolarHBondContact O-N 2.89Å; E17-R19 VanDerWaalsContact C-N 3.3Å; E17-R19 PolarHBondContact O-N 2.93Å; E17-A20 PolarHBondContact O-N 3.49Å; E17-A21 VanDerWaalsContact O-CB 3.31Å; E17-A21 WeakPolarHBondContact O-CB 3.21Å; E17-A21 PolarHBondContact O-N 3.05Å
18E90.3Very high91.7Very high105 Ų10595 Ų9549%0.49148%0.479SS..Hα-helixtrans-58.1-42.6174.8-74.6168.1176.200111.4K14 M22K14-E18 WeakPolarHBondContact CE-OE1 3.23Å; K14-E18 HydrophobicContact CG-CG 4.48Å; K14-E18 IonicContact NZ-OE1 2.69Å; K14-E18 WeakPolarHBondContact O-CB 3.3Å; K14-E18 VanDerWaalsContact O-CG 3.3Å; K14-E18 WeakPolarHBondContact O-CG 3.49Å; K14-E18 PolarHBondContact O-N 3.13Å; E18-M22 PolarHBondContact O-N 2.79Å
19R92.1Very high92.5Very high170 Ų17092.5 Ų92.564%0.64246%0.458SS*.Hα-helixtrans-66.1-47.8176.2-175.5178.2-178.9-1753.2111.9R15 L16 E17 A21 M22 D23R15-R19 WeakPolarHBondContact O-CB 3.37Å; R15-R19 PolarHBondContact O-N 3.02Å; L16-R19 PolarHBondContact O-N 2.88Å; E17-R19 VanDerWaalsContact C-N 3.3Å; E17-R19 PolarHBondContact O-N 2.93Å; R19-A21 VanDerWaalsContact C-N 3.27Å; R19-A21 PolarHBondContact O-N 2.81Å; R19-M22 PolarHBondContact O-N 3.06Å; R19-D23 VanDerWaalsContact O-CG 3.26Å; R19-D23 PolarHBondContact O-N 2.8Å
20A93.1Very high93.1Very high56 Ų5689.4 Ų89.446%0.46345%0.449SS..Hα-helixtrans-62.5-36.817900000111.9L16 E17 D23 A24L16-A20 WeakPolarHBondContact O-CB 3.35Å; L16-A20 PolarHBondContact O-N 3.07Å; E17-A20 PolarHBondContact O-N 3.49Å; A20-D23 PolarHBondContact O-N 2.92Å; A20-A24 WeakPolarHBondContact O-CB 3.46Å; A20-A24 PolarHBondContact O-N 3.04Å
21A92Very high93.6Very high56 Ų5685.5 Ų85.546%0.46344%0.439SS..Hα-helixtrans-62.6-47.2173.300000111.1E17 R19 D23 A24 V25E17-A21 VanDerWaalsContact O-CB 3.31Å; E17-A21 WeakPolarHBondContact O-CB 3.21Å; E17-A21 PolarHBondContact O-N 3.05Å; R19-A21 VanDerWaalsContact C-N 3.27Å; R19-A21 PolarHBondContact O-N 2.81Å; A21-D23 PolarHBondContact O-N 2.71Å; A21-A24 WeakPolarHBondContact O-CB 3.5Å; A21-A24 PolarHBondContact O-N 2.92Å; A21-V25 WeakPolarHBondContact O-CG2 3.31Å; A21-V25 PolarHBondContact O-N 2.75Å
22M94.1Very high94.1Very high80 Ų8079.6 Ų79.639%0.39441%0.414SS..Hα-helixtrans-62.8-42.3176.6-172.359.46600112.3E18 R19 A24 V25 C26 V128E18-M22 PolarHBondContact O-N 2.79Å; R19-M22 PolarHBondContact O-N 3.06Å; M22-A24 PolarHBondContact O-N 3.13Å; M22-V25 WeakPolarHBondContact O-CB 3.2Å; M22-V25 PolarHBondContact O-N 3.49Å; M22-V25 VanDerWaalsContact O-N 3.13Å; M22-C26 PolarHBondContact O-N 3.41Å; M22-C26 PolarHBondContact O-SG 3.49Å; M22-C26 VanDerWaalsContact O-SG 3.38Å; M22-V128 HydrophobicContact SD-CG1 4.34Å
23D94.9Very high94.5Very high91 Ų9173 Ų7349%0.48739%0.386SS..Hα-helixtrans-60.5-37.1176.6-68.2-20.7000111R19 A20 A21 A27R19-D23 VanDerWaalsContact O-CG 3.26Å; R19-D23 PolarHBondContact O-N 2.8Å; A20-D23 PolarHBondContact O-N 2.92Å; A21-D23 PolarHBondContact O-N 2.71Å; D23-A27 WeakPolarHBondContact O-CB 3.5Å; D23-A27 PolarHBondContact O-N 3.28Å
24A95Very high94.9Very high51 Ų5177.7 Ų77.742%0.42140%0.4SS..Hα-helixtrans-69.2-36175.200000113.2A20 A21 M22 K28A20-A24 WeakPolarHBondContact O-CB 3.46Å; A20-A24 PolarHBondContact O-N 3.04Å; A21-A24 WeakPolarHBondContact O-CB 3.5Å; A21-A24 PolarHBondContact O-N 2.92Å; M22-A24 PolarHBondContact O-N 3.13Å; A24-K28 PolarHBondContact O-N 2.82Å
25V96.3Very high95.3Very high13 Ų1375.2 Ų75.28%0.07939%0.392CS..Hα-helixtrans-62.5-52.8173171.50000109.8A21 M22 A27 K28 V29 V128 E133A21-V25 WeakPolarHBondContact O-CG2 3.31Å; A21-V25 PolarHBondContact O-N 2.75Å; M22-V25 WeakPolarHBondContact O-CB 3.2Å; M22-V25 PolarHBondContact O-N 3.49Å; M22-V25 VanDerWaalsContact O-N 3.13Å; V25-A27 VanDerWaalsContact C-N 3.31Å; V25-A27 PolarHBondContact O-N 2.8Å; V25-K28 PolarHBondContact O-N 3Å; V25-V29 PolarHBondContact O-N 2.83Å; V25-V128 HydrophobicContact CG1-CB 4.45Å; V25-V128 HydrophobicContact CG1-CG1 3.89Å; V25-V128 HydrophobicContact CG1-CG2 3.77Å; V25-E133 HydrophobicContact CG1-CB 3.97Å; V25-E133 WeakPolarHBondContact CG2-OE2 3.34Å
26C96.4Very high95.6Very high47 Ų4771.2 Ų71.232%0.31840%0.4SS..Hα-helixtrans-57.5-42.9177.4-66.70000111.9M22 K28 V29 D30M22-C26 PolarHBondContact O-N 3.41Å; M22-C26 PolarHBondContact O-SG 3.49Å; M22-C26 VanDerWaalsContact O-SG 3.38Å; C26-K28 VanDerWaalsContact C-N 3.28Å; C26-K28 PolarHBondContact O-N 3.25Å; C26-V29 PolarHBondContact O-N 3.14Å; C26-D30 WeakPolarHBondContact O-CB 3.37Å; C26-D30 VanDerWaalsContact O-CG 3.29Å; C26-D30 PolarHBondContact O-N 3.03Å
27A97.9Very high95.9Very high51 Ų5168 Ų6842%0.42138%0.383SS..Hα-helixtrans-59.7-36.418000000113.2D23 V25 A31D23-A27 WeakPolarHBondContact O-CB 3.5Å; D23-A27 PolarHBondContact O-N 3.28Å; V25-A27 VanDerWaalsContact C-N 3.31Å; V25-A27 PolarHBondContact O-N 2.8Å; A27-A31 VanDerWaalsContact O-CB 3.29Å; A27-A31 WeakPolarHBondContact O-CB 3.46Å; A27-A31 PolarHBondContact O-N 3.18Å
28K98.1Very high96.2Very high50 Ų5063 Ų6322%0.21736%0.36CS..Hα-helixtrans-69.8-44.9176.1-69.6173.3-177.3178.10111.8A24 V25 C26 D30 A31 A32 E133 M168A24-K28 PolarHBondContact O-N 2.82Å; V25-K28 PolarHBondContact O-N 3Å; C26-K28 VanDerWaalsContact C-N 3.28Å; C26-K28 PolarHBondContact O-N 3.25Å; K28-D30 VanDerWaalsContact C-N 3.33Å; K28-D30 PolarHBondContact O-N 3.49Å; K28-A31 PolarHBondContact O-N 3.48Å; K28-A32 WeakPolarHBondContact O-CB 3.41Å; K28-A32 PolarHBondContact O-N 3.16Å; K28-E133 HydrophobicContact CB-CG 4.47Å; K28-E133 HydrophobicContact CD-CG 3.9Å; K28-E133 WeakPolarHBondContact CD-OE1 3.28Å; K28-E133 IonicContact NZ-OE1 2.8Å; K28-E133 PolarHBondContact NZ-OE1 3.47Å; K28-M168 HydrophobicContact CB-CE 3.89Å
29V98.4Very high96.6Very high9 Ų958 Ų586%0.05534%0.337CS..Hα-helixtrans-61-44.6176.6171.90000110.6V25 C26 A31 A32 N33 F126 D127 V128 E133 M168V25-V29 PolarHBondContact O-N 2.83Å; C26-V29 PolarHBondContact O-N 3.14Å; V29-A31 VanDerWaalsContact C-N 3.32Å; V29-A31 PolarHBondContact O-N 3Å; V29-A32 PolarHBondContact O-N 3.39Å; V29-N33 WeakPolarHBondContact O-CB 3.47Å; V29-N33 PolarHBondContact O-N 3.06Å; V29-N33 PolarHBondContact O-ND2 2.9Å; V29-F126 HydrophobicContact CG1-CB 4.37Å; V29-F126 WeakPolarHBondContact CG1-O 3.39Å; V29-D127 WeakPolarHBondContact CG2-O 3.47Å; V29-V128 HydrophobicContact CG2-CG2 3.88Å; V29-E133 HydrophobicContact CG2-CB 3.8Å; V29-M168 HydrophobicContact CG2-CE 4.4Å; V29-M168 HydrophobicContact CG2-SD 4.3Å
30D98.3Very high96.8Very high87 Ų8756.4 Ų56.447%0.46534%0.337SS..Hα-helixtrans-64.1-36.7176.5-71.8-20000112.4C26 K28 R34C26-D30 WeakPolarHBondContact O-CB 3.37Å; C26-D30 VanDerWaalsContact O-CG 3.29Å; C26-D30 PolarHBondContact O-N 3.03Å; K28-D30 VanDerWaalsContact C-N 3.33Å; K28-D30 PolarHBondContact O-N 3.49Å; D30-R34 WeakPolarHBondContact O-CB 3.44Å; D30-R34 VanDerWaalsContact O-CG 3.31Å; D30-R34 WeakPolarHBondContact O-CG 3.41Å; D30-R34 PolarHBondContact O-N 2.86Å; D30-R34 PolarHBondContact O-NE 2.89Å
31A98.4Very high96.9Very high49 Ų4957.2 Ų57.241%0.40534%0.344SS..Hα-helixtrans-67.4-44.517600000111.3A27 K28 V29 N33 R34A27-A31 VanDerWaalsContact O-CB 3.29Å; A27-A31 WeakPolarHBondContact O-CB 3.46Å; A27-A31 PolarHBondContact O-N 3.18Å; K28-A31 PolarHBondContact O-N 3.48Å; V29-A31 VanDerWaalsContact C-N 3.32Å; V29-A31 PolarHBondContact O-N 3Å; A31-N33 VanDerWaalsContact C-N 3.34Å; A31-N33 PolarHBondContact O-N 3.34Å; A31-R34 PolarHBondContact O-N 3.29Å; A31-R34 VanDerWaalsContact O-N 3.16Å
32A98.4Very high97.1Very high3 Ų356.4 Ų56.43%0.02533%0.33CS..Hα-helixtrans-61.1-43.6176.300000111.5K28 V29 R34 L35 F126 T166 M168K28-A32 WeakPolarHBondContact O-CB 3.41Å; K28-A32 PolarHBondContact O-N 3.16Å; V29-A32 PolarHBondContact O-N 3.39Å; A32-R34 VanDerWaalsContact C-N 3.29Å; A32-R34 PolarHBondContact O-N 2.91Å; A32-L35 WeakPolarHBondContact O-CB 3.49Å; A32-L35 VanDerWaalsContact O-CG 3.32Å; A32-L35 WeakPolarHBondContact O-CG 3.41Å; A32-L35 PolarHBondContact O-N 2.95Å; A32-F126 HydrophobicContact CB-CB 4.03Å; A32-F126 HydrophobicContact CB-CD1 3.83Å; A32-F126 HydrophobicContact CB-CD2 3.77Å; A32-F126 HydrophobicContact CB-CE1 4.18Å; A32-F126 HydrophobicContact CB-CE2 4.13Å; A32-F126 HydrophobicContact CB-CG 3.6Å; A32-F126 HydrophobicContact CB-CZ 4.32Å; A32-T166 HydrophobicContact CB-CG2 3.92Å; A32-M168 HydrophobicContact CB-CE 4.43Å
33N98.4Very high97.2Very high23 Ų2356.7 Ų56.712%0.12334%0.338CS..Hα-helixtrans-67.8-26.8176.7-80.7-49000112.5V29 A31 L35 R61 W107 F126V29-N33 WeakPolarHBondContact O-CB 3.47Å; V29-N33 PolarHBondContact O-N 3.06Å; V29-N33 PolarHBondContact O-ND2 2.9Å; A31-N33 VanDerWaalsContact C-N 3.34Å; A31-N33 PolarHBondContact O-N 3.34Å; N33-L35 PolarHBondContact O-N 3.19Å; N33-R61 PolarHBondContact O-NH2 2.6Å; N33-W107 PolarHBondContact OD1-NE1 2.8Å; N33-W107 VanDerWaalsContact OD1-NE1 3.13Å; N33-F126 PolarHBondContact ND2-O 2.76Å; N33-F126 VanDerWaalsContact ND2-O 3.08Å
34R98.1Very high97.3Very high192 Ų19258.1 Ų58.173%0.72535%0.349SS*.THydrogen-bonded Turntrans-75.5-6.1176.6-83.1178.2-85.2165-11.3114.8D30 A31 A32D30-R34 WeakPolarHBondContact O-CB 3.44Å; D30-R34 VanDerWaalsContact O-CG 3.31Å; D30-R34 WeakPolarHBondContact O-CG 3.41Å; D30-R34 PolarHBondContact O-N 2.86Å; D30-R34 PolarHBondContact O-NE 2.89Å; A31-R34 PolarHBondContact O-N 3.29Å; A31-R34 VanDerWaalsContact O-N 3.16Å; A32-R34 VanDerWaalsContact C-N 3.29Å; A32-R34 PolarHBondContact O-N 2.91Å
35L97.9Very high97.5Very high75 Ų7558.7 Ų58.739%0.39334%0.343SS..  trans-63147.4175-64.1174.7000111.3A32 N33 P38 W107 T166A32-L35 WeakPolarHBondContact O-CB 3.49Å; A32-L35 VanDerWaalsContact O-CG 3.32Å; A32-L35 WeakPolarHBondContact O-CG 3.41Å; A32-L35 PolarHBondContact O-N 2.95Å; N33-L35 PolarHBondContact O-N 3.19Å; L35-P38 HydrophobicContact CB-CG 4.22Å; L35-P38 HydrophobicContact CD1-CB 4.25Å; L35-P38 HydrophobicContact CD1-CG 4.27Å; L35-W107 VanDerWaalsContact O-CH2 3.31Å; L35-W107 WeakPolarHBondContact O-CH2 3.42Å; L35-T166 HydrophobicContact CD1-CG2 3.7Å
36G97.6Very high97.5Very high73 Ų7361.4 Ų61.475%0.75335%0.353SS*.SBendtrans-77.1-49.9169.900000111.7
37D97.8Very high97.6Very high36 Ų3664.1 Ų64.119%0.19336%0.36CS..  trans-138.9102.4177.4175.39.6000110.2L39 E40 K46D37-L39 PolarHBondContact O-N 2.97Å; D37-L39 VanDerWaalsContact O-N 3.13Å; D37-L39 WeakPolarHBondContact OD1-CA 3.39Å; D37-L39 VanDerWaalsContact OD1-CB 3.23Å; D37-L39 WeakPolarHBondContact OD1-CB 3.32Å; D37-L39 PolarHBondContact OD1-N 3.46Å; D37-E40 HydrophobicContact CB-CB 4.11Å; D37-E40 WeakPolarHBondContact O-CB 3.38Å; D37-E40 PolarHBondContact O-N 3.27Å; D37-E40 PolarHBondContact OD1-N 2.88Å; D37-K46 WeakPolarHBondContact OD2-CE 3.46Å; D37-K46 IonicContact OD2-NZ 2.81Å; D37-K46 PolarHBondContact OD2-NZ 2.93Å
38P97.6Very high97.7Very high6 Ų662 Ų624%0.03934%0.341CS..THydrogen-bonded Turntrans-59.9-19.8176.1-25.835.4000114.6L35 W107 F126 M162L35-P38 HydrophobicContact CB-CG 4.22Å; L35-P38 HydrophobicContact CD1-CB 4.25Å; L35-P38 HydrophobicContact CD1-CG 4.27Å; P38-W107 HydrophobicContact CG-CD2 4.31Å; P38-W107 HydrophobicContact CG-CE3 4Å; P38-W107 HydrophobicContact CG-CH2 3.83Å; P38-W107 HydrophobicContact CG-CZ2 4.12Å; P38-W107 HydrophobicContact CG-CZ3 3.76Å; P38-F126 HydrophobicContact CB-CE2 4.39Å; P38-F126 HydrophobicContact CB-CZ 4.37Å; P38-F126 HydrophobicContact CG-CE2 4.11Å; P38-M162 HydrophobicContact CB-CG 4.32Å; P38-M162 HydrophobicContact CB-SD 3.66Å
39L97.8Very high97.6Very high0 Ų064.1 Ų64.10%036%0.355CS..THydrogen-bonded Turntrans-86.9-8.1178-169.959.9000112.8D37 A41 F42 K46 I57 C59 L109 I158 M162D37-L39 PolarHBondContact O-N 2.97Å; D37-L39 VanDerWaalsContact O-N 3.13Å; D37-L39 WeakPolarHBondContact OD1-CA 3.39Å; D37-L39 VanDerWaalsContact OD1-CB 3.23Å; D37-L39 WeakPolarHBondContact OD1-CB 3.32Å; D37-L39 PolarHBondContact OD1-N 3.46Å; L39-A41 VanDerWaalsContact C-N 3.25Å; L39-A41 PolarHBondContact O-N 2.99Å; L39-F42 HydrophobicContact CD1-CB 4.26Å; L39-F42 CarbonylContact O-C 3.51Å; L39-F42 PolarHBondContact O-N 2.94Å; L39-K46 HydrophobicContact CD2-CG 3.75Å; L39-K46 HydrophobicContact CG-CG 3.86Å; L39-K46 WeakPolarHBondContact O-CE 3.32Å; L39-I57 HydrophobicContact CD2-CG2 4.01Å; L39-C59 HydrophobicContact CB-CB 3.66Å; L39-C59 HydrophobicContact CD2-CB 4.26Å; L39-L109 HydrophobicContact CD2-CD1 3.78Å; L39-I158 HydrophobicContact CD1-CG2 3.4Å; L39-I158 VanDerWaalsContact CD1-CG2 3.4Å; L39-M162 HydrophobicContact CB-SD 4.4Å
40E96.8Very high97.6Very high137 Ų13770.5 Ų70.564%0.6438%0.378SS*.THydrogen-bonded Turntrans-58.5-36.4-176.6-171.7176.3-177.700112.7D37 F42D37-E40 HydrophobicContact CB-CB 4.11Å; D37-E40 WeakPolarHBondContact O-CB 3.38Å; D37-E40 PolarHBondContact O-N 3.27Å; D37-E40 PolarHBondContact OD1-N 2.88Å; E40-F42 PolarHBondContact O-N 3.14Å; E40-F42 VanDerWaalsContact O-N 3.07Å
41A94.6Very high97.6Very high73 Ų7371.6 Ų71.660%0.60338%0.383SS*.THydrogen-bonded Turntrans-64.7-11.3177.400000113.9L39 P43L39-A41 VanDerWaalsContact C-N 3.25Å; L39-A41 PolarHBondContact O-N 2.99Å; A41-P43 VanDerWaalsContact C-CD 3.49Å
42F96.8Very high97.5Very high38 Ų3872.8 Ų72.817%0.16740%0.401CS..  trans-130.258.6-171.8-49.6-70.2000112.4L39 E40 V44 F45 L161 M162 S165L39-F42 HydrophobicContact CD1-CB 4.26Å; L39-F42 CarbonylContact O-C 3.51Å; L39-F42 PolarHBondContact O-N 2.94Å; E40-F42 PolarHBondContact O-N 3.14Å; E40-F42 VanDerWaalsContact O-N 3.07Å; F42-V44 PolarHBondContact O-N 3.28Å; F42-V44 VanDerWaalsContact O-N 3.12Å; F42-F45 HydrophobicContact CB-CB 4.21Å; F42-F45 HydrophobicContact CB-CD2 3.9Å; F42-F45 HydrophobicContact CB-CG 4.42Å; F42-F45 WeakPolarHBondContact O-CB 3.34Å; F42-F45 PolarHBondContact O-N 3.23Å; F42-L161 HydrophobicContact CD1-CB 4.4Å; F42-L161 HydrophobicContact CD1-CD1 4.41Å; F42-L161 HydrophobicContact CD2-CB 4.29Å; F42-L161 HydrophobicContact CE1-CB 4.07Å; F42-L161 HydrophobicContact CE1-CD2 4.36Å; F42-L161 HydrophobicContact CE2-CB 3.95Å; F42-L161 HydrophobicContact CG-CB 4.48Å; F42-L161 HydrophobicContact CZ-CB 3.81Å; F42-L161 WeakPolarHBondContact CZ-O 3.29Å; F42-M162 HydrophobicContact CD2-CG 4.48Å; F42-M162 HydrophobicContact CE2-CG 4.28Å; F42-S165 WeakPolarHBondContact CE2-OG 3.45Å
43P96.8Very high97.5Very high87 Ų8773 Ų7357%0.56540%0.401SS*.G310 helixtrans-59.6-32-173.124.4-34.7000113.4A41 F45 K46A41-P43 VanDerWaalsContact C-CD 3.49Å; P43-F45 PolarHBondContact O-N 2.8Å; P43-K46 WeakPolarHBondContact O-CB 3.48Å; P43-K46 PolarHBondContact O-N 3.13Å; P43-K46 VanDerWaalsContact O-N 3.11Å
44V97.1Very high97.5Very high121 Ų12175.9 Ų75.973%0.73342%0.416SS*.G310 helixtrans-63.4-25.4176.71790000112.3F42F42-V44 PolarHBondContact O-N 3.28Å; F42-V44 VanDerWaalsContact O-N 3.12Å
45F97.4Very high97.5Very high63 Ų6366.8 Ų66.828%0.27638%0.382SS..G310 helixtrans-89.4-2179.4-67.1-95.8000113.2F42 P43 K47 F154 I158 L161F42-F45 HydrophobicContact CB-CB 4.21Å; F42-F45 HydrophobicContact CB-CD2 3.9Å; F42-F45 HydrophobicContact CB-CG 4.42Å; F42-F45 WeakPolarHBondContact O-CB 3.34Å; F42-F45 PolarHBondContact O-N 3.23Å; P43-F45 PolarHBondContact O-N 2.8Å; F45-K47 PolarHBondContact O-N 3.15Å; F45-F154 HydrophobicContact CB-CZ 4.23Å; F45-F154 AromaticContact CD1-CE2 3.55Å; F45-F154 HydrophobicContact CD1-CE2 3.55Å; F45-F154 AromaticContact CD1-CZ 3.56Å; F45-F154 HydrophobicContact CD1-CZ 3.56Å; F45-F154 AromaticContact CE1-CE2 3.92Å; F45-F154 HydrophobicContact CE1-CE2 3.92Å; F45-F154 HydrophobicContact CE1-CZ 4.35Å; F45-F154 HydrophobicContact CG-CZ 4.27Å; F45-I158 HydrophobicContact CB-CD1 4.15Å; F45-I158 HydrophobicContact CB-CG1 3.99Å; F45-I158 HydrophobicContact CD1-CG1 4.19Å; F45-I158 HydrophobicContact CG-CG1 4.47Å; F45-L161 HydrophobicContact CD1-CD1 3.83Å; F45-L161 HydrophobicContact CD2-CD1 3.93Å; F45-L161 HydrophobicContact CE1-CD1 3.67Å; F45-L161 HydrophobicContact CE2-CD1 3.76Å; F45-L161 HydrophobicContact CG-CD1 3.97Å; F45-L161 HydrophobicContact CZ-CD1 3.62Å
46K98.3Very high97.5Very high69 Ų6965.4 Ų65.430%0.338%0.379SS..G310 helixtrans-75.73.1172.3-64-170.7171.4-171.50113.6D37 L39 P43 S56 I57D37-K46 WeakPolarHBondContact OD2-CE 3.46Å; D37-K46 IonicContact OD2-NZ 2.81Å; D37-K46 PolarHBondContact OD2-NZ 2.93Å; L39-K46 HydrophobicContact CD2-CG 3.75Å; L39-K46 HydrophobicContact CG-CG 3.86Å; L39-K46 WeakPolarHBondContact O-CE 3.32Å; P43-K46 WeakPolarHBondContact O-CB 3.48Å; P43-K46 PolarHBondContact O-N 3.13Å; P43-K46 VanDerWaalsContact O-N 3.11Å; K46-S56 CarbonylContact O-C 3.55Å; K46-S56 WeakPolarHBondContact O-CA 3.31Å; K46-I57 PolarHBondContact O-N 3.1Å
47K98.1Very high97.6Very high105 Ų10562.2 Ų62.246%0.45734%0.344SS..EExtended strand (participates in β ladder)trans-138.4141.3174.2-168.6-177.6178.8-154.50111F45 D49 N54 V55F45-K47 PolarHBondContact O-N 3.15Å; K47-D49 IonicContact NZ-OD2 3.9Å; K47-D49 PolarHBondContact NZ-OD2 3.37Å; K47-N54 WeakPolarHBondContact CE-OD1 3.43Å; K47-V55 WeakPolarHBondContact CA-O 3.2Å
48Y98.5Very high97.6Very high7 Ų762.9 Ų62.93%0.02735%0.346CS..EExtended strand (participates in β ladder)trans-127.3112.6169.7-175.5-91.5000110.4R50 L53 N54 V55 K149 G150 L151 F154Y48-R50 HydrophobicContact CE1-CB 3.86Å; Y48-R50 HydrophobicContact CE2-CB 4.32Å; Y48-R50 HydrophobicContact CE2-CG 4.32Å; Y48-L53 HydrophobicContact CD1-CB 4.13Å; Y48-L53 HydrophobicContact CD1-CD1 4.39Å; Y48-L53 HydrophobicContact CE1-CB 4.23Å; Y48-L53 HydrophobicContact CE1-CD1 4.13Å; Y48-N54 WeakPolarHBondContact O-CA 3.09Å; Y48-V55 HydrophobicContact CD1-CG2 4.45Å; Y48-V55 PolarHBondContact N-O 3.25Å; Y48-V55 PolarHBondContact O-N 3.36Å; Y48-K149 PolarHBondContact OH-O 3.39Å; Y48-G150 WeakPolarHBondContact OH-CA 3.31Å; Y48-L151 HydrophobicContact CD1-CD1 4.14Å; Y48-L151 HydrophobicContact CE1-CB 4.45Å; Y48-L151 HydrophobicContact CG-CD1 4.11Å; Y48-F154 HydrophobicContact CD2-CB 3.82Å; Y48-F154 AromaticContact CD2-CD1 3.41Å; Y48-F154 HydrophobicContact CD2-CD1 3.41Å; Y48-F154 VanDerWaalsContact CD2-CD1 3.41Å; Y48-F154 AromaticContact CD2-CD2 3.86Å; Y48-F154 HydrophobicContact CD2-CD2 3.86Å; Y48-F154 AromaticContact CD2-CE1 3.8Å; Y48-F154 HydrophobicContact CD2-CE1 3.8Å; Y48-F154 HydrophobicContact CD2-CE2 4.22Å; Y48-F154 AromaticContact CD2-CG 3.42Å; Y48-F154 HydrophobicContact CD2-CG 3.42Å; Y48-F154 VanDerWaalsContact CD2-CG 3.42Å; Y48-F154 HydrophobicContact CD2-CZ 4.17Å; Y48-F154 HydrophobicContact CE2-CB 3.8Å; Y48-F154 HydrophobicContact CE2-CD1 4.26Å; Y48-F154 HydrophobicContact CE2-CD2 4.1Å; Y48-F154 AromaticContact CE2-CG 3.81Å; Y48-F154 HydrophobicContact CE2-CG 3.81Å; Y48-F154 HydrophobicContact CG-CD1 4.05Å; Y48-F154 HydrophobicContact CG-CE1 4.35Å; Y48-F154 HydrophobicContact CG-CG 4.43Å
49D97.9Very high97.7Very high94 Ų9462.8 Ų62.850%0.50335%0.346SS..EExtended strand (participates in β ladder)trans-128.375.4-175.9-162-13.5000110.3K47 L53K47-D49 IonicContact NZ-OD2 3.9Å; K47-D49 PolarHBondContact NZ-OD2 3.37Å; D49-L53 CarbonylContact C-O 3.38Å; D49-L53 VanDerWaalsContact CA-O 3.26Å; D49-L53 WeakPolarHBondContact CA-O 3.25Å
50R97.9Very high97.7Very high143 Ų14366.4 Ų66.454%0.5436%0.362SS..EExtended strand (participates in β ladder)trans-151152-174.4-56.8-178.2-170.8163.55.6110.7Y48 G52 L53Y48-R50 HydrophobicContact CE1-CB 3.86Å; Y48-R50 HydrophobicContact CE2-CB 4.32Å; Y48-R50 HydrophobicContact CE2-CG 4.32Å; R50-G52 PolarHBondContact O-N 2.98Å; R50-L53 PolarHBondContact N-O 3.03Å; R50-L53 PolarHBondContact O-N 3.44Å
51N97.5Very high97.8Very high110 Ų11064 Ų6459%0.58835%0.347SS*.THydrogen-bonded Turntrans54.536.6171.7-55.5-42.1000114L53 K149N51-L53 VanDerWaalsContact C-N 3.32Å; N51-L53 PolarHBondContact O-N 3.13Å; N51-K149 HydrophobicContact CB-CB 4.08Å; N51-K149 HydrophobicContact CB-CG 4.5Å; N51-K149 PolarHBondContact ND2-O 3.45Å; N51-K149 WeakPolarHBondContact O-CD 3.34Å
52G96.9Very high98Very high74 Ų7461.2 Ų61.276%0.76332%0.322SS*.THydrogen-bonded Turntrans7124.5-178.300000114R50R50-G52 PolarHBondContact O-N 2.98Å
53L98.1Very high98Very high6 Ų664 Ų643%0.03135%0.346CS..EExtended strand (participates in β ladder)trans-113.5144.4164.3-64.1-179000109.5Y48 D49 R50 N51 V146 K149 L151Y48-L53 HydrophobicContact CD1-CB 4.13Å; Y48-L53 HydrophobicContact CD1-CD1 4.39Å; Y48-L53 HydrophobicContact CE1-CB 4.23Å; Y48-L53 HydrophobicContact CE1-CD1 4.13Å; D49-L53 CarbonylContact C-O 3.38Å; D49-L53 VanDerWaalsContact CA-O 3.26Å; D49-L53 WeakPolarHBondContact CA-O 3.25Å; R50-L53 PolarHBondContact N-O 3.03Å; R50-L53 PolarHBondContact O-N 3.44Å; N51-L53 VanDerWaalsContact C-N 3.32Å; N51-L53 PolarHBondContact O-N 3.13Å; L53-V146 HydrophobicContact CD1-CB 4.11Å; L53-V146 HydrophobicContact CD2-CB 4.02Å; L53-V146 HydrophobicContact CD2-CG1 3.72Å; L53-K149 HydrophobicContact CD1-CB 3.66Å; L53-K149 HydrophobicContact CD1-CD 3.95Å; L53-K149 HydrophobicContact CD1-CG 4.45Å; L53-K149 HydrophobicContact CD2-CD 3.7Å; L53-K149 HydrophobicContact CG-CB 4.06Å; L53-K149 HydrophobicContact CG-CD 3.58Å; L53-K149 HydrophobicContact CG-CG 4.48Å; L53-L151 HydrophobicContact CD1-CB 3.92Å; L53-L151 HydrophobicContact CD1-CD2 4.17Å
54N97.9Very high98.1Very high84 Ų8462 Ų6245%0.44934%0.341SS..EExtended strand (participates in β ladder)trans-13997.8168.7-179.411.2000107.7K47 Y48K47-N54 WeakPolarHBondContact CE-OD1 3.43Å; Y48-N54 WeakPolarHBondContact O-CA 3.09Å
55V98.6Very high98.1Very high2 Ų257.2 Ų57.21%0.01231%0.312CS..EExtended strand (participates in β ladder)trans-127144.9-176.2-59.60000110.7K47 Y48 A111 W112 E113 V119 L151K47-V55 WeakPolarHBondContact CA-O 3.2Å; Y48-V55 HydrophobicContact CD1-CG2 4.45Å; Y48-V55 PolarHBondContact N-O 3.25Å; Y48-V55 PolarHBondContact O-N 3.36Å; V55-A111 HydrophobicContact CB-CB 4.41Å; V55-A111 HydrophobicContact CG2-CB 4.15Å; V55-W112 CarbonylContact C-O 3.59Å; V55-W112 WeakPolarHBondContact CA-O 3.28Å; V55-W112 WeakPolarHBondContact CB-O 3.33Å; V55-E113 HydrophobicContact CG1-CB 4.22Å; V55-V119 HydrophobicContact CG1-CG2 3.95Å; V55-L151 HydrophobicContact CG2-CD1 3.96Å
56S98.6Very high98.2Very high45 Ų4560.8 Ų60.832%0.31533%0.329SS..EExtended strand (participates in β ladder)trans-87.6154.1163.154.30000109.7K46 A111 W112K46-S56 CarbonylContact O-C 3.55Å; K46-S56 WeakPolarHBondContact O-CA 3.31Å; S56-A111 CarbonylContact O-C 3.48Å; S56-A111 VanDerWaalsContact O-CA 3.31Å; S56-A111 WeakPolarHBondContact O-CA 3.49Å; S56-W112 PolarHBondContact N-O 2.98Å; S56-W112 PolarHBondContact O-N 2.91Å
57I98.8Very high98.2Very high6 Ų661.8 Ų61.83%0.03134%0.343CS..EExtended strand (participates in β ladder)trans-128.2129.8179.5-56.8178.1000108.6L39 K46 L109 I110 A111 F154 L155 I158L39-I57 HydrophobicContact CD2-CG2 4.01Å; K46-I57 PolarHBondContact O-N 3.1Å; I57-L109 HydrophobicContact CG2-CD1 3.52Å; I57-L109 HydrophobicContact CG2-CD2 4.44Å; I57-L109 HydrophobicContact CG2-CG 3.8Å; I57-I110 VanDerWaalsContact CA-O 3.3Å; I57-I110 WeakPolarHBondContact CA-O 3.33Å; I57-A111 HydrophobicContact CG1-CB 4.3Å; I57-F154 HydrophobicContact CD1-CD1 3.57Å; I57-F154 HydrophobicContact CD1-CE1 3.54Å; I57-L155 HydrophobicContact CD1-CD2 4.06Å; I57-L155 HydrophobicContact CG2-CD2 4.38Å; I57-I158 HydrophobicContact CD1-CD1 3.78Å; I57-I158 HydrophobicContact CG2-CD1 4.19Å
58E98.2Very high98.2Very high50 Ų5060.3 Ų60.323%0.23435%0.35CS..EExtended strand (participates in β ladder)trans-124.5152.2173.865.1174.8-162.600111.2K60 L109 I110 W112E58-K60 VanDerWaalsContact CD-NZ 3.26Å; E58-K60 IonicContact OE1-NZ 3.19Å; E58-K60 PolarHBondContact OE1-NZ 3.07Å; E58-K60 WeakPolarHBondContact OE2-CE 3.37Å; E58-K60 IonicContact OE2-NZ 2.65Å; E58-K60 PolarHBondContact OE2-NZ 3.29Å; E58-L109 CarbonylContact O-C 3.48Å; E58-L109 WeakPolarHBondContact O-CA 3.37Å; E58-I110 HydrophobicContact CG-CB 4.42Å; E58-I110 PolarHBondContact N-O 2.8Å; E58-I110 PolarHBondContact O-N 3.42Å; E58-W112 VanDerWaalsContact CD-NE1 3.29Å; E58-W112 PolarHBondContact OE1-NE1 2.88Å
59C98.7Very high98.2Very high5 Ų560.6 Ų60.63%0.03435%0.353CS..EExtended strand (participates in β ladder)trans-117.1126171.2-172.20000109.4L39 Y108 L109L39-C59 HydrophobicContact CB-CB 3.66Å; L39-C59 HydrophobicContact CD2-CB 4.26Å; C59-Y108 CarbonylContact C-O 3.6Å; C59-Y108 VanDerWaalsContact CA-O 3.25Å; C59-Y108 WeakPolarHBondContact CA-O 3.39Å; C59-L109 HydrophobicContact CB-CD1 3.96Å
60K98.4Very high98.3Very high76 Ų7656.9 Ų56.933%0.3333%0.333SS..EExtended strand (participates in β ladder)trans-143.8155.8-178.3-74.5-179.6177.1157.50110.7E58 L65 Y108E58-K60 VanDerWaalsContact CD-NZ 3.26Å; E58-K60 IonicContact OE1-NZ 3.19Å; E58-K60 PolarHBondContact OE1-NZ 3.07Å; E58-K60 WeakPolarHBondContact OE2-CE 3.37Å; E58-K60 IonicContact OE2-NZ 2.65Å; E58-K60 PolarHBondContact OE2-NZ 3.29Å; K60-L65 HydrophobicContact CB-CD2 3.94Å; K60-L65 HydrophobicContact CD-CD2 4.03Å; K60-Y108 PolarHBondContact N-O 3.49Å; K60-Y108 PolarHBondContact O-N 2.9Å
61R98.6Very high98.3Very high86 Ų8653.4 Ų53.433%0.32533%0.325SS..EExtended strand (participates in β ladder)trans-70.4154.9162.3-68.8-170.6164.4-157.4-12.1110.3N33 S63 G64 A106 W107N33-R61 PolarHBondContact O-NH2 2.6Å; R61-S63 PolarHBondContact O-N 3.42Å; R61-G64 PolarHBondContact O-N 2.95Å; R61-A106 WeakPolarHBondContact CA-O 3.45Å; R61-W107 HydrophobicContact CG-CD2 3.84Å; R61-W107 HydrophobicContact CG-CE3 3.79Å; R61-W107 HydrophobicContact CG-CH2 3.6Å; R61-W107 HydrophobicContact CG-CZ2 3.66Å; R61-W107 HydrophobicContact CG-CZ3 3.66Å
62V98.6Very high98.4Very high14 Ų1450 Ų509%0.08530%0.304CS..G310 helixtrans-55.1-36174.969.50000112.4G64 L65 V70 D103 A106 Y108V62-G64 PolarHBondContact O-N 3.2Å; V62-G64 VanDerWaalsContact O-N 3.13Å; V62-L65 WeakPolarHBondContact O-CB 3.46Å; V62-L65 PolarHBondContact O-N 2.94Å; V62-V70 HydrophobicContact CG2-CG2 3.95Å; V62-D103 VanDerWaalsContact CG1-O 3.28Å; V62-D103 WeakPolarHBondContact CG1-O 3.43Å; V62-A106 HydrophobicContact CB-CB 4.1Å; V62-A106 HydrophobicContact CG1-CB 4.1Å; V62-A106 PolarHBondContact N-O 3.24Å; V62-Y108 HydrophobicContact CB-CD2 4.11Å; V62-Y108 HydrophobicContact CB-CE2 3.85Å; V62-Y108 HydrophobicContact CG2-CD2 4.47Å; V62-Y108 HydrophobicContact CG2-CE2 3.88Å
63S97.9Very high98.5Very high96 Ų9646.5 Ų46.567%0.67127%0.268SS*.G310 helixtrans-64.4-15.917766.70000114.3R61R61-S63 PolarHBondContact O-N 3.42Å
64G98Very high98.5Very high45 Ų4546.4 Ų46.446%0.46427%0.268SS..G310 helixtrans-101.35.1176.300000113.8R61 V62R61-G64 PolarHBondContact O-N 2.95Å; V62-G64 PolarHBondContact O-N 3.2Å; V62-G64 VanDerWaalsContact O-N 3.13Å
65L98.3Very high98.5Very high21 Ų2146.5 Ų46.511%0.1127%0.268CS..SBendtrans-94.6147.3175.9-59.6-176.9000110.8K60 V62 V70 Y108 I110K60-L65 HydrophobicContact CB-CD2 3.94Å; K60-L65 HydrophobicContact CD-CD2 4.03Å; V62-L65 WeakPolarHBondContact O-CB 3.46Å; V62-L65 PolarHBondContact O-N 2.94Å; L65-V70 HydrophobicContact CB-CG2 3.89Å; L65-V70 HydrophobicContact CD1-CG2 4.13Å; L65-Y108 HydrophobicContact CD1-CD1 4.1Å; L65-Y108 HydrophobicContact CD1-CD2 3.72Å; L65-Y108 HydrophobicContact CD1-CE2 4.28Å; L65-Y108 HydrophobicContact CD1-CG 3.62Å; L65-I110 HydrophobicContact CD1-CD1 3.92Å; L65-I110 HydrophobicContact CD2-CD1 3.56Å; L65-I110 HydrophobicContact CG-CD1 4.4Å
66E98.2Very high98.6Very high139 Ų13946.8 Ų46.865%0.6527%0.269SS*.  trans-65.5142.6167.7-66.8-63.4157.200109.8A68 T69 V70E66-A68 PolarHBondContact O-N 2.84Å; E66-A68 VanDerWaalsContact O-N 3.14Å; E66-T69 WeakPolarHBondContact O-CA 3.45Å; E66-T69 WeakPolarHBondContact O-CB 3.38Å; E66-T69 PolarHBondContact O-N 3.25Å; E66-V70 PolarHBondContact O-N 2.87Å
67P98.4Very high98.6Very high89 Ų8944.6 Ų44.658%0.57825%0.254SS*.Hα-helixtrans-53.2-39179.4-27.834.9000113.2T69 V70 D71P67-T69 VanDerWaalsContact C-N 3.26Å; P67-T69 PolarHBondContact O-N 3.35Å; P67-V70 WeakPolarHBondContact O-CB 3.36Å; P67-V70 PolarHBondContact O-N 3.03Å; P67-V70 VanDerWaalsContact O-N 3.13Å; P67-D71 PolarHBondContact O-N 3.26Å
68A98.5Very high98.6Very high74 Ų7446.9 Ų46.961%0.61226%0.264SS*.Hα-helixtrans-62.5-30.3177.300000113.3E66 W72E66-A68 PolarHBondContact O-N 2.84Å; E66-A68 VanDerWaalsContact O-N 3.14Å; A68-W72 WeakPolarHBondContact O-CB 3.5Å; A68-W72 PolarHBondContact O-N 3.49Å
69T98.7Very high98.6Very high13 Ų1350 Ų508%0.0829%0.287CS..Hα-helixtrans-74.2-37.4175.7-53.60000111.3E66 P67 W72 A73 I110 W112E66-T69 WeakPolarHBondContact O-CA 3.45Å; E66-T69 WeakPolarHBondContact O-CB 3.38Å; E66-T69 PolarHBondContact O-N 3.25Å; P67-T69 VanDerWaalsContact C-N 3.26Å; P67-T69 PolarHBondContact O-N 3.35Å; T69-W72 HydrophobicContact CG2-CE3 4.31Å; T69-W72 PolarHBondContact O-N 2.91Å; T69-A73 WeakPolarHBondContact O-CB 3.47Å; T69-A73 PolarHBondContact O-N 3.36Å; T69-I110 HydrophobicContact CG2-CD1 3.61Å; T69-W112 HydrophobicContact CG2-CH2 3.95Å; T69-W112 HydrophobicContact CG2-CZ2 4.02Å
70V98.8Very high98.6Very high17 Ų1751.3 Ų51.310%0.10329%0.294CS..Hα-helixtrans-65.3-43.9174.51790000110.6V62 L65 E66 P67 A73 F74 T102V62-V70 HydrophobicContact CG2-CG2 3.95Å; L65-V70 HydrophobicContact CB-CG2 3.89Å; L65-V70 HydrophobicContact CD1-CG2 4.13Å; E66-V70 PolarHBondContact O-N 2.87Å; P67-V70 WeakPolarHBondContact O-CB 3.36Å; P67-V70 PolarHBondContact O-N 3.03Å; P67-V70 VanDerWaalsContact O-N 3.13Å; V70-A73 PolarHBondContact O-N 3.41Å; V70-F74 PolarHBondContact O-N 3.4Å; V70-T102 HydrophobicContact CG1-CG2 3.74Å
71D98.8Very high98.6Very high69 Ų6948.8 Ų48.837%0.36928%0.283SS..Hα-helixtrans-61.4-45.7175.1-74.2-30.2000111.7P67 A73 F74 D75 R98P67-D71 PolarHBondContact O-N 3.26Å; D71-A73 VanDerWaalsContact C-N 3.33Å; D71-A73 PolarHBondContact O-N 3.21Å; D71-F74 PolarHBondContact O-N 3.04Å; D71-D75 WeakPolarHBondContact O-CB 3.5Å; D71-D75 PolarHBondContact O-N 3.07Å; D71-R98 IonicContact OD1-CZ 2.8Å; D71-R98 IonicContact OD1-NH1 2.71Å; D71-R98 PolarHBondContact OD1-NH1 3.08Å; D71-R98 IonicContact OD1-NH2 3.07Å
72W98.9Very high98.6Very high39 Ų3947.6 Ų47.615%0.14828%0.281CS..Hα-helixtrans-56.9-44.9173.9163.679.3000112.4A68 T69 F74 D75 L76 I110 P118 F121 E143A68-W72 WeakPolarHBondContact O-CB 3.5Å; A68-W72 PolarHBondContact O-N 3.49Å; T69-W72 HydrophobicContact CG2-CE3 4.31Å; T69-W72 PolarHBondContact O-N 2.91Å; W72-F74 VanDerWaalsContact C-N 3.35Å; W72-F74 PolarHBondContact O-N 3.39Å; W72-D75 PolarHBondContact O-N 3.12Å; W72-L76 HydrophobicContact CH2-CD2 4.18Å; W72-L76 HydrophobicContact CZ2-CD2 3.6Å; W72-L76 VanDerWaalsContact O-CB 3.27Å; W72-L76 WeakPolarHBondContact O-CB 3.24Å; W72-L76 PolarHBondContact O-N 2.91Å; W72-I110 HydrophobicContact CZ3-CG2 4.32Å; W72-P118 HydrophobicContact CD2-CB 3.84Å; W72-P118 HydrophobicContact CD2-CG 3.58Å; W72-P118 HydrophobicContact CE3-CB 3.72Å; W72-P118 HydrophobicContact CE3-CG 3.86Å; W72-P118 HydrophobicContact CG-CG 3.93Å; W72-P118 HydrophobicContact CH2-CB 3.7Å; W72-P118 HydrophobicContact CH2-CG 4.5Å; W72-P118 HydrophobicContact CZ2-CB 3.82Å; W72-P118 HydrophobicContact CZ2-CG 4.27Å; W72-P118 WeakPolarHBondContact CZ2-O 3.4Å; W72-P118 HydrophobicContact CZ3-CB 3.66Å; W72-P118 HydrophobicContact CZ3-CG 4.31Å; W72-F121 HydrophobicContact CH2-CB 4.02Å; W72-F121 AromaticContact CH2-CD1 3.7Å; W72-F121 HydrophobicContact CH2-CD1 3.7Å; W72-F121 HydrophobicContact CH2-CG 4.31Å; W72-F121 HydrophobicContact CZ3-CB 3.93Å; W72-F121 AromaticContact CZ3-CD1 3.67Å; W72-F121 HydrophobicContact CZ3-CD1 3.67Å; W72-F121 HydrophobicContact CZ3-CG 4.11Å; W72-E143 HydrophobicContact CZ2-CG 4.49Å; W72-E143 PolarHBondContact NE1-OE1 2.97Å
73A98.9Very high98.6Very high1 Ų151 Ų511%0.00830%0.302CS..Hα-helixtrans-63.5-42.4179.900000111.3T69 V70 D71 T77 M101 Y108 F121T69-A73 WeakPolarHBondContact O-CB 3.47Å; T69-A73 PolarHBondContact O-N 3.36Å; V70-A73 PolarHBondContact O-N 3.41Å; D71-A73 VanDerWaalsContact C-N 3.33Å; D71-A73 PolarHBondContact O-N 3.21Å; A73-T77 WeakPolarHBondContact O-CB 3.42Å; A73-T77 PolarHBondContact O-N 3.37Å; A73-T77 PolarHBondContact O-OG1 2.93Å; A73-M101 HydrophobicContact CB-CE 3.89Å; A73-Y108 HydrophobicContact CB-CE1 4.06Å; A73-F121 HydrophobicContact CB-CD1 3.88Å; A73-F121 HydrophobicContact CB-CD2 4.35Å; A73-F121 HydrophobicContact CB-CE1 3.63Å; A73-F121 HydrophobicContact CB-CE2 4.17Å; A73-F121 HydrophobicContact CB-CG 4.24Å; A73-F121 HydrophobicContact CB-CZ 3.81Å; A73-F121 WeakPolarHBondContact O-CE1 3.42Å
74F98.9Very high98.6Very high4 Ų448.6 Ų48.62%0.01828%0.281CS..Hα-helixtrans-62.8-49.2175174.7-91.2000111.8V70 D71 W72 L76 T77 K78 W92 D94 K97 R98 M101V70-F74 PolarHBondContact O-N 3.4Å; D71-F74 PolarHBondContact O-N 3.04Å; W72-F74 VanDerWaalsContact C-N 3.35Å; W72-F74 PolarHBondContact O-N 3.39Å; F74-L76 VanDerWaalsContact C-N 3.32Å; F74-L76 PolarHBondContact O-N 2.98Å; F74-T77 WeakPolarHBondContact O-CB 3.43Å; F74-T77 PolarHBondContact O-N 3.02Å; F74-T77 VanDerWaalsContact O-N 3.13Å; F74-K78 HydrophobicContact CE1-CD 4.11Å; F74-K78 HydrophobicContact CZ-CD 4.42Å; F74-K78 WeakPolarHBondContact O-CB 3.26Å; F74-K78 PolarHBondContact O-N 3.24Å; F74-W92 HydrophobicContact CE2-CZ2 4.29Å; F74-W92 HydrophobicContact CZ-CZ2 4.19Å; F74-D94 WeakPolarHBondContact CE2-O 3.46Å; F74-D94 HydrophobicContact CZ-CB 4.2Å; F74-K97 HydrophobicContact CE2-CB 4.22Å; F74-R98 HydrophobicContact CD2-CB 3.97Å; F74-R98 VanDerWaalsContact CE1-NH2 3.31Å; F74-R98 HydrophobicContact CE2-CB 3.79Å; F74-M101 HydrophobicContact CB-SD 4.32Å; F74-M101 HydrophobicContact CD2-SD 4.15Å
75D98.9Very high98.6Very high85 Ų8547.9 Ų47.946%0.45526%0.264SS..Hα-helixtrans-64.1-38.2-178-73.7-16.8000111.9D71 W72 K78 T79D71-D75 WeakPolarHBondContact O-CB 3.5Å; D71-D75 PolarHBondContact O-N 3.07Å; W72-D75 PolarHBondContact O-N 3.12Å; D75-K78 PolarHBondContact O-N 3.32Å; D75-T79 VanDerWaalsContact O-CB 3.28Å; D75-T79 WeakPolarHBondContact O-CB 3.43Å; D75-T79 PolarHBondContact O-N 2.77Å; D75-T79 PolarHBondContact O-OG1 3.5Å
76L98.9Very high98.6Very high8 Ų851.8 Ų51.84%0.04228%0.282CS..Hα-helixtrans-65.3-42.1173.8-179.660.2000111.2W72 F74 T79 N80 F121 Q141 E143W72-L76 HydrophobicContact CH2-CD2 4.18Å; W72-L76 HydrophobicContact CZ2-CD2 3.6Å; W72-L76 VanDerWaalsContact O-CB 3.27Å; W72-L76 WeakPolarHBondContact O-CB 3.24Å; W72-L76 PolarHBondContact O-N 2.91Å; F74-L76 VanDerWaalsContact C-N 3.32Å; F74-L76 PolarHBondContact O-N 2.98Å; L76-T79 PolarHBondContact O-N 3.2Å; L76-N80 WeakPolarHBondContact CD1-ND2 3.11Å; L76-N80 WeakPolarHBondContact O-CB 3.26Å; L76-N80 PolarHBondContact O-N 3.11Å; L76-N80 PolarHBondContact O-ND2 3.13Å; L76-F121 HydrophobicContact CD2-CD1 4.28Å; L76-F121 HydrophobicContact CD2-CE1 4.28Å; L76-Q141 HydrophobicContact CD2-CB 3.96Å; L76-Q141 HydrophobicContact CG-CB 4.07Å; L76-E143 HydrophobicContact CD2-CG 4.39Å
77T98.9Very high98.5Very high0 Ų051.3 Ų51.30%028%0.28CS..Hα-helixtrans-61.6-48.4175.5-55.60000110.8A73 F74 T79 N80 M81 W92 M101 F121 E139A73-T77 WeakPolarHBondContact O-CB 3.42Å; A73-T77 PolarHBondContact O-N 3.37Å; A73-T77 PolarHBondContact O-OG1 2.93Å; F74-T77 WeakPolarHBondContact O-CB 3.43Å; F74-T77 PolarHBondContact O-N 3.02Å; F74-T77 VanDerWaalsContact O-N 3.13Å; T77-T79 PolarHBondContact O-N 3.49Å; T77-N80 PolarHBondContact O-N 3.43Å; T77-M81 HydrophobicContact CG2-CB 4.49Å; T77-M81 HydrophobicContact CG2-CG 4.24Å; T77-M81 WeakPolarHBondContact O-CB 3.45Å; T77-M81 WeakPolarHBondContact O-CG 3.5Å; T77-M81 PolarHBondContact O-N 2.92Å; T77-W92 HydrophobicContact CG2-CH2 4.25Å; T77-W92 HydrophobicContact CG2-CZ3 4.44Å; T77-M101 HydrophobicContact CG2-SD 4.47Å; T77-F121 VanDerWaalsContact OG1-CZ 3.31Å; T77-F121 WeakPolarHBondContact OG1-CZ 3.4Å; T77-E139 HydrophobicContact CG2-CG 4.23Å
78K98.8Very high98.4Very high53 Ų5347.7 Ų47.723%0.2326%0.257CS..Hα-helixtrans-57.9-50.3177.4-176.2167.9-179.2170.60111.1F74 D75 N80 M81 Q82 W92 D94F74-K78 HydrophobicContact CE1-CD 4.11Å; F74-K78 HydrophobicContact CZ-CD 4.42Å; F74-K78 WeakPolarHBondContact O-CB 3.26Å; F74-K78 PolarHBondContact O-N 3.24Å; D75-K78 PolarHBondContact O-N 3.32Å; K78-N80 PolarHBondContact O-N 2.84Å; K78-M81 PolarHBondContact O-N 2.9Å; K78-Q82 HydrophobicContact CG-CB 4.2Å; K78-Q82 WeakPolarHBondContact O-CB 3.29Å; K78-Q82 PolarHBondContact O-N 3.02Å; K78-W92 HydrophobicContact CB-CH2 3.89Å; K78-W92 HydrophobicContact CB-CZ2 3.51Å; K78-W92 HydrophobicContact CD-CZ2 3.99Å; K78-W92 HydrophobicContact CG-CH2 4.33Å; K78-W92 HydrophobicContact CG-CZ2 3.56Å; K78-D94 WeakPolarHBondContact CE-OD1 3.34Å; K78-D94 IonicContact NZ-OD1 2.75Å; K78-D94 PolarHBondContact NZ-OD1 2.93Å; K78-D94 IonicContact NZ-OD2 3.9Å; K78-D94 PolarHBondContact NZ-OD2 3.47Å
79T98.8Very high98.2Very high116 Ų11649.2 Ų49.271%0.71225%0.251SS*.Hα-helixtrans-55.4-41178.2-62.70000112D75 L76 T77D75-T79 VanDerWaalsContact O-CB 3.28Å; D75-T79 WeakPolarHBondContact O-CB 3.43Å; D75-T79 PolarHBondContact O-N 2.77Å; D75-T79 PolarHBondContact O-OG1 3.5Å; L76-T79 PolarHBondContact O-N 3.2Å; T77-T79 PolarHBondContact O-N 3.49Å
80N98.8Very high98Very high33 Ų3353.6 Ų53.618%0.17627%0.267CS..Hα-helixtrans-85.1-30.9-175.3-66.3-23.2000113.8L76 T77 K78 Q141 R147L76-N80 WeakPolarHBondContact CD1-ND2 3.11Å; L76-N80 WeakPolarHBondContact O-CB 3.26Å; L76-N80 PolarHBondContact O-N 3.11Å; L76-N80 PolarHBondContact O-ND2 3.13Å; T77-N80 PolarHBondContact O-N 3.43Å; K78-N80 PolarHBondContact O-N 2.84Å; N80-Q141 VanDerWaalsContact CB-OE1 3.26Å; N80-Q141 PolarHBondContact ND2-OE1 2.9Å; N80-R147 PolarHBondContact ND2-NH2 3.22Å; N80-R147 PolarHBondContact OD1-NH2 3.08Å
81M98.6Very high97.9Very high22 Ų2254.1 Ų54.111%0.10828%0.275CS..Hα-helixtrans-119.1-19.6-162.8-56.1-56-61.800114.4T77 K78 T83 M84 Y85 W92 F176T77-M81 HydrophobicContact CG2-CB 4.49Å; T77-M81 HydrophobicContact CG2-CG 4.24Å; T77-M81 WeakPolarHBondContact O-CB 3.45Å; T77-M81 WeakPolarHBondContact O-CG 3.5Å; T77-M81 PolarHBondContact O-N 2.92Å; K78-M81 PolarHBondContact O-N 2.9Å; M81-T83 PolarHBondContact O-N 2.88Å; M81-M84 HydrophobicContact CE-CB 4.44Å; M81-M84 HydrophobicContact CE-SD 3.78Å; M81-M84 WeakPolarHBondContact O-CA 3.31Å; M81-M84 WeakPolarHBondContact O-CB 3.43Å; M81-M84 PolarHBondContact O-N 2.82Å; M81-M84 HydrophobicContact SD-SD 4.08Å; M81-Y85 HydrophobicContact CB-CD2 3.74Å; M81-Y85 HydrophobicContact CB-CE2 3.81Å; M81-Y85 HydrophobicContact CE-CE2 4.47Å; M81-Y85 WeakPolarHBondContact O-CD2 3.43Å; M81-Y85 PolarHBondContact O-N 3.4Å; M81-W92 HydrophobicContact CB-CZ3 4.44Å; M81-F176 HydrophobicContact CE-CD2 4.14Å; M81-F176 HydrophobicContact CE-CE2 4.36Å
82Q98.6Very high97.9Very high61 Ų6152.2 Ų52.229%0.28526%0.263SS..Hα-helixtrans-50.2-52.9-173.1172.7171.52.600112.4K78 M84 Y85 E86 W92K78-Q82 HydrophobicContact CG-CB 4.2Å; K78-Q82 WeakPolarHBondContact O-CB 3.29Å; K78-Q82 PolarHBondContact O-N 3.02Å; Q82-M84 VanDerWaalsContact C-N 3.28Å; Q82-M84 PolarHBondContact O-N 2.86Å; Q82-Y85 PolarHBondContact O-N 2.68Å; Q82-E86 HydrophobicContact CG-CG 4.37Å; Q82-E86 VanDerWaalsContact CG-OE1 3.26Å; Q82-E86 WeakPolarHBondContact CG-OE1 3.26Å; Q82-E86 PolarHBondContact NE2-OE1 2.87Å; Q82-E86 WeakPolarHBondContact O-CG 3.5Å; Q82-E86 PolarHBondContact O-N 3.48Å; Q82-W92 HydrophobicContact CB-CD2 4Å; Q82-W92 HydrophobicContact CB-CE3 4.37Å; Q82-W92 HydrophobicContact CB-CG 4.09Å; Q82-W92 HydrophobicContact CG-CB 4.01Å; Q82-W92 HydrophobicContact CG-CD2 4.13Å; Q82-W92 HydrophobicContact CG-CG 3.68Å
83T98.4Very high97.9Very high86 Ų8655.2 Ų55.253%0.52828%0.277SS..Hα-helixtrans-61.9-35179.3-55.50000112.8M81 E86 Q87M81-T83 PolarHBondContact O-N 2.88Å; T83-E86 PolarHBondContact O-N 2.74Å; T83-Q87 VanDerWaalsContact O-CG 3.25Å; T83-Q87 WeakPolarHBondContact O-CG 3.35Å; T83-Q87 PolarHBondContact O-N 2.88Å; T83-Q87 VanDerWaalsContact O-N 3.15Å
84M98.1Very high97.9Very high46 Ų4658.4 Ų58.423%0.22729%0.294CS..Hα-helixtrans-69.1-39.9178.6-62.9-176.9178.200111.5M81 Q82 Q87 S88 F176 H178 N179M81-M84 HydrophobicContact CE-CB 4.44Å; M81-M84 HydrophobicContact CE-SD 3.78Å; M81-M84 WeakPolarHBondContact O-CA 3.31Å; M81-M84 WeakPolarHBondContact O-CB 3.43Å; M81-M84 PolarHBondContact O-N 2.82Å; M81-M84 HydrophobicContact SD-SD 4.08Å; Q82-M84 VanDerWaalsContact C-N 3.28Å; Q82-M84 PolarHBondContact O-N 2.86Å; M84-Q87 PolarHBondContact O-N 2.92Å; M84-S88 PolarHBondContact O-N 2.98Å; M84-F176 HydrophobicContact CB-CD2 3.89Å; M84-F176 HydrophobicContact CB-CE2 4.24Å; M84-H178 PolarHBondContact O-NE2 3.26Å; M84-N179 HydrophobicContact CE-CB 4.03Å; M84-N179 HydrophobicContact SD-CB 3.68Å; M84-N179 VanDerWaalsContact SD-CG 3.5Å; M84-N179 PolarHBondContact SD-ND2 2.63Å
85Y98.2Very high97.8Very high29 Ų2966.8 Ų66.811%0.11433%0.325CS..Hα-helixtrans-65.5-43.4173.8-88.9-86.9000111.8M81 Q82 Q87 S88 W90 G91 W92 K97 F176M81-Y85 HydrophobicContact CB-CD2 3.74Å; M81-Y85 HydrophobicContact CB-CE2 3.81Å; M81-Y85 HydrophobicContact CE-CE2 4.47Å; M81-Y85 WeakPolarHBondContact O-CD2 3.43Å; M81-Y85 PolarHBondContact O-N 3.4Å; Q82-Y85 PolarHBondContact O-N 2.68Å; Y85-Q87 PolarHBondContact O-N 3.25Å; Y85-S88 WeakPolarHBondContact O-CB 3.06Å; Y85-S88 PolarHBondContact O-N 2.99Å; Y85-S88 PolarHBondContact O-OG 3.02Å; Y85-W90 HydrophobicContact CD1-CB 4.49Å; Y85-W90 HydrophobicContact CD1-CE3 4.25Å; Y85-W90 AromaticContact CE1-CE3 3.73Å; Y85-W90 HydrophobicContact CE1-CE3 3.73Å; Y85-W90 HydrophobicContact CE1-CZ3 4.26Å; Y85-G91 CarbonylContact O-C 3.58Å; Y85-G91 WeakPolarHBondContact O-CA 3.45Å; Y85-G91 PolarHBondContact O-N 2.9Å; Y85-W92 AromaticContact CD2-CE3 3.63Å; Y85-W92 HydrophobicContact CD2-CE3 3.63Å; Y85-W92 AromaticContact CD2-CZ3 3.87Å; Y85-W92 HydrophobicContact CD2-CZ3 3.87Å; Y85-W92 HydrophobicContact CE2-CE3 4.28Å; Y85-W92 HydrophobicContact CE2-CZ3 4.1Å; Y85-W92 AromaticContact CG-CE3 3.84Å; Y85-W92 HydrophobicContact CG-CE3 3.84Å; Y85-W92 HydrophobicContact CG-CZ3 4.47Å; Y85-K97 PolarHBondContact OH-NZ 3.48Å; Y85-F176 HydrophobicContact CD1-CE2 4.17Å; Y85-F176 AromaticContact CD1-CZ 3.82Å; Y85-F176 HydrophobicContact CD1-CZ 3.82Å; Y85-F176 AromaticContact CD2-CE2 3.86Å; Y85-F176 HydrophobicContact CD2-CE2 3.86Å; Y85-F176 HydrophobicContact CD2-CZ 4.35Å; Y85-F176 HydrophobicContact CE1-CE2 4.28Å; Y85-F176 AromaticContact CE1-CZ 3.97Å; Y85-F176 HydrophobicContact CE1-CZ 3.97Å; Y85-F176 AromaticContact CE2-CE2 3.96Å; Y85-F176 HydrophobicContact CE2-CE2 3.96Å; Y85-F176 HydrophobicContact CE2-CZ 4.47Å; Y85-F176 AromaticContact CG-CE2 3.96Å; Y85-F176 HydrophobicContact CG-CE2 3.96Å; Y85-F176 HydrophobicContact CG-CZ 4.02Å
86E98.1Very high97.8Very high104 Ų10467.2 Ų67.249%0.48632%0.324SS..Hα-helixtrans-61.1-27.4176.5-72.6167.9171.900113.2Q82 T83 W92Q82-E86 HydrophobicContact CG-CG 4.37Å; Q82-E86 VanDerWaalsContact CG-OE1 3.26Å; Q82-E86 WeakPolarHBondContact CG-OE1 3.26Å; Q82-E86 PolarHBondContact NE2-OE1 2.87Å; Q82-E86 WeakPolarHBondContact O-CG 3.5Å; Q82-E86 PolarHBondContact O-N 3.48Å; T83-E86 PolarHBondContact O-N 2.74Å; E86-W92 HydrophobicContact CG-CB 3.83Å
87Q96.1Very high97.8Very high128 Ų12867.3 Ų67.360%0.59833%0.325SS*.THydrogen-bonded Turntrans-86.1-6.1174.7-69.7170.9-1.300113.8T83 M84 Y85 H178T83-Q87 VanDerWaalsContact O-CG 3.25Å; T83-Q87 WeakPolarHBondContact O-CG 3.35Å; T83-Q87 PolarHBondContact O-N 2.88Å; T83-Q87 VanDerWaalsContact O-N 3.15Å; M84-Q87 PolarHBondContact O-N 2.92Å; Y85-Q87 PolarHBondContact O-N 3.25Å; Q87-H178 PolarHBondContact OE1-CD2 3.17Å
88S95.6Very high97.8Very high14 Ų1471.3 Ų71.310%0.09834%0.34CS..SBendtrans-97.7172.7178.377.30000111.7M84 Y85 W90 S210M84-S88 PolarHBondContact O-N 2.98Å; Y85-S88 WeakPolarHBondContact O-CB 3.06Å; Y85-S88 PolarHBondContact O-N 2.99Å; Y85-S88 PolarHBondContact O-OG 3.02Å; S88-W90 PolarHBondContact O-N 3.39Å; S88-W90 PolarHBondContact OG-N 3.27Å; S88-S210 VanDerWaalsContact CB-OG 3.3Å; S88-S210 WeakPolarHBondContact CB-OG 3.3Å
89E93.7Very high97.8Very high106 Ų10674 Ų7450%0.49535%0.353SS..THydrogen-bonded Turntrans-66.9-13175.1-52.886.4165.500113.1C209 S210E89-C209 VanDerWaalsContact OE1-CA 3.29Å; E89-C209 WeakPolarHBondContact OE1-CA 3.42Å; E89-S210 PolarHBondContact OE1-N 3.21Å; E89-S210 WeakPolarHBondContact OE2-CB 3.33Å; E89-S210 PolarHBondContact OE2-N 2.88Å; E89-S210 PolarHBondContact OE2-OG 3.37Å
90W95.4Very high97.8Very high105 Ų10571 Ų7140%0.39833%0.331SS..THydrogen-bonded Turntrans-91.4-27.6-174.9-58.5-10.4000113Y85 S88 T174 F176 Y211Y85-W90 HydrophobicContact CD1-CB 4.49Å; Y85-W90 HydrophobicContact CD1-CE3 4.25Å; Y85-W90 AromaticContact CE1-CE3 3.73Å; Y85-W90 HydrophobicContact CE1-CE3 3.73Å; Y85-W90 HydrophobicContact CE1-CZ3 4.26Å; S88-W90 PolarHBondContact O-N 3.39Å; S88-W90 PolarHBondContact OG-N 3.27Å; W90-T174 HydrophobicContact CH2-CG2 3.94Å; W90-F176 HydrophobicContact CE3-CE1 4.33Å; W90-F176 HydrophobicContact CE3-CZ 4.1Å; W90-F176 HydrophobicContact CZ3-CZ 4.42Å; W90-Y211 AromaticContact CE2-CE1 3.86Å; W90-Y211 AromaticContact CZ2-CD1 3.85Å; W90-Y211 HydrophobicContact CZ2-CD1 3.85Å; W90-Y211 HydrophobicContact CZ2-CD2 4.32Å; W90-Y211 AromaticContact CZ2-CE1 3.6Å; W90-Y211 HydrophobicContact CZ2-CE1 3.6Å; W90-Y211 HydrophobicContact CZ2-CE2 4.07Å; W90-Y211 HydrophobicContact CZ2-CG 4.2Å; W90-Y211 AromaticContact CZ2-CZ 3.71Å; W90-Y211 AromaticContact NE1-CE1 3.78Å
91G97.4Very high97.8Very high27 Ų2769.4 Ų69.428%0.27832%0.322SS..  trans64173-167.900000112.8Y85Y85-G91 CarbonylContact O-C 3.58Å; Y85-G91 WeakPolarHBondContact O-CA 3.45Å; Y85-G91 PolarHBondContact O-N 2.9Å
92W98.4Very high97.8Very high30 Ų3071.2 Ų71.211%0.11434%0.335CS..  trans-97.9131.2171.5177.5-97.1000110.9F74 T77 K78 M81 Q82 Y85 E86 D94 K97F74-W92 HydrophobicContact CE2-CZ2 4.29Å; F74-W92 HydrophobicContact CZ-CZ2 4.19Å; T77-W92 HydrophobicContact CG2-CH2 4.25Å; T77-W92 HydrophobicContact CG2-CZ3 4.44Å; K78-W92 HydrophobicContact CB-CH2 3.89Å; K78-W92 HydrophobicContact CB-CZ2 3.51Å; K78-W92 HydrophobicContact CD-CZ2 3.99Å; K78-W92 HydrophobicContact CG-CH2 4.33Å; K78-W92 HydrophobicContact CG-CZ2 3.56Å; M81-W92 HydrophobicContact CB-CZ3 4.44Å; Q82-W92 HydrophobicContact CB-CD2 4Å; Q82-W92 HydrophobicContact CB-CE3 4.37Å; Q82-W92 HydrophobicContact CB-CG 4.09Å; Q82-W92 HydrophobicContact CG-CB 4.01Å; Q82-W92 HydrophobicContact CG-CD2 4.13Å; Q82-W92 HydrophobicContact CG-CG 3.68Å; Y85-W92 AromaticContact CD2-CE3 3.63Å; Y85-W92 HydrophobicContact CD2-CE3 3.63Å; Y85-W92 AromaticContact CD2-CZ3 3.87Å; Y85-W92 HydrophobicContact CD2-CZ3 3.87Å; Y85-W92 HydrophobicContact CE2-CE3 4.28Å; Y85-W92 HydrophobicContact CE2-CZ3 4.1Å; Y85-W92 AromaticContact CG-CE3 3.84Å; Y85-W92 HydrophobicContact CG-CE3 3.84Å; Y85-W92 HydrophobicContact CG-CZ3 4.47Å; E86-W92 HydrophobicContact CG-CB 3.83Å; W92-D94 PolarHBondContact NE1-OD1 2.86Å; W92-K97 HydrophobicContact CH2-CB 4.19Å; W92-K97 HydrophobicContact CH2-CG 3.7Å; W92-K97 HydrophobicContact CZ2-CB 4.45Å; W92-K97 HydrophobicContact CZ2-CG 4.41Å; W92-K97 HydrophobicContact CZ3-CG 3.96Å
93K98.2Very high97.8Very high102 Ų10270.3 Ų70.344%0.44333%0.332SS..  trans-135.997.2-177.3-59179.8-171.9174.90110.7R95 E96 K97K93-R95 VanDerWaalsContact C-N 3.28Å; K93-R95 PolarHBondContact O-N 3.41Å; K93-R95 VanDerWaalsContact O-N 3.17Å; K93-E96 HydrophobicContact CB-CB 4.09Å; K93-E96 HydrophobicContact CB-CG 4.33Å; K93-E96 HydrophobicContact CD-CB 4.46Å; K93-E96 HydrophobicContact CD-CG 4.11Å; K93-E96 WeakPolarHBondContact CD-OE1 3.31Å; K93-E96 WeakPolarHBondContact CD-OE2 3.41Å; K93-E96 IonicContact NZ-OE1 3.9Å; K93-E96 PolarHBondContact NZ-OE1 3.32Å; K93-E96 IonicContact NZ-OE2 3.78Å; K93-E96 PolarHBondContact NZ-OE2 2.73Å; K93-E96 PolarHBondContact O-N 3.39Å; K93-K97 WeakPolarHBondContact O-CB 3.42Å; K93-K97 PolarHBondContact O-N 2.66Å
94D98.4Very high97.7Very high68 Ų6872.4 Ų72.436%0.36434%0.34SS..Hα-helixtrans-45.2-50.5-178.1-89.933.2000113F74 K78 W92 R98F74-D94 WeakPolarHBondContact CE2-O 3.46Å; F74-D94 HydrophobicContact CZ-CB 4.2Å; K78-D94 WeakPolarHBondContact CE-OD1 3.34Å; K78-D94 IonicContact NZ-OD1 2.75Å; K78-D94 PolarHBondContact NZ-OD1 2.93Å; K78-D94 IonicContact NZ-OD2 3.9Å; K78-D94 PolarHBondContact NZ-OD2 3.47Å; W92-D94 PolarHBondContact NE1-OD1 2.86Å; D94-R98 VanDerWaalsContact O-CB 3.28Å; D94-R98 WeakPolarHBondContact O-CB 3.11Å; D94-R98 PolarHBondContact O-N 3.19Å
95R98.4Very high97.7Very high180 Ų18076.1 Ų76.168%0.67935%0.351SS*.Hα-helixtrans-66.4-51.4-175.6-171.9-177.668.9-166.3-1.8112.2K93 K97 R98 E99K93-R95 VanDerWaalsContact C-N 3.28Å; K93-R95 PolarHBondContact O-N 3.41Å; K93-R95 VanDerWaalsContact O-N 3.17Å; R95-K97 VanDerWaalsContact C-N 3.29Å; R95-K97 PolarHBondContact O-N 3.28Å; R95-R98 PolarHBondContact O-N 2.66Å; R95-E99 HydrophobicContact CG-CG 4.47Å; R95-E99 WeakPolarHBondContact CG-OE1 3.27Å; R95-E99 IonicContact NE-OE1 3.04Å; R95-E99 WeakPolarHBondContact O-CB 3.35Å; R95-E99 WeakPolarHBondContact O-CG 3.47Å; R95-E99 PolarHBondContact O-N 2.92Å
96E98.5Very high97.8Very high93 Ų9374.8 Ų74.844%0.43535%0.346SS..Hα-helixtrans-62.4-40-179.1-67.8-179.4-154.200110.7K93 E99 E100K93-E96 HydrophobicContact CB-CB 4.09Å; K93-E96 HydrophobicContact CB-CG 4.33Å; K93-E96 HydrophobicContact CD-CB 4.46Å; K93-E96 HydrophobicContact CD-CG 4.11Å; K93-E96 WeakPolarHBondContact CD-OE1 3.31Å; K93-E96 WeakPolarHBondContact CD-OE2 3.41Å; K93-E96 IonicContact NZ-OE1 3.9Å; K93-E96 PolarHBondContact NZ-OE1 3.32Å; K93-E96 IonicContact NZ-OE2 3.78Å; K93-E96 PolarHBondContact NZ-OE2 2.73Å; K93-E96 PolarHBondContact O-N 3.39Å; E96-E99 PolarHBondContact O-N 3.35Å; E96-E100 WeakPolarHBondContact O-CB 3.28Å; E96-E100 PolarHBondContact O-N 2.68Å
97K98.6Very high97.8Very high11 Ų1169.9 Ų69.95%0.04832%0.323CS..Hα-helixtrans-68.6-37.6178.5-164.760.6172.7171.60112.4F74 Y85 W92 K93 R95 E100 M101 E139F74-K97 HydrophobicContact CE2-CB 4.22Å; Y85-K97 PolarHBondContact OH-NZ 3.48Å; W92-K97 HydrophobicContact CH2-CB 4.19Å; W92-K97 HydrophobicContact CH2-CG 3.7Å; W92-K97 HydrophobicContact CZ2-CB 4.45Å; W92-K97 HydrophobicContact CZ2-CG 4.41Å; W92-K97 HydrophobicContact CZ3-CG 3.96Å; K93-K97 WeakPolarHBondContact O-CB 3.42Å; K93-K97 PolarHBondContact O-N 2.66Å; R95-K97 VanDerWaalsContact C-N 3.29Å; R95-K97 PolarHBondContact O-N 3.28Å; K97-E100 IonicContact NZ-OE1 3.99Å; K97-E100 PolarHBondContact NZ-OE1 3.09Å; K97-E100 IonicContact NZ-OE2 3.73Å; K97-E100 PolarHBondContact NZ-OE2 2.62Å; K97-E100 PolarHBondContact O-N 3.5Å; K97-M101 HydrophobicContact CG-SD 4.42Å; K97-M101 WeakPolarHBondContact O-CB 3.41Å; K97-M101 VanDerWaalsContact O-CG 3.27Å; K97-M101 WeakPolarHBondContact O-CG 3.43Å; K97-M101 PolarHBondContact O-N 2.83Å; K97-M101 VanDerWaalsContact O-N 3.08Å; K97-E139 WeakPolarHBondContact CE-OE1 3.32Å; K97-E139 IonicContact NZ-OE1 2.72Å; K97-E139 PolarHBondContact NZ-OE1 3.47Å
98R98.4Very high97.9Very high84 Ų8463.8 Ų63.832%0.31730%0.295SS..Hα-helixtrans-64.4-47.3173.5-175.4171.6-70.1-91.23.3111.3D71 F74 D94 R95 E100 M101 T102D71-R98 IonicContact OD1-CZ 2.8Å; D71-R98 IonicContact OD1-NH1 2.71Å; D71-R98 PolarHBondContact OD1-NH1 3.08Å; D71-R98 IonicContact OD1-NH2 3.07Å; F74-R98 HydrophobicContact CD2-CB 3.97Å; F74-R98 VanDerWaalsContact CE1-NH2 3.31Å; F74-R98 HydrophobicContact CE2-CB 3.79Å; D94-R98 VanDerWaalsContact O-CB 3.28Å; D94-R98 WeakPolarHBondContact O-CB 3.11Å; D94-R98 PolarHBondContact O-N 3.19Å; R95-R98 PolarHBondContact O-N 2.66Å; R98-E100 VanDerWaalsContact C-N 3.32Å; R98-E100 PolarHBondContact O-N 2.86Å; R98-M101 CarbonylContact O-C 3.55Å; R98-M101 PolarHBondContact O-N 3.06Å; R98-M101 VanDerWaalsContact O-N 3.12Å; R98-T102 HydrophobicContact CG-CG2 4.37Å; R98-T102 WeakPolarHBondContact O-CG2 3.19Å; R98-T102 PolarHBondContact O-N 3.34Å; R98-T102 PolarHBondContact O-OG1 3.04Å
99E98.6Very high98.1Very high109 Ų10963.1 Ų63.151%0.50929%0.29SS..Hα-helixtrans-57-43.7176.4-74168.1-176.600111.7R95 E96 M101 T102 D103R95-E99 HydrophobicContact CG-CG 4.47Å; R95-E99 WeakPolarHBondContact CG-OE1 3.27Å; R95-E99 IonicContact NE-OE1 3.04Å; R95-E99 WeakPolarHBondContact O-CB 3.35Å; R95-E99 WeakPolarHBondContact O-CG 3.47Å; R95-E99 PolarHBondContact O-N 2.92Å; E96-E99 PolarHBondContact O-N 3.35Å; E99-M101 PolarHBondContact O-N 3.1Å; E99-T102 PolarHBondContact O-N 3.13Å; E99-T102 PolarHBondContact O-OG1 3.33Å; E99-D103 PolarHBondContact O-N 3.32Å; E99-D103 VanDerWaalsContact O-N 3.12Å
100E98.6Very high98.3Very high52 Ų5258.2 Ų58.224%0.24327%0.267CS..Hα-helixtrans-58.7-45.7174.4-174.7-156102.700112E96 K97 R98 T102 H123 R125 Y138E96-E100 WeakPolarHBondContact O-CB 3.28Å; E96-E100 PolarHBondContact O-N 2.68Å; K97-E100 IonicContact NZ-OE1 3.99Å; K97-E100 PolarHBondContact NZ-OE1 3.09Å; K97-E100 IonicContact NZ-OE2 3.73Å; K97-E100 PolarHBondContact NZ-OE2 2.62Å; K97-E100 PolarHBondContact O-N 3.5Å; R98-E100 VanDerWaalsContact C-N 3.32Å; R98-E100 PolarHBondContact O-N 2.86Å; E100-T102 VanDerWaalsContact C-N 3.3Å; E100-T102 PolarHBondContact O-N 3.3Å; E100-H123 PolarHBondContact O-CE1 2.8Å; E100-H123 IonicContact OE1-CE1 3.73Å; E100-H123 IonicContact OE1-ND1 3.47Å; E100-R125 PolarHBondContact O-NH2 2.83Å; E100-Y138 HydrophobicContact CG-CD1 4.03Å; E100-Y138 HydrophobicContact CG-CE1 4.19Å; E100-Y138 WeakPolarHBondContact OE1-CD1 3.43Å
101M98.7Very high98.5Very high1 Ų153.2 Ų53.21%0.00525%0.248CC..Hα-helixtrans-74-19.1-178.1-72.2-174.674.700113.5A73 F74 T77 K97 R98 E99 Y108 F121A73-M101 HydrophobicContact CB-CE 3.89Å; F74-M101 HydrophobicContact CB-SD 4.32Å; F74-M101 HydrophobicContact CD2-SD 4.15Å; T77-M101 HydrophobicContact CG2-SD 4.47Å; K97-M101 HydrophobicContact CG-SD 4.42Å; K97-M101 WeakPolarHBondContact O-CB 3.41Å; K97-M101 VanDerWaalsContact O-CG 3.27Å; K97-M101 WeakPolarHBondContact O-CG 3.43Å; K97-M101 PolarHBondContact O-N 2.83Å; K97-M101 VanDerWaalsContact O-N 3.08Å; R98-M101 CarbonylContact O-C 3.55Å; R98-M101 PolarHBondContact O-N 3.06Å; R98-M101 VanDerWaalsContact O-N 3.12Å; E99-M101 PolarHBondContact O-N 3.1Å; M101-Y108 WeakPolarHBondContact CB-OH 3.47Å; M101-Y108 HydrophobicContact CE-CE1 4.39Å; M101-Y108 PolarHBondContact O-OH 2.95Å; M101-F121 HydrophobicContact CE-CE2 3.96Å; M101-F121 HydrophobicContact CE-CZ 3.7Å
102T98.6Very high98.6Very high60 Ų6053.6 Ų53.637%0.36824%0.241SC..THydrogen-bonded Turntrans-106.75.7179.659.60000114.7V70 R98 E99 E100V70-T102 HydrophobicContact CG1-CG2 3.74Å; R98-T102 HydrophobicContact CG-CG2 4.37Å; R98-T102 WeakPolarHBondContact O-CG2 3.19Å; R98-T102 PolarHBondContact O-N 3.34Å; R98-T102 PolarHBondContact O-OG1 3.04Å; E99-T102 PolarHBondContact O-N 3.13Å; E99-T102 PolarHBondContact O-OG1 3.33Å; E100-T102 VanDerWaalsContact C-N 3.3Å; E100-T102 PolarHBondContact O-N 3.3Å
103D98.6Very high98.5Very high42 Ų4254.1 Ų54.123%0.22525%0.245CC..  trans-60.5139175.2-172.6-59.1000110.9V62 E99 R105 A106 R125V62-D103 VanDerWaalsContact CG1-O 3.28Å; V62-D103 WeakPolarHBondContact CG1-O 3.43Å; E99-D103 PolarHBondContact O-N 3.32Å; E99-D103 VanDerWaalsContact O-N 3.12Å; D103-R105 PolarHBondContact O-N 3.22Å; D103-R105 VanDerWaalsContact OD1-CB 3.29Å; D103-R105 WeakPolarHBondContact OD1-CB 3.29Å; D103-R105 WeakPolarHBondContact OD1-CG 3.24Å; D103-R105 IonicContact OD1-CZ 3.92Å; D103-R105 PolarHBondContact OD1-N 3.04Å; D103-R105 IonicContact OD1-NE 3.77Å; D103-R105 PolarHBondContact OD1-NE 3.23Å; D103-R105 IonicContact OD1-NH2 3.52Å; D103-R105 IonicContact OD2-CZ 3.49Å; D103-R105 IonicContact OD2-NE 3.53Å; D103-R105 PolarHBondContact OD2-NE 3.2Å; D103-R105 IonicContact OD2-NH2 2.87Å; D103-R105 PolarHBondContact OD2-NH2 3.18Å; D103-A106 WeakPolarHBondContact O-CB 3.36Å; D103-A106 PolarHBondContact O-N 3.27Å; D103-R125 IonicContact OD1-CZ 3.86Å; D103-R125 IonicContact OD1-NH1 2.62Å; D103-R125 IonicContact OD2-CZ 3.74Å; D103-R125 IonicContact OD2-NH1 2.73Å; D103-R125 PolarHBondContact OD2-NH1 3.47Å; D103-R125 IonicContact OD2-NH2 2.76Å; D103-R125 PolarHBondContact OD2-NH2 3.13Å
104D98.1Very high98.3Very high130 Ų13055.2 Ų55.270%0.69526%0.256SS*.THydrogen-bonded Turntrans-59.2-19-177.2-66.1-27.8000114.2A106D104-A106 VanDerWaalsContact C-N 3.33Å
105R98Very high97.9Very high124 Ų12456.9 Ų56.947%0.46827%0.272SS..THydrogen-bonded Turntrans-83.5-8.2176.2-60.5171.6-69.9169.9-6.1113.2D103 W107 R125 D127D103-R105 PolarHBondContact O-N 3.22Å; D103-R105 VanDerWaalsContact OD1-CB 3.29Å; D103-R105 WeakPolarHBondContact OD1-CB 3.29Å; D103-R105 WeakPolarHBondContact OD1-CG 3.24Å; D103-R105 IonicContact OD1-CZ 3.92Å; D103-R105 PolarHBondContact OD1-N 3.04Å; D103-R105 IonicContact OD1-NE 3.77Å; D103-R105 PolarHBondContact OD1-NE 3.23Å; D103-R105 IonicContact OD1-NH2 3.52Å; D103-R105 IonicContact OD2-CZ 3.49Å; D103-R105 IonicContact OD2-NE 3.53Å; D103-R105 PolarHBondContact OD2-NE 3.2Å; D103-R105 IonicContact OD2-NH2 2.87Å; D103-R105 PolarHBondContact OD2-NH2 3.18Å; R105-W107 PolarHBondContact O-N 2.93Å; R105-R125 VanDerWaalsContact NH2-NH1 3.11Å; R105-D127 IonicContact NH1-OD2 2.89Å
106A98.7Very high97.6Very high0 Ų052.1 Ų52.10%027%0.267CS..  trans-69.9123.7-175.900000111.7R61 V62 D103 D104 Y108 H123R61-A106 WeakPolarHBondContact CA-O 3.45Å; V62-A106 HydrophobicContact CB-CB 4.1Å; V62-A106 HydrophobicContact CG1-CB 4.1Å; V62-A106 PolarHBondContact N-O 3.24Å; D103-A106 WeakPolarHBondContact O-CB 3.36Å; D103-A106 PolarHBondContact O-N 3.27Å; D104-A106 VanDerWaalsContact C-N 3.33Å; A106-Y108 HydrophobicContact CB-CD2 4.47Å; A106-Y108 HydrophobicContact CB-CE2 3.93Å; A106-H123 WeakPolarHBondContact CB-NE2 3.46Å
107W98.9Very high97.6Very high1 Ų150.6 Ų50.60%0.00426%0.264CS..EExtended strand (participates in β ladder)trans-101.4144166.3-71.589.8000110.2N33 L35 P38 R61 R105 H123 F124N33-W107 PolarHBondContact OD1-NE1 2.8Å; N33-W107 VanDerWaalsContact OD1-NE1 3.13Å; L35-W107 VanDerWaalsContact O-CH2 3.31Å; L35-W107 WeakPolarHBondContact O-CH2 3.42Å; P38-W107 HydrophobicContact CG-CD2 4.31Å; P38-W107 HydrophobicContact CG-CE3 4Å; P38-W107 HydrophobicContact CG-CH2 3.83Å; P38-W107 HydrophobicContact CG-CZ2 4.12Å; P38-W107 HydrophobicContact CG-CZ3 3.76Å; R61-W107 HydrophobicContact CG-CD2 3.84Å; R61-W107 HydrophobicContact CG-CE3 3.79Å; R61-W107 HydrophobicContact CG-CH2 3.6Å; R61-W107 HydrophobicContact CG-CZ2 3.66Å; R61-W107 HydrophobicContact CG-CZ3 3.66Å; R105-W107 PolarHBondContact O-N 2.93Å; W107-H123 CarbonylContact O-C 3.48Å; W107-H123 WeakPolarHBondContact O-CA 3.47Å; W107-F124 HydrophobicContact CB-CD1 4.02Å; W107-F124 HydrophobicContact CB-CD2 3.96Å; W107-F124 HydrophobicContact CB-CE1 3.63Å; W107-F124 HydrophobicContact CB-CE2 3.58Å; W107-F124 HydrophobicContact CB-CG 4.18Å; W107-F124 HydrophobicContact CB-CZ 3.4Å; W107-F124 VanDerWaalsContact CB-CZ 3.4Å; W107-F124 WeakPolarHBondContact CB-O 3.44Å; W107-F124 HydrophobicContact CG-CE2 4.03Å; W107-F124 HydrophobicContact CG-CZ 4.09Å; W107-F124 PolarHBondContact N-O 3.47Å; W107-F124 PolarHBondContact O-N 3.34Å
108Y98.9Very high97.6Very high1 Ų151.1 Ų51.10%0.00427%0.268CS..EExtended strand (participates in β ladder)trans-123.6129.5178.2-79.5-98000109.9C59 K60 V62 L65 A73 M101 A106 F121 S122 H123C59-Y108 CarbonylContact C-O 3.6Å; C59-Y108 VanDerWaalsContact CA-O 3.25Å; C59-Y108 WeakPolarHBondContact CA-O 3.39Å; K60-Y108 PolarHBondContact N-O 3.49Å; K60-Y108 PolarHBondContact O-N 2.9Å; V62-Y108 HydrophobicContact CB-CD2 4.11Å; V62-Y108 HydrophobicContact CB-CE2 3.85Å; V62-Y108 HydrophobicContact CG2-CD2 4.47Å; V62-Y108 HydrophobicContact CG2-CE2 3.88Å; L65-Y108 HydrophobicContact CD1-CD1 4.1Å; L65-Y108 HydrophobicContact CD1-CD2 3.72Å; L65-Y108 HydrophobicContact CD1-CE2 4.28Å; L65-Y108 HydrophobicContact CD1-CG 3.62Å; A73-Y108 HydrophobicContact CB-CE1 4.06Å; M101-Y108 WeakPolarHBondContact CB-OH 3.47Å; M101-Y108 HydrophobicContact CE-CE1 4.39Å; M101-Y108 PolarHBondContact O-OH 2.95Å; A106-Y108 HydrophobicContact CB-CD2 4.47Å; A106-Y108 HydrophobicContact CB-CE2 3.93Å; Y108-F121 AromaticContact CD1-CD2 3.68Å; Y108-F121 HydrophobicContact CD1-CD2 3.68Å; Y108-F121 HydrophobicContact CD1-CE2 4.26Å; Y108-F121 HydrophobicContact CD1-CG 4.41Å; Y108-F121 AromaticContact CE1-CD2 3.7Å; Y108-F121 HydrophobicContact CE1-CD2 3.7Å; Y108-F121 AromaticContact CE1-CE2 3.81Å; Y108-F121 HydrophobicContact CE1-CE2 3.81Å; Y108-S122 CarbonylContact C-O 3.38Å; Y108-S122 WeakPolarHBondContact CA-O 3.49Å; Y108-H123 HydrophobicContact CD1-CB 4.34Å; Y108-H123 HydrophobicContact CE1-CB 3.9Å
109L98.8Very high97.6Very high0 Ų047.1 Ų47.10%025%0.253CS..EExtended strand (participates in β ladder)trans-103.4112.5164.3-171.871.6000107.5L39 I57 E58 C59 F121 S122 F124 L155 I158 L159L39-L109 HydrophobicContact CD2-CD1 3.78Å; I57-L109 HydrophobicContact CG2-CD1 3.52Å; I57-L109 HydrophobicContact CG2-CD2 4.44Å; I57-L109 HydrophobicContact CG2-CG 3.8Å; E58-L109 CarbonylContact O-C 3.48Å; E58-L109 WeakPolarHBondContact O-CA 3.37Å; C59-L109 HydrophobicContact CB-CD1 3.96Å; L109-F121 CarbonylContact O-C 3.56Å; L109-F121 WeakPolarHBondContact O-CA 3.5Å; L109-S122 PolarHBondContact N-O 2.83Å; L109-S122 PolarHBondContact O-N 3.02Å; L109-F124 HydrophobicContact CB-CE1 4.21Å; L109-L155 HydrophobicContact CD2-CB 4.22Å; L109-L155 HydrophobicContact CD2-CD2 3.7Å; L109-L155 HydrophobicContact CG-CD2 4.08Å; L109-I158 HydrophobicContact CD1-CG2 3.93Å; L109-I158 HydrophobicContact CD2-CB 3.8Å; L109-I158 HydrophobicContact CD2-CD1 4.18Å; L109-I158 HydrophobicContact CD2-CG2 3.59Å; L109-I158 HydrophobicContact CG-CG2 4.45Å; L109-L159 HydrophobicContact CD2-CD2 4.23Å
110I98.9Very high97.7Very high2 Ų241.9 Ų41.91%0.0123%0.229CC..EExtended strand (participates in β ladder)trans-117.6132.9-172.7-52.6-177.9000110I57 E58 L65 T69 W72 W112 P118 F121I57-I110 VanDerWaalsContact CA-O 3.3Å; I57-I110 WeakPolarHBondContact CA-O 3.33Å; E58-I110 HydrophobicContact CG-CB 4.42Å; E58-I110 PolarHBondContact N-O 2.8Å; E58-I110 PolarHBondContact O-N 3.42Å; L65-I110 HydrophobicContact CD1-CD1 3.92Å; L65-I110 HydrophobicContact CD2-CD1 3.56Å; L65-I110 HydrophobicContact CG-CD1 4.4Å; T69-I110 HydrophobicContact CG2-CD1 3.61Å; W72-I110 HydrophobicContact CZ3-CG2 4.32Å; I110-W112 HydrophobicContact CD1-CZ2 4.4Å; I110-W112 HydrophobicContact CG2-CD2 4.2Å; I110-W112 HydrophobicContact CG2-CG 4.4Å; I110-W112 HydrophobicContact CG2-CZ2 3.98Å; I110-P118 HydrophobicContact CG2-CB 4.05Å; I110-F121 HydrophobicContact CG1-CB 4.15Å
111A98.9Very high97.7Very high0 Ų039.4 Ų39.40%022%0.217CC..EExtended strand (participates in β ladder)trans-98.5124.6171.400000110.6V55 S56 I57 V119 A120 L151V55-A111 HydrophobicContact CB-CB 4.41Å; V55-A111 HydrophobicContact CG2-CB 4.15Å; S56-A111 CarbonylContact O-C 3.48Å; S56-A111 VanDerWaalsContact O-CA 3.31Å; S56-A111 WeakPolarHBondContact O-CA 3.49Å; I57-A111 HydrophobicContact CG1-CB 4.3Å; A111-V119 HydrophobicContact CB-CG2 4.36Å; A111-V119 WeakPolarHBondContact O-CG2 3.41Å; A111-V119 PolarHBondContact O-N 3.46Å; A111-A120 HydrophobicContact CB-CB 4.03Å; A111-A120 PolarHBondContact N-O 2.92Å; A111-L151 HydrophobicContact CB-CD1 4.31Å; A111-L151 HydrophobicContact CB-CD2 4.16Å
112W98.8Very high97.7Very high35 Ų3539.4 Ų39.413%0.13322%0.217CC..EExtended strand (participates in β ladder)trans-112122-176.9-62.591.1000111V55 S56 E58 T69 I110 S116 V117 P118V55-W112 CarbonylContact C-O 3.59Å; V55-W112 WeakPolarHBondContact CA-O 3.28Å; V55-W112 WeakPolarHBondContact CB-O 3.33Å; S56-W112 PolarHBondContact N-O 2.98Å; S56-W112 PolarHBondContact O-N 2.91Å; E58-W112 VanDerWaalsContact CD-NE1 3.29Å; E58-W112 PolarHBondContact OE1-NE1 2.88Å; T69-W112 HydrophobicContact CG2-CH2 3.95Å; T69-W112 HydrophobicContact CG2-CZ2 4.02Å; I110-W112 HydrophobicContact CD1-CZ2 4.4Å; I110-W112 HydrophobicContact CG2-CD2 4.2Å; I110-W112 HydrophobicContact CG2-CG 4.4Å; I110-W112 HydrophobicContact CG2-CZ2 3.98Å; W112-S116 WeakPolarHBondContact CZ3-O 3.49Å; W112-V117 CarbonylContact C-O 3.59Å; W112-V117 WeakPolarHBondContact CA-O 3.43Å; W112-P118 HydrophobicContact CD2-CB 4.36Å; W112-P118 HydrophobicContact CE3-CB 3.95Å; W112-P118 HydrophobicContact CE3-CG 4.4Å; W112-P118 HydrophobicContact CH2-CB 4.18Å; W112-P118 HydrophobicContact CH2-CG 4.36Å; W112-P118 HydrophobicContact CZ3-CB 3.87Å; W112-P118 HydrophobicContact CZ3-CG 3.95Å
113E97.5Very high97.7Very high42 Ų4236.5 Ų36.520%0.19620%0.199CC..EExtended strand (participates in β ladder)trans-85133.9169.5-175.1172.8-115.500109.4V55 S115 S116 V117 V119 K145V55-E113 HydrophobicContact CG1-CB 4.22Å; E113-S115 PolarHBondContact O-N 2.76Å; E113-S116 PolarHBondContact O-N 2.85Å; E113-V117 HydrophobicContact CB-CB 4.45Å; E113-V117 PolarHBondContact N-O 3.2Å; E113-V117 PolarHBondContact O-N 3.11Å; E113-V119 HydrophobicContact CB-CG1 3.71Å; E113-V119 HydrophobicContact CB-CG2 4.24Å; E113-K145 WeakPolarHBondContact OE2-CE 3.38Å; E113-K145 IonicContact OE2-NZ 2.65Å; E113-K145 PolarHBondContact OE2-NZ 3.08Å
114N93.1Very high97.7Very high125 Ų12534.5 Ų34.567%0.66819%0.189SC*.THydrogen-bonded Turntrans52.825.2-178.4-55.6-39.6000114.5S116N114-S116 PolarHBondContact O-N 2.73Å
115S89.5Confident97.8Very high102 Ų10228.7 Ų28.771%0.71316%0.157SC*.THydrogen-bonded Turntrans63.211.4-178-42.90000116E113E113-S115 PolarHBondContact O-N 2.76Å
116S93.9Very high97.8Very high81 Ų8123 Ų2357%0.56614%0.135SC*.THydrogen-bonded Turntrans-141.2-23.3-174.559.70000114.8W112 E113 N114W112-S116 WeakPolarHBondContact CZ3-O 3.49Å; E113-S116 PolarHBondContact O-N 2.85Å; N114-S116 PolarHBondContact O-N 2.73Å
117V98Very high97.8Very high61 Ų6125.1 Ų25.137%0.3715%0.147SC..EExtended strand (participates in β ladder)trans-107.7112.1-176.9-177.30000109.1W112 E113 V119W112-V117 CarbonylContact C-O 3.59Å; W112-V117 WeakPolarHBondContact CA-O 3.43Å; E113-V117 HydrophobicContact CB-CB 4.45Å; E113-V117 PolarHBondContact N-O 3.2Å; E113-V117 PolarHBondContact O-N 3.11Å; V117-V119 HydrophobicContact CG1-CG1 4.15Å; V117-V119 PolarHBondContact O-N 3.06Å
118P98.7Very high97.7Very high21 Ų2127.1 Ų27.114%0.13616%0.159CC..EExtended strand (participates in β ladder)trans-71.2132.9174.832.2-32.9000108.9W72 I110 W112W72-P118 HydrophobicContact CD2-CB 3.84Å; W72-P118 HydrophobicContact CD2-CG 3.58Å; W72-P118 HydrophobicContact CE3-CB 3.72Å; W72-P118 HydrophobicContact CE3-CG 3.86Å; W72-P118 HydrophobicContact CG-CG 3.93Å; W72-P118 HydrophobicContact CH2-CB 3.7Å; W72-P118 HydrophobicContact CH2-CG 4.5Å; W72-P118 HydrophobicContact CZ2-CB 3.82Å; W72-P118 HydrophobicContact CZ2-CG 4.27Å; W72-P118 WeakPolarHBondContact CZ2-O 3.4Å; W72-P118 HydrophobicContact CZ3-CB 3.66Å; W72-P118 HydrophobicContact CZ3-CG 4.31Å; I110-P118 HydrophobicContact CG2-CB 4.05Å; W112-P118 HydrophobicContact CD2-CB 4.36Å; W112-P118 HydrophobicContact CE3-CB 3.95Å; W112-P118 HydrophobicContact CE3-CG 4.4Å; W112-P118 HydrophobicContact CH2-CB 4.18Å; W112-P118 HydrophobicContact CH2-CG 4.36Å; W112-P118 HydrophobicContact CZ3-CB 3.87Å; W112-P118 HydrophobicContact CZ3-CG 3.95Å
119V98.9Very high97.5Very high0 Ų030.3 Ų30.30%017%0.174CC..EExtended strand (participates in β ladder)trans-127.4-13.6-175.5-65.20000113.9V55 A111 E113 V117 E143 V146V55-V119 HydrophobicContact CG1-CG2 3.95Å; A111-V119 HydrophobicContact CB-CG2 4.36Å; A111-V119 WeakPolarHBondContact O-CG2 3.41Å; A111-V119 PolarHBondContact O-N 3.46Å; E113-V119 HydrophobicContact CB-CG1 3.71Å; E113-V119 HydrophobicContact CB-CG2 4.24Å; V117-V119 HydrophobicContact CG1-CG1 4.15Å; V117-V119 PolarHBondContact O-N 3.06Å; V119-E143 HydrophobicContact CB-CG 4.4Å; V119-E143 WeakPolarHBondContact O-CB 3.1Å; V119-E143 WeakPolarHBondContact O-CG 3.31Å; V119-E143 PolarHBondContact O-N 2.87Å; V119-V146 HydrophobicContact CB-CG1 3.91Å; V119-V146 HydrophobicContact CB-CG2 4.19Å; V119-V146 HydrophobicContact CG1-CG1 4.35Å; V119-V146 HydrophobicContact CG2-CG1 4.08Å; V119-V146 HydrophobicContact CG2-CG2 4.43Å; V119-V146 WeakPolarHBondContact O-CG2 3.19Å
120A98.9Very high97.2Very high0 Ų034.7 Ų34.70%020%0.204CC..EExtended strand (participates in β ladder)trans-158.8151.8173.500000110.1A111 Q141 L142 L151 L155A111-A120 HydrophobicContact CB-CB 4.03Å; A111-A120 PolarHBondContact N-O 2.92Å; A120-Q141 CarbonylContact C-O 3.53Å; A120-Q141 WeakPolarHBondContact CA-O 3.4Å; A120-L142 HydrophobicContact CB-CB 4.37Å; A120-L142 HydrophobicContact CB-CD1 4.11Å; A120-L142 HydrophobicContact CB-CG 3.66Å; A120-L151 HydrophobicContact CB-CD2 3.79Å; A120-L151 HydrophobicContact CB-CG 4.43Å; A120-L155 HydrophobicContact CB-CD1 3.87Å
121F98.9Very high96.9Very high0 Ų035.9 Ų35.90%022%0.217CC..EExtended strand (participates in β ladder)trans-145.7164.2169.878.9-84.2000112.1W72 A73 L76 T77 M101 Y108 L109 I110 H123 E139 V140 Q141W72-F121 HydrophobicContact CH2-CB 4.02Å; W72-F121 AromaticContact CH2-CD1 3.7Å; W72-F121 HydrophobicContact CH2-CD1 3.7Å; W72-F121 HydrophobicContact CH2-CG 4.31Å; W72-F121 HydrophobicContact CZ3-CB 3.93Å; W72-F121 AromaticContact CZ3-CD1 3.67Å; W72-F121 HydrophobicContact CZ3-CD1 3.67Å; W72-F121 HydrophobicContact CZ3-CG 4.11Å; A73-F121 HydrophobicContact CB-CD1 3.88Å; A73-F121 HydrophobicContact CB-CD2 4.35Å; A73-F121 HydrophobicContact CB-CE1 3.63Å; A73-F121 HydrophobicContact CB-CE2 4.17Å; A73-F121 HydrophobicContact CB-CG 4.24Å; A73-F121 HydrophobicContact CB-CZ 3.81Å; A73-F121 WeakPolarHBondContact O-CE1 3.42Å; L76-F121 HydrophobicContact CD2-CD1 4.28Å; L76-F121 HydrophobicContact CD2-CE1 4.28Å; T77-F121 VanDerWaalsContact OG1-CZ 3.31Å; T77-F121 WeakPolarHBondContact OG1-CZ 3.4Å; M101-F121 HydrophobicContact CE-CE2 3.96Å; M101-F121 HydrophobicContact CE-CZ 3.7Å; Y108-F121 AromaticContact CD1-CD2 3.68Å; Y108-F121 HydrophobicContact CD1-CD2 3.68Å; Y108-F121 HydrophobicContact CD1-CE2 4.26Å; Y108-F121 HydrophobicContact CD1-CG 4.41Å; Y108-F121 AromaticContact CE1-CD2 3.7Å; Y108-F121 HydrophobicContact CE1-CD2 3.7Å; Y108-F121 AromaticContact CE1-CE2 3.81Å; Y108-F121 HydrophobicContact CE1-CE2 3.81Å; L109-F121 CarbonylContact O-C 3.56Å; L109-F121 WeakPolarHBondContact O-CA 3.5Å; I110-F121 HydrophobicContact CG1-CB 4.15Å; F121-H123 HydrophobicContact CD2-CB 4.33Å; F121-H123 HydrophobicContact CE2-CB 3.92Å; F121-E139 HydrophobicContact CE2-CB 3.92Å; F121-E139 HydrophobicContact CZ-CB 4.19Å; F121-V140 CarbonylContact O-C 3.54Å; F121-V140 WeakPolarHBondContact O-CA 3.41Å; F121-Q141 HydrophobicContact CD1-CB 4.01Å; F121-Q141 HydrophobicContact CE1-CB 3.51Å; F121-Q141 HydrophobicContact CE1-CG 3.91Å; F121-Q141 HydrophobicContact CZ-CB 3.98Å; F121-Q141 HydrophobicContact CZ-CG 3.87Å; F121-Q141 PolarHBondContact N-O 3.08Å; F121-Q141 PolarHBondContact O-N 3.12Å
122S98.9Very high96.7Very high0 Ų037.3 Ų37.30%023%0.225CC..EExtended strand (participates in β ladder)trans-128.1129.7158.3178.20000110.1Y108 L109 C137 E139Y108-S122 CarbonylContact C-O 3.38Å; Y108-S122 WeakPolarHBondContact CA-O 3.49Å; L109-S122 PolarHBondContact N-O 2.83Å; L109-S122 PolarHBondContact O-N 3.02Å; S122-C137 PolarHBondContact OG-SG 2.76Å; S122-E139 CarbonylContact C-O 3.59Å; S122-E139 WeakPolarHBondContact CA-O 3.42Å; S122-E139 VanDerWaalsContact CB-O 3.31Å; S122-E139 WeakPolarHBondContact CB-O 3.29Å; S122-E139 PolarHBondContact OG-O 3.47Å
123H98.9Very high96.7Very high0 Ų035.8 Ų35.80%022%0.219CC..EExtended strand (participates in β ladder)trans-95.5125.5169161.9-139.7000107.9E100 A106 W107 Y108 F121 Y138 E139E100-H123 PolarHBondContact O-CE1 2.8Å; E100-H123 IonicContact OE1-CE1 3.73Å; E100-H123 IonicContact OE1-ND1 3.47Å; A106-H123 WeakPolarHBondContact CB-NE2 3.46Å; W107-H123 CarbonylContact O-C 3.48Å; W107-H123 WeakPolarHBondContact O-CA 3.47Å; Y108-H123 HydrophobicContact CD1-CB 4.34Å; Y108-H123 HydrophobicContact CE1-CB 3.9Å; F121-H123 HydrophobicContact CD2-CB 4.33Å; F121-H123 HydrophobicContact CE2-CB 3.92Å; H123-Y138 AromaticContact CE1-CD2 3.97Å; H123-Y138 AromaticContact CE1-CG 3.68Å; H123-Y138 WeakPolarHBondContact ND1-CB 3.29Å; H123-Y138 AromaticContact ND1-CG 3.95Å; H123-Y138 PolarHBondContact O-N 3.4Å; H123-E139 HydrophobicContact CB-CB 4.18Å; H123-E139 PolarHBondContact N-O 2.93Å; H123-E139 PolarHBondContact O-N 3.49Å; H123-E139 VanDerWaalsContact O-N 3.11Å
124F98.9Very high96.7Very high0 Ų033.8 Ų33.80%021%0.209CC..EExtended strand (participates in β ladder)trans-144.3167.2-179.171.2-86.2000112.1W107 L109 F126 L135 Y136 L159 M162W107-F124 HydrophobicContact CB-CD1 4.02Å; W107-F124 HydrophobicContact CB-CD2 3.96Å; W107-F124 HydrophobicContact CB-CE1 3.63Å; W107-F124 HydrophobicContact CB-CE2 3.58Å; W107-F124 HydrophobicContact CB-CG 4.18Å; W107-F124 HydrophobicContact CB-CZ 3.4Å; W107-F124 VanDerWaalsContact CB-CZ 3.4Å; W107-F124 WeakPolarHBondContact CB-O 3.44Å; W107-F124 HydrophobicContact CG-CE2 4.03Å; W107-F124 HydrophobicContact CG-CZ 4.09Å; W107-F124 PolarHBondContact N-O 3.47Å; W107-F124 PolarHBondContact O-N 3.34Å; L109-F124 HydrophobicContact CB-CE1 4.21Å; F124-F126 AromaticContact CE2-CE2 3.92Å; F124-F126 HydrophobicContact CE2-CE2 3.92Å; F124-F126 HydrophobicContact CE2-CZ 4.08Å; F124-L135 HydrophobicContact CB-CD2 3.78Å; F124-L135 HydrophobicContact CD2-CD1 3.87Å; F124-L135 HydrophobicContact CD2-CD2 3.77Å; F124-L135 HydrophobicContact CD2-CG 3.69Å; F124-L135 HydrophobicContact CE2-CD1 3.99Å; F124-L135 HydrophobicContact CE2-CG 4.28Å; F124-L135 HydrophobicContact CG-CD2 3.98Å; F124-L135 HydrophobicContact CG-CG 4.41Å; F124-Y136 CarbonylContact C-O 3.58Å; F124-Y136 WeakPolarHBondContact CA-O 3.33Å; F124-Y136 VanDerWaalsContact CB-O 3.26Å; F124-Y136 WeakPolarHBondContact CB-O 3.27Å; F124-L159 HydrophobicContact CD1-CD2 3.64Å; F124-L159 HydrophobicContact CE1-CD2 3.89Å; F124-L159 HydrophobicContact CG-CD2 3.99Å; F124-L159 HydrophobicContact CZ-CD2 4.45Å; F124-M162 HydrophobicContact CE1-CE 3.82Å; F124-M162 HydrophobicContact CE2-CE 4.02Å; F124-M162 HydrophobicContact CZ-CE 3.43Å; F124-M162 VanDerWaalsContact CZ-CE 3.43Å; F124-M162 HydrophobicContact CZ-SD 4.26Å
125R98.8Very high97Very high7 Ų727.8 Ų27.83%0.02618%0.178CC..EExtended strand (participates in β ladder)trans-137.4151.7172.7-57.2-175.4-170.7-171.84.6110.6E100 D103 R105 L135 Y136 Y138E100-R125 PolarHBondContact O-NH2 2.83Å; D103-R125 IonicContact OD1-CZ 3.86Å; D103-R125 IonicContact OD1-NH1 2.62Å; D103-R125 IonicContact OD2-CZ 3.74Å; D103-R125 IonicContact OD2-NH1 2.73Å; D103-R125 PolarHBondContact OD2-NH1 3.47Å; D103-R125 IonicContact OD2-NH2 2.76Å; D103-R125 PolarHBondContact OD2-NH2 3.13Å; R105-R125 VanDerWaalsContact NH2-NH1 3.11Å; R125-L135 CarbonylContact O-C 3.55Å; R125-L135 WeakPolarHBondContact O-CA 3.25Å; R125-Y136 PolarHBondContact N-O 3.12Å; R125-Y136 PolarHBondContact O-N 2.77Å; R125-Y138 HydrophobicContact CB-CE2 4.06Å; R125-Y138 HydrophobicContact CG-CD2 4.16Å; R125-Y138 HydrophobicContact CG-CE2 3.66Å
126F98.8Very high97.4Very high4 Ų424.4 Ų24.42%0.01815%0.149CC..EExtended strand (participates in β ladder)trans-88.5121157.9-61.2-75.1000107.3V29 A32 N33 P38 F124 V134 L135 T166 M168V29-F126 HydrophobicContact CG1-CB 4.37Å; V29-F126 WeakPolarHBondContact CG1-O 3.39Å; A32-F126 HydrophobicContact CB-CB 4.03Å; A32-F126 HydrophobicContact CB-CD1 3.83Å; A32-F126 HydrophobicContact CB-CD2 3.77Å; A32-F126 HydrophobicContact CB-CE1 4.18Å; A32-F126 HydrophobicContact CB-CE2 4.13Å; A32-F126 HydrophobicContact CB-CG 3.6Å; A32-F126 HydrophobicContact CB-CZ 4.32Å; N33-F126 PolarHBondContact ND2-O 2.76Å; N33-F126 VanDerWaalsContact ND2-O 3.08Å; P38-F126 HydrophobicContact CB-CE2 4.39Å; P38-F126 HydrophobicContact CB-CZ 4.37Å; P38-F126 HydrophobicContact CG-CE2 4.11Å; F124-F126 AromaticContact CE2-CE2 3.92Å; F124-F126 HydrophobicContact CE2-CE2 3.92Å; F124-F126 HydrophobicContact CE2-CZ 4.08Å; F126-V134 WeakPolarHBondContact CA-O 3.5Å; F126-L135 HydrophobicContact CD1-CB 4.23Å; F126-L135 HydrophobicContact CD1-CD1 4.43Å; F126-L135 HydrophobicContact CD1-CG 4.34Å; F126-L135 HydrophobicContact CE1-CB 4.24Å; F126-L135 HydrophobicContact CE1-CD1 3.72Å; F126-L135 HydrophobicContact CE1-CG 4.12Å; F126-L135 HydrophobicContact CZ-CD1 4.11Å; F126-T166 HydrophobicContact CE1-CG2 4.18Å; F126-T166 VanDerWaalsContact CE1-OG1 3.24Å; F126-T166 WeakPolarHBondContact CE1-OG1 3Å; F126-T166 HydrophobicContact CZ-CG2 4.09Å; F126-M168 HydrophobicContact CD1-CG 3.75Å; F126-M168 HydrophobicContact CD1-SD 3.91Å; F126-M168 HydrophobicContact CE1-CG 4.07Å
127D97.9Very high97.7Very high46 Ų4620.7 Ų20.725%0.24612%0.123CC..EExtended strand (participates in β ladder)trans-148.5175.2-175-142.1-28.2000111.7V29 R105 V134V29-D127 WeakPolarHBondContact CG2-O 3.47Å; R105-D127 IonicContact NH1-OD2 2.89Å; D127-V134 PolarHBondContact N-O 3.46Å; D127-V134 PolarHBondContact O-N 3.46Å
128V97.2Very high97.7Very high42 Ų4221 Ų2126%0.25512%0.118SC..EExtended strand (participates in β ladder)trans-102.8112.9172.4-176.70000109.3M22 V25 V29 D132M22-V128 HydrophobicContact SD-CG1 4.34Å; V25-V128 HydrophobicContact CG1-CB 4.45Å; V25-V128 HydrophobicContact CG1-CG1 3.89Å; V25-V128 HydrophobicContact CG1-CG2 3.77Å; V29-V128 HydrophobicContact CG2-CG2 3.88Å; V128-D132 CarbonylContact C-O 3.59Å; V128-D132 VanDerWaalsContact CA-O 3.3Å; V128-D132 WeakPolarHBondContact CA-O 3.28Å
129E95.3Very high97.7Very high68 Ų6820.4 Ų20.432%0.31811%0.114SC..EExtended strand (participates in β ladder)trans-118.2123.8179.4-172.757.5-146.500110G131 D132 V134 M172E129-G131 PolarHBondContact O-N 3.21Å; E129-D132 PolarHBondContact N-O 3.26Å; E129-D132 PolarHBondContact O-N 3.03Å; E129-V134 HydrophobicContact CB-CG1 4.26Å; E129-V134 HydrophobicContact CB-CG2 3.61Å; E129-M172 HydrophobicContact CB-SD 3.99Å; E129-M172 HydrophobicContact CG-CE 3.83Å; E129-M172 HydrophobicContact CG-SD 3.75Å
130C92.1Very high97.7Very high92 Ų9221.9 Ų21.962%0.62212%0.123SC*.THydrogen-bonded Turntrans48.331.3-174.1-59.50000114.7S197C130-S197 VanDerWaalsContact SG-CB 3.58Å
131G92.4Very high97.7Very high28 Ų2822.5 Ų22.529%0.28913%0.125SC..THydrogen-bonded Turntrans85.33.9-179.900000115.4E129E129-G131 PolarHBondContact O-N 3.21Å
132D95.3Very high97.7Very high30 Ų3023.4 Ų23.416%0.1613%0.13CC..EExtended strand (participates in β ladder)trans-104.4143.8173.2-77.3-28.9000111.4V128 E129 V134 K169 K170V128-D132 CarbonylContact C-O 3.59Å; V128-D132 VanDerWaalsContact CA-O 3.3Å; V128-D132 WeakPolarHBondContact CA-O 3.28Å; E129-D132 PolarHBondContact N-O 3.26Å; E129-D132 PolarHBondContact O-N 3.03Å; D132-V134 HydrophobicContact CB-CG1 4.06Å; D132-V134 PolarHBondContact O-N 2.87Å; D132-K169 HydrophobicContact CB-CD 4.07Å; D132-K169 VanDerWaalsContact OD1-CD 3.23Å; D132-K169 WeakPolarHBondContact OD1-CD 3.48Å; D132-K169 IonicContact OD1-NZ 3.34Å; D132-K169 PolarHBondContact OD1-NZ 2.8Å; D132-K170 IonicContact OD2-NZ 2.82Å
133E98.1Very high97.7Very high2 Ų226.2 Ų26.21%0.00914%0.143CC..EExtended strand (participates in β ladder)trans-72.7119.1167.262.1-80.8-152.900110.4V25 K28 V29 M168 K169V25-E133 HydrophobicContact CG1-CB 3.97Å; V25-E133 WeakPolarHBondContact CG2-OE2 3.34Å; K28-E133 HydrophobicContact CB-CG 4.47Å; K28-E133 HydrophobicContact CD-CG 3.9Å; K28-E133 WeakPolarHBondContact CD-OE1 3.28Å; K28-E133 IonicContact NZ-OE1 2.8Å; K28-E133 PolarHBondContact NZ-OE1 3.47Å; V29-E133 HydrophobicContact CG2-CB 3.8Å; E133-M168 HydrophobicContact CB-CE 3.84Å; E133-M168 HydrophobicContact CB-SD 3.83Å; E133-M168 HydrophobicContact CG-CE 3.98Å; E133-M168 HydrophobicContact CG-SD 4.29Å; E133-K169 HydrophobicContact CG-CG 4.29Å; E133-K169 PolarHBondContact O-N 3.19Å; E133-K169 WeakPolarHBondContact OE1-CE 3.38Å; E133-K169 WeakPolarHBondContact OE2-CE 3.4Å; E133-K169 IonicContact OE2-NZ 2.93Å
134V98.7Very high97.7Very high0 Ų030.5 Ų30.50%017%0.173CC..EExtended strand (participates in β ladder)trans-134.5157.5-172.7-54.70000112.7F126 D127 E129 D132 K170 M172F126-V134 WeakPolarHBondContact CA-O 3.5Å; D127-V134 PolarHBondContact N-O 3.46Å; D127-V134 PolarHBondContact O-N 3.46Å; E129-V134 HydrophobicContact CB-CG1 4.26Å; E129-V134 HydrophobicContact CB-CG2 3.61Å; D132-V134 HydrophobicContact CB-CG1 4.06Å; D132-V134 PolarHBondContact O-N 2.87Å; V134-K170 WeakPolarHBondContact CA-O 3.11Å; V134-K170 HydrophobicContact CB-CG 4.38Å; V134-K170 HydrophobicContact CG1-CD 4.28Å; V134-K170 HydrophobicContact CG1-CG 3.53Å; V134-M172 HydrophobicContact CB-CG 4.42Å; V134-M172 HydrophobicContact CB-SD 4.3Å; V134-M172 HydrophobicContact CG1-CG 4.33Å; V134-M172 HydrophobicContact CG1-SD 3.81Å; V134-M172 HydrophobicContact CG2-SD 4.35Å
135L98.8Very high97.7Very high0 Ų036.1 Ų36.10%020%0.198CC..EExtended strand (participates in β ladder)trans-99.2108.9158.8-171.8163.6000107.9F124 R125 F126 L159 M162 A163 K170 V171 M172F124-L135 HydrophobicContact CB-CD2 3.78Å; F124-L135 HydrophobicContact CD2-CD1 3.87Å; F124-L135 HydrophobicContact CD2-CD2 3.77Å; F124-L135 HydrophobicContact CD2-CG 3.69Å; F124-L135 HydrophobicContact CE2-CD1 3.99Å; F124-L135 HydrophobicContact CE2-CG 4.28Å; F124-L135 HydrophobicContact CG-CD2 3.98Å; F124-L135 HydrophobicContact CG-CG 4.41Å; R125-L135 CarbonylContact O-C 3.55Å; R125-L135 WeakPolarHBondContact O-CA 3.25Å; F126-L135 HydrophobicContact CD1-CB 4.23Å; F126-L135 HydrophobicContact CD1-CD1 4.43Å; F126-L135 HydrophobicContact CD1-CG 4.34Å; F126-L135 HydrophobicContact CE1-CB 4.24Å; F126-L135 HydrophobicContact CE1-CD1 3.72Å; F126-L135 HydrophobicContact CE1-CG 4.12Å; F126-L135 HydrophobicContact CZ-CD1 4.11Å; L135-L159 HydrophobicContact CD1-CB 4.26Å; L135-L159 WeakPolarHBondContact CD1-O 3.08Å; L135-L159 HydrophobicContact CD2-CB 4Å; L135-L159 HydrophobicContact CD2-CD1 4.07Å; L135-L159 HydrophobicContact CD2-CD2 4.3Å; L135-L159 HydrophobicContact CD2-CG 4.35Å; L135-M162 HydrophobicContact CD1-CB 4.2Å; L135-M162 HydrophobicContact CD1-CE 4.41Å; L135-A163 HydrophobicContact CB-CB 3.89Å; L135-A163 HydrophobicContact CD1-CB 4.12Å; L135-K170 PolarHBondContact N-O 3.17Å; L135-V171 HydrophobicContact CB-CG2 4.4Å; L135-V171 HydrophobicContact CD2-CG1 4.31Å; L135-V171 CarbonylContact O-C 3.54Å; L135-V171 VanDerWaalsContact O-CA 3.28Å; L135-V171 WeakPolarHBondContact O-CA 3.26Å; L135-M172 PolarHBondContact O-N 2.93Å
136Y98.9Very high97.7Very high30 Ų3035.8 Ų35.812%0.11820%0.197CC..EExtended strand (participates in β ladder)trans-93.3115.8178.8-156.2-75.4000110.5F124 R125 Y138 M172 T174F124-Y136 CarbonylContact C-O 3.58Å; F124-Y136 WeakPolarHBondContact CA-O 3.33Å; F124-Y136 VanDerWaalsContact CB-O 3.26Å; F124-Y136 WeakPolarHBondContact CB-O 3.27Å; R125-Y136 PolarHBondContact N-O 3.12Å; R125-Y136 PolarHBondContact O-N 2.77Å; Y136-Y138 AromaticContact CD1-CD2 3.84Å; Y136-Y138 HydrophobicContact CD1-CD2 3.84Å; Y136-Y138 AromaticContact CD1-CE2 3.81Å; Y136-Y138 HydrophobicContact CD1-CE2 3.81Å; Y136-Y138 HydrophobicContact CD1-CG 4.23Å; Y136-Y138 HydrophobicContact CG-CE2 4.29Å; Y136-M172 HydrophobicContact CD2-CB 3.73Å; Y136-M172 HydrophobicContact CE2-CB 3.96Å; Y136-M172 HydrophobicContact CG-CB 4.44Å; Y136-T174 PolarHBondContact OH-OG1 3.42Å
137C98.9Very high97.6Very high4 Ų440.6 Ų40.63%0.02722%0.215CC..EExtended strand (participates in β ladder)trans-87.7103.9174.2174.10000109S122 E139 L159 M172 L173S122-C137 PolarHBondContact OG-SG 2.76Å; C137-E139 PolarHBondContact SG-O 2.95Å; C137-L159 HydrophobicContact CB-CD1 3.74Å; C137-M172 PolarHBondContact N-O 2.94Å; C137-L173 HydrophobicContact CB-CB 4.17Å; C137-L173 WeakPolarHBondContact O-CB 3.33Å
138Y98.7Very high97.7Very high67 Ų6749.7 Ų49.726%0.26325%0.246SC..EExtended strand (participates in β ladder)trans-73.6-45176.8-76.6-98.9000111E100 H123 R125 Y136E100-Y138 HydrophobicContact CG-CD1 4.03Å; E100-Y138 HydrophobicContact CG-CE1 4.19Å; E100-Y138 WeakPolarHBondContact OE1-CD1 3.43Å; H123-Y138 AromaticContact CE1-CD2 3.97Å; H123-Y138 AromaticContact CE1-CG 3.68Å; H123-Y138 WeakPolarHBondContact ND1-CB 3.29Å; H123-Y138 AromaticContact ND1-CG 3.95Å; H123-Y138 PolarHBondContact O-N 3.4Å; R125-Y138 HydrophobicContact CB-CE2 4.06Å; R125-Y138 HydrophobicContact CG-CD2 4.16Å; R125-Y138 HydrophobicContact CG-CE2 3.66Å; Y136-Y138 AromaticContact CD1-CD2 3.84Å; Y136-Y138 HydrophobicContact CD1-CD2 3.84Å; Y136-Y138 AromaticContact CD1-CE2 3.81Å; Y136-Y138 HydrophobicContact CD1-CE2 3.81Å; Y136-Y138 HydrophobicContact CD1-CG 4.23Å; Y136-Y138 HydrophobicContact CG-CE2 4.29Å
139E98.8Very high97.7Very high9 Ų951 Ų514%0.04225%0.248CC..EExtended strand (participates in β ladder)trans-137.7145.8-178-64.6-61.3159.700111.4T77 K97 F121 S122 H123 C137 Q141T77-E139 HydrophobicContact CG2-CG 4.23Å; K97-E139 WeakPolarHBondContact CE-OE1 3.32Å; K97-E139 IonicContact NZ-OE1 2.72Å; K97-E139 PolarHBondContact NZ-OE1 3.47Å; F121-E139 HydrophobicContact CE2-CB 3.92Å; F121-E139 HydrophobicContact CZ-CB 4.19Å; S122-E139 CarbonylContact C-O 3.59Å; S122-E139 WeakPolarHBondContact CA-O 3.42Å; S122-E139 VanDerWaalsContact CB-O 3.31Å; S122-E139 WeakPolarHBondContact CB-O 3.29Å; S122-E139 PolarHBondContact OG-O 3.47Å; H123-E139 HydrophobicContact CB-CB 4.18Å; H123-E139 PolarHBondContact N-O 2.93Å; H123-E139 PolarHBondContact O-N 3.49Å; H123-E139 VanDerWaalsContact O-N 3.11Å; C137-E139 PolarHBondContact SG-O 2.95Å; E139-Q141 HydrophobicContact CB-CG 4.27Å; E139-Q141 PolarHBondContact OE2-NE2 3.4Å
140V98.9Very high97.9Very high30 Ų3049.2 Ų49.218%0.18225%0.248CC..EExtended strand (participates in β ladder)trans-138107.1160.156.60000108.3F121 L142 L155 I156 F186F121-V140 CarbonylContact O-C 3.54Å; F121-V140 WeakPolarHBondContact O-CA 3.41Å; V140-L142 HydrophobicContact CG2-CD1 4.03Å; V140-L155 HydrophobicContact CG2-CD1 4.43Å; V140-I156 HydrophobicContact CB-CD1 4.11Å; V140-I156 HydrophobicContact CG1-CD1 4.08Å; V140-I156 HydrophobicContact CG2-CD1 4.18Å; V140-F186 HydrophobicContact CG1-CE1 4.46Å; V140-F186 HydrophobicContact CG1-CZ 3.72Å
141Q98.9Very high98.2Very high13 Ų1344.9 Ų44.96%0.06122%0.219CC..EExtended strand (participates in β ladder)trans-125.1134.2-170-60.6-63.2-18.800110.1L76 N80 A120 F121 E139L76-Q141 HydrophobicContact CD2-CB 3.96Å; L76-Q141 HydrophobicContact CG-CB 4.07Å; N80-Q141 VanDerWaalsContact CB-OE1 3.26Å; N80-Q141 PolarHBondContact ND2-OE1 2.9Å; A120-Q141 CarbonylContact C-O 3.53Å; A120-Q141 WeakPolarHBondContact CA-O 3.4Å; F121-Q141 HydrophobicContact CD1-CB 4.01Å; F121-Q141 HydrophobicContact CE1-CB 3.51Å; F121-Q141 HydrophobicContact CE1-CG 3.91Å; F121-Q141 HydrophobicContact CZ-CB 3.98Å; F121-Q141 HydrophobicContact CZ-CG 3.87Å; F121-Q141 PolarHBondContact N-O 3.08Å; F121-Q141 PolarHBondContact O-N 3.12Å; E139-Q141 HydrophobicContact CB-CG 4.27Å; E139-Q141 PolarHBondContact OE2-NE2 3.4Å
142L98.9Very high98.5Very high20 Ų2044 Ų4411%0.10521%0.21CC..EExtended strand (participates in β ladder)trans-126.7136.4-179.2-81.471.9000109.1A120 V140 V146 R147 L151 L155A120-L142 HydrophobicContact CB-CB 4.37Å; A120-L142 HydrophobicContact CB-CD1 4.11Å; A120-L142 HydrophobicContact CB-CG 3.66Å; V140-L142 HydrophobicContact CG2-CD1 4.03Å; L142-V146 HydrophobicContact CB-CG2 4.18Å; L142-V146 HydrophobicContact CD2-CG2 4.38Å; L142-V146 HydrophobicContact CG-CG2 4.38Å; L142-R147 HydrophobicContact CB-CG 3.86Å; L142-R147 VanDerWaalsContact O-CZ 3.32Å; L142-R147 PolarHBondContact O-NE 3.41Å; L142-R147 PolarHBondContact O-NH2 3.25Å; L142-L151 HydrophobicContact CD2-CB 4.17Å; L142-L151 HydrophobicContact CD2-CG 4.43Å; L142-L155 HydrophobicContact CD1-CD1 4.35Å
143E98.8Very high98.7Very high58 Ų5846.8 Ų46.827%0.27122%0.221SC..  trans-56.4141.3165.2-70.5-67.6176.800110.3W72 L76 V119 K145 V146 R147W72-E143 HydrophobicContact CZ2-CG 4.49Å; W72-E143 PolarHBondContact NE1-OE1 2.97Å; L76-E143 HydrophobicContact CD2-CG 4.39Å; V119-E143 HydrophobicContact CB-CG 4.4Å; V119-E143 WeakPolarHBondContact O-CB 3.1Å; V119-E143 WeakPolarHBondContact O-CG 3.31Å; V119-E143 PolarHBondContact O-N 2.87Å; E143-K145 HydrophobicContact CB-CG 4.27Å; E143-K145 PolarHBondContact O-N 3.07Å; E143-K145 VanDerWaalsContact O-N 3.11Å; E143-V146 HydrophobicContact CB-CG2 4.23Å; E143-V146 VanDerWaalsContact O-CG2 3.29Å; E143-V146 WeakPolarHBondContact O-CG2 3.47Å; E143-V146 PolarHBondContact O-N 3.25Å; E143-R147 PolarHBondContact O-N 3.3Å
144S98.6Very high98.7Very high90 Ų9047.1 Ų47.163%0.62922%0.222SC*.G310 helixtrans-52.9-40.6-175.6-1740000112.5V146 R147S144-V146 PolarHBondContact O-N 3.25Å; S144-V146 VanDerWaalsContact O-N 3.14Å; S144-R147 PolarHBondContact O-N 3.45Å
145K98.3Very high98.7Very high118 Ų11847.1 Ų47.151%0.51322%0.222SC..G310 helixtrans-62-20.6-178.473.4-179.2-171.3167.60115E113 E143E113-K145 WeakPolarHBondContact OE2-CE 3.38Å; E113-K145 IonicContact OE2-NZ 2.65Å; E113-K145 PolarHBondContact OE2-NZ 3.08Å; E143-K145 HydrophobicContact CB-CG 4.27Å; E143-K145 PolarHBondContact O-N 3.07Å; E143-K145 VanDerWaalsContact O-N 3.11Å
146V98.6Very high98.7Very high1 Ų147.1 Ų47.11%0.00622%0.222CC..G310 helixtrans-109.41-178.9-55.40000113.7L53 V119 L142 E143 S144 L151L53-V146 HydrophobicContact CD1-CB 4.11Å; L53-V146 HydrophobicContact CD2-CB 4.02Å; L53-V146 HydrophobicContact CD2-CG1 3.72Å; V119-V146 HydrophobicContact CB-CG1 3.91Å; V119-V146 HydrophobicContact CB-CG2 4.19Å; V119-V146 HydrophobicContact CG1-CG1 4.35Å; V119-V146 HydrophobicContact CG2-CG1 4.08Å; V119-V146 HydrophobicContact CG2-CG2 4.43Å; V119-V146 WeakPolarHBondContact O-CG2 3.19Å; L142-V146 HydrophobicContact CB-CG2 4.18Å; L142-V146 HydrophobicContact CD2-CG2 4.38Å; L142-V146 HydrophobicContact CG-CG2 4.38Å; E143-V146 HydrophobicContact CB-CG2 4.23Å; E143-V146 VanDerWaalsContact O-CG2 3.29Å; E143-V146 WeakPolarHBondContact O-CG2 3.47Å; E143-V146 PolarHBondContact O-N 3.25Å; S144-V146 PolarHBondContact O-N 3.25Å; S144-V146 VanDerWaalsContact O-N 3.14Å; V146-L151 HydrophobicContact CB-CD2 4.35Å; V146-L151 HydrophobicContact CG2-CD2 4.09Å
147R98.6Very high98.7Very high104 Ų10449.1 Ų49.139%0.39223%0.232SC..THydrogen-bonded Turntrans-70.3159.8178-67.4-179.2-170.7174.45.4112N80 L142 E143 S144 K149N80-R147 PolarHBondContact ND2-NH2 3.22Å; N80-R147 PolarHBondContact OD1-NH2 3.08Å; L142-R147 HydrophobicContact CB-CG 3.86Å; L142-R147 VanDerWaalsContact O-CZ 3.32Å; L142-R147 PolarHBondContact O-NE 3.41Å; L142-R147 PolarHBondContact O-NH2 3.25Å; E143-R147 PolarHBondContact O-N 3.3Å; S144-R147 PolarHBondContact O-N 3.45Å; R147-K149 PolarHBondContact O-N 3.33Å
148R98.3Very high98.7Very high238 Ų23849 Ų4990%0.89823%0.231SC*.THydrogen-bonded Turntrans58.115.1178.3-56-56.5-59.1-162.5-3.6115.4
149K98.5Very high98.7Very high68 Ų6845.8 Ų45.830%0.29622%0.219SC..SBendtrans-102.25.2174.9-65-178179.8-158.30113.7Y48 N51 L53 R147Y48-K149 PolarHBondContact OH-O 3.39Å; N51-K149 HydrophobicContact CB-CB 4.08Å; N51-K149 HydrophobicContact CB-CG 4.5Å; N51-K149 PolarHBondContact ND2-O 3.45Å; N51-K149 WeakPolarHBondContact O-CD 3.34Å; L53-K149 HydrophobicContact CD1-CB 3.66Å; L53-K149 HydrophobicContact CD1-CD 3.95Å; L53-K149 HydrophobicContact CD1-CG 4.45Å; L53-K149 HydrophobicContact CD2-CD 3.7Å; L53-K149 HydrophobicContact CG-CB 4.06Å; L53-K149 HydrophobicContact CG-CD 3.58Å; L53-K149 HydrophobicContact CG-CG 4.48Å; R147-K149 PolarHBondContact O-N 3.33Å
150G98.6Very high98.7Very high32 Ų3247.1 Ų47.133%0.3323%0.225SC..SBendtrans92-7.6178.300000115.4Y48 G152 K153 F154Y48-G150 WeakPolarHBondContact OH-CA 3.31Å; G150-G152 PolarHBondContact O-N 3.34Å; G150-K153 PolarHBondContact O-N 3.39Å; G150-F154 PolarHBondContact O-N 3.36Å; G150-F154 VanDerWaalsContact O-N 3.07Å
151L98.8Very high98.7Very high1 Ų148.2 Ų48.21%0.00523%0.229CC..Hα-helixtrans-59.2-43.6179.9-178.860.3000112.9Y48 L53 V55 A111 A120 L142 V146 K153 F154 L155Y48-L151 HydrophobicContact CD1-CD1 4.14Å; Y48-L151 HydrophobicContact CE1-CB 4.45Å; Y48-L151 HydrophobicContact CG-CD1 4.11Å; L53-L151 HydrophobicContact CD1-CB 3.92Å; L53-L151 HydrophobicContact CD1-CD2 4.17Å; V55-L151 HydrophobicContact CG2-CD1 3.96Å; A111-L151 HydrophobicContact CB-CD1 4.31Å; A111-L151 HydrophobicContact CB-CD2 4.16Å; A120-L151 HydrophobicContact CB-CD2 3.79Å; A120-L151 HydrophobicContact CB-CG 4.43Å; L142-L151 HydrophobicContact CD2-CB 4.17Å; L142-L151 HydrophobicContact CD2-CG 4.43Å; V146-L151 HydrophobicContact CB-CD2 4.35Å; V146-L151 HydrophobicContact CG2-CD2 4.09Å; L151-K153 VanDerWaalsContact C-N 3.35Å; L151-K153 PolarHBondContact O-N 3.36Å; L151-F154 WeakPolarHBondContact O-CA 3.34Å; L151-F154 WeakPolarHBondContact O-CB 3.5Å; L151-F154 PolarHBondContact O-N 2.94Å; L151-L155 HydrophobicContact CD1-CG 4.46Å; L151-L155 PolarHBondContact O-N 3.49Å
152G98.8Very high98.7Very high10 Ų1047.6 Ų47.610%0.10323%0.227CC..Hα-helixtrans-61.5-41.9179.100000112.6G150 F154 L155 I156G150-G152 PolarHBondContact O-N 3.34Å; G152-F154 VanDerWaalsContact C-N 3.28Å; G152-F154 PolarHBondContact O-N 2.92Å; G152-L155 PolarHBondContact O-N 3.41Å; G152-I156 WeakPolarHBondContact O-CG1 3.23Å; G152-I156 PolarHBondContact O-N 3.16Å
153K98.8Very high98.6Very high88 Ų8846.6 Ų46.638%0.38322%0.222SC..Hα-helixtrans-59.4-42.4172.8173.1160.4-175.6162.30110.9G150 L151 I156 Q157 F185 A189 L190G150-K153 PolarHBondContact O-N 3.39Å; L151-K153 VanDerWaalsContact C-N 3.35Å; L151-K153 PolarHBondContact O-N 3.36Å; K153-I156 PolarHBondContact O-N 2.99Å; K153-Q157 HydrophobicContact CG-CG 4.43Å; K153-Q157 VanDerWaalsContact O-CG 3.26Å; K153-Q157 WeakPolarHBondContact O-CG 3.07Å; K153-Q157 PolarHBondContact O-N 2.75Å; K153-F185 HydrophobicContact CB-CE2 4.01Å; K153-F185 HydrophobicContact CB-CZ 4.49Å; K153-A189 PolarHBondContact NZ-O 3.48Å; K153-L190 HydrophobicContact CB-CD2 4.5Å; K153-L190 HydrophobicContact CD-CD2 4.32Å; K153-L190 HydrophobicContact CG-CD2 3.85Å
154F98.8Very high98.6Very high9 Ų946.8 Ų46.84%0.03922%0.224CC..Hα-helixtrans-64.4-42.6-179.7-165.9-113.6000112.6F45 Y48 I57 G150 L151 G152 I156 Q157 I158F45-F154 HydrophobicContact CB-CZ 4.23Å; F45-F154 AromaticContact CD1-CE2 3.55Å; F45-F154 HydrophobicContact CD1-CE2 3.55Å; F45-F154 AromaticContact CD1-CZ 3.56Å; F45-F154 HydrophobicContact CD1-CZ 3.56Å; F45-F154 AromaticContact CE1-CE2 3.92Å; F45-F154 HydrophobicContact CE1-CE2 3.92Å; F45-F154 HydrophobicContact CE1-CZ 4.35Å; F45-F154 HydrophobicContact CG-CZ 4.27Å; Y48-F154 HydrophobicContact CD2-CB 3.82Å; Y48-F154 AromaticContact CD2-CD1 3.41Å; Y48-F154 HydrophobicContact CD2-CD1 3.41Å; Y48-F154 VanDerWaalsContact CD2-CD1 3.41Å; Y48-F154 AromaticContact CD2-CD2 3.86Å; Y48-F154 HydrophobicContact CD2-CD2 3.86Å; Y48-F154 AromaticContact CD2-CE1 3.8Å; Y48-F154 HydrophobicContact CD2-CE1 3.8Å; Y48-F154 HydrophobicContact CD2-CE2 4.22Å; Y48-F154 AromaticContact CD2-CG 3.42Å; Y48-F154 HydrophobicContact CD2-CG 3.42Å; Y48-F154 VanDerWaalsContact CD2-CG 3.42Å; Y48-F154 HydrophobicContact CD2-CZ 4.17Å; Y48-F154 HydrophobicContact CE2-CB 3.8Å; Y48-F154 HydrophobicContact CE2-CD1 4.26Å; Y48-F154 HydrophobicContact CE2-CD2 4.1Å; Y48-F154 AromaticContact CE2-CG 3.81Å; Y48-F154 HydrophobicContact CE2-CG 3.81Å; Y48-F154 HydrophobicContact CG-CD1 4.05Å; Y48-F154 HydrophobicContact CG-CE1 4.35Å; Y48-F154 HydrophobicContact CG-CG 4.43Å; I57-F154 HydrophobicContact CD1-CD1 3.57Å; I57-F154 HydrophobicContact CD1-CE1 3.54Å; G150-F154 PolarHBondContact O-N 3.36Å; G150-F154 VanDerWaalsContact O-N 3.07Å; L151-F154 WeakPolarHBondContact O-CA 3.34Å; L151-F154 WeakPolarHBondContact O-CB 3.5Å; L151-F154 PolarHBondContact O-N 2.94Å; G152-F154 VanDerWaalsContact C-N 3.28Å; G152-F154 PolarHBondContact O-N 2.92Å; F154-I156 PolarHBondContact O-N 2.94Å; F154-Q157 WeakPolarHBondContact O-CB 3.45Å; F154-Q157 PolarHBondContact O-N 2.91Å; F154-I158 HydrophobicContact CD1-CD1 3.92Å; F154-I158 HydrophobicContact CE1-CD1 3.83Å; F154-I158 WeakPolarHBondContact O-CG1 3.37Å; F154-I158 PolarHBondContact O-N 3.1Å
155L98.9Very high98.5Very high0 Ų044.6 Ų44.60%021%0.209CC..Hα-helixtrans-60.4-46.1175.6-64.9179.2000111.7I57 L109 A120 V140 L142 L151 G152 Q157 I158 L159I57-L155 HydrophobicContact CD1-CD2 4.06Å; I57-L155 HydrophobicContact CG2-CD2 4.38Å; L109-L155 HydrophobicContact CD2-CB 4.22Å; L109-L155 HydrophobicContact CD2-CD2 3.7Å; L109-L155 HydrophobicContact CG-CD2 4.08Å; A120-L155 HydrophobicContact CB-CD1 3.87Å; V140-L155 HydrophobicContact CG2-CD1 4.43Å; L142-L155 HydrophobicContact CD1-CD1 4.35Å; L151-L155 HydrophobicContact CD1-CG 4.46Å; L151-L155 PolarHBondContact O-N 3.49Å; G152-L155 PolarHBondContact O-N 3.41Å; L155-Q157 VanDerWaalsContact C-N 3.31Å; L155-Q157 PolarHBondContact O-N 2.88Å; L155-I158 WeakPolarHBondContact O-CB 3.2Å; L155-I158 PolarHBondContact O-N 3.43Å; L155-I158 VanDerWaalsContact O-N 3.12Å; L155-L159 PolarHBondContact O-N 3.44Å; L155-L159 VanDerWaalsContact O-N 3.07Å
156I98.8Very high98.5Very high0 Ų039.5 Ų39.50%019%0.188CC..Hα-helixtrans-66.4-33.9177.9-59.3-59.9000112.1V140 G152 K153 F154 I158 L159 Q160 F185 F186 L190 F192V140-I156 HydrophobicContact CB-CD1 4.11Å; V140-I156 HydrophobicContact CG1-CD1 4.08Å; V140-I156 HydrophobicContact CG2-CD1 4.18Å; G152-I156 WeakPolarHBondContact O-CG1 3.23Å; G152-I156 PolarHBondContact O-N 3.16Å; K153-I156 PolarHBondContact O-N 2.99Å; F154-I156 PolarHBondContact O-N 2.94Å; I156-I158 VanDerWaalsContact C-N 3.31Å; I156-I158 PolarHBondContact O-N 3.09Å; I156-L159 HydrophobicContact CD1-CD1 3.93Å; I156-L159 PolarHBondContact O-N 3.19Å; I156-Q160 WeakPolarHBondContact O-CG 3.37Å; I156-Q160 PolarHBondContact O-N 2.69Å; I156-F185 HydrophobicContact CG1-CE1 4.12Å; I156-F185 HydrophobicContact CG1-CZ 4.16Å; I156-F186 HydrophobicContact CD1-CE1 4.09Å; I156-F186 HydrophobicContact CG1-CE1 4.09Å; I156-L190 HydrophobicContact CB-CD1 3.86Å; I156-L190 HydrophobicContact CG1-CD1 4.04Å; I156-L190 HydrophobicContact CG2-CD1 3.68Å; I156-L190 HydrophobicContact CG2-CD2 4.44Å; I156-F192 HydrophobicContact CG2-CE2 3.87Å; I156-F192 HydrophobicContact CG2-CZ 3.91Å
157Q98.6Very high98.5Very high72 Ų7243.5 Ų43.534%0.33621%0.206SC..Hα-helixtrans-63.1-38.5172.5-74.9175.1-41.100111.8K153 F154 L155 Q160 L161K153-Q157 HydrophobicContact CG-CG 4.43Å; K153-Q157 VanDerWaalsContact O-CG 3.26Å; K153-Q157 WeakPolarHBondContact O-CG 3.07Å; K153-Q157 PolarHBondContact O-N 2.75Å; F154-Q157 WeakPolarHBondContact O-CB 3.45Å; F154-Q157 PolarHBondContact O-N 2.91Å; L155-Q157 VanDerWaalsContact C-N 3.31Å; L155-Q157 PolarHBondContact O-N 2.88Å; Q157-Q160 PolarHBondContact O-N 2.86Å; Q157-L161 WeakPolarHBondContact O-CG 3.36Å; Q157-L161 PolarHBondContact O-N 3.29Å
158I98.8Very high98.5Very high0 Ų038.5 Ų38.50%019%0.188CC..Hα-helixtrans-62.5-43.5173.7-68.9168.3000110.7L39 F45 I57 L109 F154 L155 I156 Q160 L161 M162L39-I158 HydrophobicContact CD1-CG2 3.4Å; L39-I158 VanDerWaalsContact CD1-CG2 3.4Å; F45-I158 HydrophobicContact CB-CD1 4.15Å; F45-I158 HydrophobicContact CB-CG1 3.99Å; F45-I158 HydrophobicContact CD1-CG1 4.19Å; F45-I158 HydrophobicContact CG-CG1 4.47Å; I57-I158 HydrophobicContact CD1-CD1 3.78Å; I57-I158 HydrophobicContact CG2-CD1 4.19Å; L109-I158 HydrophobicContact CD1-CG2 3.93Å; L109-I158 HydrophobicContact CD2-CB 3.8Å; L109-I158 HydrophobicContact CD2-CD1 4.18Å; L109-I158 HydrophobicContact CD2-CG2 3.59Å; L109-I158 HydrophobicContact CG-CG2 4.45Å; F154-I158 HydrophobicContact CD1-CD1 3.92Å; F154-I158 HydrophobicContact CE1-CD1 3.83Å; F154-I158 WeakPolarHBondContact O-CG1 3.37Å; F154-I158 PolarHBondContact O-N 3.1Å; L155-I158 WeakPolarHBondContact O-CB 3.2Å; L155-I158 PolarHBondContact O-N 3.43Å; L155-I158 VanDerWaalsContact O-N 3.12Å; I156-I158 VanDerWaalsContact C-N 3.31Å; I156-I158 PolarHBondContact O-N 3.09Å; I158-Q160 VanDerWaalsContact C-N 3.3Å; I158-Q160 PolarHBondContact O-N 2.98Å; I158-L161 WeakPolarHBondContact O-CB 3.22Å; I158-L161 PolarHBondContact O-N 2.92Å; I158-L161 VanDerWaalsContact O-N 3.13Å; I158-M162 HydrophobicContact CG2-CE 4.04Å; I158-M162 HydrophobicContact CG2-CG 4.36Å; I158-M162 HydrophobicContact CG2-SD 4.21Å; I158-M162 WeakPolarHBondContact O-CG 3.41Å; I158-M162 PolarHBondContact O-N 2.92Å
159L98.9Very high98.5Very high0 Ų029 Ų290%015%0.153CC..Hα-helixtrans-57.8-42.8174.1-57.4-172000111.8L109 F124 L135 C137 L155 I156 L161 M162 A163L109-L159 HydrophobicContact CD2-CD2 4.23Å; F124-L159 HydrophobicContact CD1-CD2 3.64Å; F124-L159 HydrophobicContact CE1-CD2 3.89Å; F124-L159 HydrophobicContact CG-CD2 3.99Å; F124-L159 HydrophobicContact CZ-CD2 4.45Å; L135-L159 HydrophobicContact CD1-CB 4.26Å; L135-L159 WeakPolarHBondContact CD1-O 3.08Å; L135-L159 HydrophobicContact CD2-CB 4Å; L135-L159 HydrophobicContact CD2-CD1 4.07Å; L135-L159 HydrophobicContact CD2-CD2 4.3Å; L135-L159 HydrophobicContact CD2-CG 4.35Å; C137-L159 HydrophobicContact CB-CD1 3.74Å; L155-L159 PolarHBondContact O-N 3.44Å; L155-L159 VanDerWaalsContact O-N 3.07Å; I156-L159 HydrophobicContact CD1-CD1 3.93Å; I156-L159 PolarHBondContact O-N 3.19Å; L159-L161 VanDerWaalsContact C-N 3.34Å; L159-L161 PolarHBondContact O-N 3.41Å; L159-M162 HydrophobicContact CD2-CE 3.46Å; L159-M162 VanDerWaalsContact CD2-CE 3.46Å; L159-M162 PolarHBondContact O-N 3.04Å; L159-A163 VanDerWaalsContact O-CB 3.26Å; L159-A163 WeakPolarHBondContact O-CB 3.36Å; L159-A163 PolarHBondContact O-N 3.28Å
160Q98.6Very high98.5Very high38 Ų3826 Ų2618%0.17814%0.14CC..Hα-helixtrans-63.6-37.6176.3-68.8174.740.400112.8I156 Q157 I158 N164 V171I156-Q160 WeakPolarHBondContact O-CG 3.37Å; I156-Q160 PolarHBondContact O-N 2.69Å; Q157-Q160 PolarHBondContact O-N 2.86Å; I158-Q160 VanDerWaalsContact C-N 3.3Å; I158-Q160 PolarHBondContact O-N 2.98Å; Q160-N164 WeakPolarHBondContact O-CB 3.39Å; Q160-N164 PolarHBondContact O-N 2.92Å; Q160-V171 HydrophobicContact CB-CG2 4.46Å; Q160-V171 HydrophobicContact CG-CG2 3.96Å
161L98.1Very high98.5Very high52 Ų5224.5 Ų24.527%0.27212%0.124SC..Hα-helixtrans-64.8-48.3175.1-70.5172.4000111.1F42 F45 Q157 I158 L159 N164 S165F42-L161 HydrophobicContact CD1-CB 4.4Å; F42-L161 HydrophobicContact CD1-CD1 4.41Å; F42-L161 HydrophobicContact CD2-CB 4.29Å; F42-L161 HydrophobicContact CE1-CB 4.07Å; F42-L161 HydrophobicContact CE1-CD2 4.36Å; F42-L161 HydrophobicContact CE2-CB 3.95Å; F42-L161 HydrophobicContact CG-CB 4.48Å; F42-L161 HydrophobicContact CZ-CB 3.81Å; F42-L161 WeakPolarHBondContact CZ-O 3.29Å; F45-L161 HydrophobicContact CD1-CD1 3.83Å; F45-L161 HydrophobicContact CD2-CD1 3.93Å; F45-L161 HydrophobicContact CE1-CD1 3.67Å; F45-L161 HydrophobicContact CE2-CD1 3.76Å; F45-L161 HydrophobicContact CG-CD1 3.97Å; F45-L161 HydrophobicContact CZ-CD1 3.62Å; Q157-L161 WeakPolarHBondContact O-CG 3.36Å; Q157-L161 PolarHBondContact O-N 3.29Å; I158-L161 WeakPolarHBondContact O-CB 3.22Å; I158-L161 PolarHBondContact O-N 2.92Å; I158-L161 VanDerWaalsContact O-N 3.13Å; L159-L161 VanDerWaalsContact C-N 3.34Å; L159-L161 PolarHBondContact O-N 3.41Å; L161-N164 PolarHBondContact O-N 2.85Å; L161-S165 PolarHBondContact O-N 3.39Å; L161-S165 PolarHBondContact O-OG 3.02Å
162M98.6Very high98.5Very high0 Ų024.5 Ų24.50%012%0.124CC..Hα-helixtrans-60.7-49.4178.3-67.7-172.7-55.500110.9P38 L39 F42 F124 L135 I158 L159 N164 S165 T166P38-M162 HydrophobicContact CB-CG 4.32Å; P38-M162 HydrophobicContact CB-SD 3.66Å; L39-M162 HydrophobicContact CB-SD 4.4Å; F42-M162 HydrophobicContact CD2-CG 4.48Å; F42-M162 HydrophobicContact CE2-CG 4.28Å; F124-M162 HydrophobicContact CE1-CE 3.82Å; F124-M162 HydrophobicContact CE2-CE 4.02Å; F124-M162 HydrophobicContact CZ-CE 3.43Å; F124-M162 VanDerWaalsContact CZ-CE 3.43Å; F124-M162 HydrophobicContact CZ-SD 4.26Å; L135-M162 HydrophobicContact CD1-CB 4.2Å; L135-M162 HydrophobicContact CD1-CE 4.41Å; I158-M162 HydrophobicContact CG2-CE 4.04Å; I158-M162 HydrophobicContact CG2-CG 4.36Å; I158-M162 HydrophobicContact CG2-SD 4.21Å; I158-M162 WeakPolarHBondContact O-CG 3.41Å; I158-M162 PolarHBondContact O-N 2.92Å; L159-M162 HydrophobicContact CD2-CE 3.46Å; L159-M162 VanDerWaalsContact CD2-CE 3.46Å; L159-M162 PolarHBondContact O-N 3.04Å; M162-N164 PolarHBondContact O-N 3.48Å; M162-S165 WeakPolarHBondContact CA-OG 3.37Å; M162-S165 PolarHBondContact O-N 3.5Å; M162-S165 VanDerWaalsContact O-N 3.1Å; M162-S165 PolarHBondContact O-OG 2.89Å; M162-T166 PolarHBondContact O-N 2.94Å; M162-T166 PolarHBondContact O-OG1 2.65Å
163A98.6Very high98.5Very high0 Ų024.1 Ų24.10%012%0.12CC..Hα-helixtrans-54.4-40.5175.200000112.2L135 L159 Q167 M168 V171 T218L135-A163 HydrophobicContact CB-CB 3.89Å; L135-A163 HydrophobicContact CD1-CB 4.12Å; L159-A163 VanDerWaalsContact O-CB 3.26Å; L159-A163 WeakPolarHBondContact O-CB 3.36Å; L159-A163 PolarHBondContact O-N 3.28Å; A163-Q167 PolarHBondContact O-N 3.36Å; A163-M168 HydrophobicContact CB-CB 4.02Å; A163-M168 HydrophobicContact CB-CG 4.49Å; A163-M168 WeakPolarHBondContact O-CB 3.3Å; A163-M168 PolarHBondContact O-N 3.1Å; A163-V171 HydrophobicContact CB-CG2 3.6Å; A163-T218 HydrophobicContact CB-CG2 3.77Å
164N97.8Very high98.5Very high61 Ų6122 Ų2233%0.32611%0.114SC..Hα-helixtrans-68.7-44.9176.4-171.2-106.2000112.6Q160 L161 M162 T166 Q167 F220Q160-N164 WeakPolarHBondContact O-CB 3.39Å; Q160-N164 PolarHBondContact O-N 2.92Å; L161-N164 PolarHBondContact O-N 2.85Å; M162-N164 PolarHBondContact O-N 3.48Å; N164-T166 VanDerWaalsContact C-N 3.26Å; N164-T166 PolarHBondContact O-N 2.9Å; N164-Q167 PolarHBondContact O-N 2.85Å; N164-Q167 VanDerWaalsContact O-N 3.15Å; N164-F220 PolarHBondContact ND2-N 3.18Å
165S97.6Very high98.4Very high45 Ų4521.9 Ų21.932%0.31511%0.114SC..Hα-helixtrans-67-25179.355.20000114.4F42 L161 M162 Q167F42-S165 WeakPolarHBondContact CE2-OG 3.45Å; L161-S165 PolarHBondContact O-N 3.39Å; L161-S165 PolarHBondContact O-OG 3.02Å; M162-S165 WeakPolarHBondContact CA-OG 3.37Å; M162-S165 PolarHBondContact O-N 3.5Å; M162-S165 VanDerWaalsContact O-N 3.1Å; M162-S165 PolarHBondContact O-OG 2.89Å; S165-Q167 PolarHBondContact O-NE2 2.82Å; S165-Q167 PolarHBondContact O-OE1 3.38Å
166T98.1Very high98.4Very high10 Ų1022.4 Ų22.46%0.06112%0.116CC..THydrogen-bonded Turntrans-98.210.7175.959.20000112.8A32 L35 F126 M162 N164 M168A32-T166 HydrophobicContact CB-CG2 3.92Å; L35-T166 HydrophobicContact CD1-CG2 3.7Å; F126-T166 HydrophobicContact CE1-CG2 4.18Å; F126-T166 VanDerWaalsContact CE1-OG1 3.24Å; F126-T166 WeakPolarHBondContact CE1-OG1 3Å; F126-T166 HydrophobicContact CZ-CG2 4.09Å; M162-T166 PolarHBondContact O-N 2.94Å; M162-T166 PolarHBondContact O-OG1 2.65Å; N164-T166 VanDerWaalsContact C-N 3.26Å; N164-T166 PolarHBondContact O-N 2.9Å; T166-M168 WeakPolarHBondContact O-CE 3.43Å; T166-M168 PolarHBondContact O-N 3.22Å; T166-M168 WeakPolarHBondContact OG1-CG 3.39Å
167Q97.9Very high98.3Very high85 Ų8525.5 Ų25.540%0.39713%0.13SC..THydrogen-bonded Turntrans57.731176.6-60.377.936.500113.7A163 N164 S165 F220A163-Q167 PolarHBondContact O-N 3.36Å; N164-Q167 PolarHBondContact O-N 2.85Å; N164-Q167 VanDerWaalsContact O-N 3.15Å; S165-Q167 PolarHBondContact O-NE2 2.82Å; S165-Q167 PolarHBondContact O-OE1 3.38Å; Q167-F220 HydrophobicContact CB-CD1 3.89Å; Q167-F220 HydrophobicContact CB-CD2 4.03Å; Q167-F220 HydrophobicContact CB-CE1 3.75Å; Q167-F220 HydrophobicContact CB-CE2 3.87Å; Q167-F220 HydrophobicContact CB-CG 4.04Å; Q167-F220 HydrophobicContact CB-CZ 3.74Å; Q167-F220 HydrophobicContact CG-CD2 3.81Å; Q167-F220 HydrophobicContact CG-CE2 3.73Å; Q167-F220 HydrophobicContact CG-CG 4.25Å; Q167-F220 HydrophobicContact CG-CZ 4.12Å; Q167-F220 VanDerWaalsContact O-CD1 3.29Å; Q167-F220 WeakPolarHBondContact O-CD1 3.32Å; Q167-F220 WeakPolarHBondContact O-CE1 3.3Å
168M98.4Very high98.2Very high0 Ų024.7 Ų24.70%013%0.126CC..  trans-69.9142.7166.9-58.8-63.499.100109.2K28 V29 A32 F126 E133 A163 T166 T218K28-M168 HydrophobicContact CB-CE 3.89Å; V29-M168 HydrophobicContact CG2-CE 4.4Å; V29-M168 HydrophobicContact CG2-SD 4.3Å; A32-M168 HydrophobicContact CB-CE 4.43Å; F126-M168 HydrophobicContact CD1-CG 3.75Å; F126-M168 HydrophobicContact CD1-SD 3.91Å; F126-M168 HydrophobicContact CE1-CG 4.07Å; E133-M168 HydrophobicContact CB-CE 3.84Å; E133-M168 HydrophobicContact CB-SD 3.83Å; E133-M168 HydrophobicContact CG-CE 3.98Å; E133-M168 HydrophobicContact CG-SD 4.29Å; A163-M168 HydrophobicContact CB-CB 4.02Å; A163-M168 HydrophobicContact CB-CG 4.49Å; A163-M168 WeakPolarHBondContact O-CB 3.3Å; A163-M168 PolarHBondContact O-N 3.1Å; T166-M168 WeakPolarHBondContact O-CE 3.43Å; T166-M168 PolarHBondContact O-N 3.22Å; T166-M168 WeakPolarHBondContact OG1-CG 3.39Å; M168-T218 VanDerWaalsContact O-CG2 3.24Å; M168-T218 WeakPolarHBondContact O-CG2 3.45Å; M168-T218 PolarHBondContact O-OG1 3.17Å
169K98.2Very high98.2Very high37 Ų3726.1 Ų26.116%0.16113%0.134CC..SBendtrans-73.1-36-178.6-73.1179.7-175.3172.40112.4D132 E133 R217 T218D132-K169 HydrophobicContact CB-CD 4.07Å; D132-K169 VanDerWaalsContact OD1-CD 3.23Å; D132-K169 WeakPolarHBondContact OD1-CD 3.48Å; D132-K169 IonicContact OD1-NZ 3.34Å; D132-K169 PolarHBondContact OD1-NZ 2.8Å; E133-K169 HydrophobicContact CG-CG 4.29Å; E133-K169 PolarHBondContact O-N 3.19Å; E133-K169 WeakPolarHBondContact OE1-CE 3.38Å; E133-K169 WeakPolarHBondContact OE2-CE 3.4Å; E133-K169 IonicContact OE2-NZ 2.93Å; K169-R217 WeakPolarHBondContact O-CA 3.2Å; K169-T218 PolarHBondContact O-N 3.23Å; K169-T218 PolarHBondContact O-OG1 2.79Å
170K98.3Very high98.1Very high7 Ų732.2 Ų32.23%0.0316%0.162CC..EExtended strand (participates in β ladder)trans-150.3155.5-176.549.9-176.7174.8171.40112.1D132 V134 L135 M172 D195 R216 R217D132-K170 IonicContact OD2-NZ 2.82Å; V134-K170 WeakPolarHBondContact CA-O 3.11Å; V134-K170 HydrophobicContact CB-CG 4.38Å; V134-K170 HydrophobicContact CG1-CD 4.28Å; V134-K170 HydrophobicContact CG1-CG 3.53Å; L135-K170 PolarHBondContact N-O 3.17Å; K170-M172 HydrophobicContact CD-CG 3.87Å; K170-M172 HydrophobicContact CD-SD 3.81Å; K170-M172 WeakPolarHBondContact CE-SD 3.36Å; K170-M172 HydrophobicContact CG-CG 3.9Å; K170-M172 HydrophobicContact CG-SD 4.18Å; K170-D195 WeakPolarHBondContact CD-OD2 3.48Å; K170-D195 VanDerWaalsContact NZ-CG 3.3Å; K170-D195 IonicContact NZ-OD1 3.63Å; K170-D195 PolarHBondContact NZ-OD1 2.88Å; K170-D195 IonicContact NZ-OD2 2.82Å; K170-D195 PolarHBondContact NZ-OD2 2.72Å; K170-R216 VanDerWaalsContact CA-O 3.32Å; K170-R216 WeakPolarHBondContact CA-O 3.21Å; K170-R217 HydrophobicContact CB-CG 4.44Å
171V98.8Very high98.1Very high0 Ų032.5 Ų32.50%018%0.175CC..EExtended strand (participates in β ladder)trans-92.1131.3159.1177.50000107.2L135 Q160 A163 F192 S215 R216L135-V171 HydrophobicContact CB-CG2 4.4Å; L135-V171 HydrophobicContact CD2-CG1 4.31Å; L135-V171 CarbonylContact O-C 3.54Å; L135-V171 VanDerWaalsContact O-CA 3.28Å; L135-V171 WeakPolarHBondContact O-CA 3.26Å; Q160-V171 HydrophobicContact CB-CG2 4.46Å; Q160-V171 HydrophobicContact CG-CG2 3.96Å; A163-V171 HydrophobicContact CB-CG2 3.6Å; V171-F192 HydrophobicContact CB-CE1 4.34Å; V171-F192 HydrophobicContact CB-CZ 4.36Å; V171-F192 HydrophobicContact CG1-CE1 4.14Å; V171-F192 HydrophobicContact CG1-CZ 4.09Å; V171-S215 CarbonylContact O-C 3.58Å; V171-S215 WeakPolarHBondContact O-CA 3.32Å; V171-S215 WeakPolarHBondContact O-CB 3.44Å; V171-R216 PolarHBondContact N-O 3.43Å; V171-R216 PolarHBondContact O-N 3.35Å
172M98.8Very high98.1Very high0 Ų031.1 Ų31.10%017%0.171CC..EExtended strand (participates in β ladder)trans-122.5154.1179.9-67.6-173.57000111.4E129 V134 L135 Y136 C137 K170 D195 I213 L214E129-M172 HydrophobicContact CB-SD 3.99Å; E129-M172 HydrophobicContact CG-CE 3.83Å; E129-M172 HydrophobicContact CG-SD 3.75Å; V134-M172 HydrophobicContact CB-CG 4.42Å; V134-M172 HydrophobicContact CB-SD 4.3Å; V134-M172 HydrophobicContact CG1-CG 4.33Å; V134-M172 HydrophobicContact CG1-SD 3.81Å; V134-M172 HydrophobicContact CG2-SD 4.35Å; L135-M172 PolarHBondContact O-N 2.93Å; Y136-M172 HydrophobicContact CD2-CB 3.73Å; Y136-M172 HydrophobicContact CE2-CB 3.96Å; Y136-M172 HydrophobicContact CG-CB 4.44Å; C137-M172 PolarHBondContact N-O 2.94Å; K170-M172 HydrophobicContact CD-CG 3.87Å; K170-M172 HydrophobicContact CD-SD 3.81Å; K170-M172 WeakPolarHBondContact CE-SD 3.36Å; K170-M172 HydrophobicContact CG-CG 3.9Å; K170-M172 HydrophobicContact CG-SD 4.18Å; M172-D195 HydrophobicContact CE-CB 4.2Å; M172-I213 HydrophobicContact CE-CG2 3.56Å; M172-L214 WeakPolarHBondContact CA-O 3.3Å
173L98.8Very high98.1Very high3 Ų333.6 Ų33.62%0.01618%0.181CC..EExtended strand (participates in β ladder)trans-161.1162.7172.856.991.5000111.1C137 V175 F186 F192 L214C137-L173 HydrophobicContact CB-CB 4.17Å; C137-L173 WeakPolarHBondContact O-CB 3.33Å; L173-V175 HydrophobicContact CD1-CB 4.28Å; L173-F186 HydrophobicContact CD1-CD1 4.27Å; L173-F186 HydrophobicContact CD1-CD2 3.85Å; L173-F186 HydrophobicContact CD1-CE1 4.31Å; L173-F186 HydrophobicContact CD1-CE2 3.9Å; L173-F186 HydrophobicContact CD1-CG 4.05Å; L173-F186 HydrophobicContact CD1-CZ 4.12Å; L173-F186 HydrophobicContact CD2-CD1 3.58Å; L173-F186 HydrophobicContact CD2-CE1 3.28Å; L173-F186 HydrophobicContact CD2-CE2 4.28Å; L173-F186 HydrophobicContact CD2-CG 4.21Å; L173-F186 HydrophobicContact CD2-CZ 3.67Å; L173-F186 HydrophobicContact CG-CE1 4.44Å; L173-F192 HydrophobicContact CD2-CD1 4.27Å; L173-F192 HydrophobicContact CD2-CE1 3.86Å; L173-F192 HydrophobicContact CD2-CZ 4.24Å; L173-F192 HydrophobicContact CG-CE1 4.41Å; L173-L214 HydrophobicContact CD1-CB 4Å; L173-L214 HydrophobicContact CD1-CD1 4.24Å; L173-L214 HydrophobicContact CD1-CG 4.35Å; L173-L214 HydrophobicContact CG-CB 4.41Å; L173-L214 PolarHBondContact N-O 2.88Å; L173-L214 PolarHBondContact O-N 3.12Å
174T98.4Very high98.1Very high42 Ų4238.3 Ų38.326%0.25820%0.203SC..EExtended strand (participates in β ladder)trans-106.1139.3169.4-54.10000109.9W90 Y136 Y211 E212W90-T174 HydrophobicContact CH2-CG2 3.94Å; Y136-T174 PolarHBondContact OH-OG1 3.42Å; T174-Y211 HydrophobicContact CG2-CD2 3.47Å; T174-Y211 VanDerWaalsContact CG2-CD2 3.47Å; T174-Y211 HydrophobicContact CG2-CE2 4.33Å; T174-Y211 HydrophobicContact CG2-CG 3.89Å; T174-E212 WeakPolarHBondContact CA-O 2.79Å
175V98.5Very high98.1Very high8 Ų837.7 Ų37.75%0.04820%0.197CC..EExtended strand (participates in β ladder)trans-132.5136.8173.264.70000110.5L173 A182 Y183 F186 Y211 E212 L214L173-V175 HydrophobicContact CD1-CB 4.28Å; V175-A182 HydrophobicContact CG2-CB 3.95Å; V175-Y183 HydrophobicContact CG1-CD2 3.77Å; V175-Y183 HydrophobicContact CG1-CE2 4.24Å; V175-F186 HydrophobicContact CB-CD2 4.35Å; V175-F186 HydrophobicContact CG2-CD2 4.23Å; V175-Y211 CarbonylContact O-C 3.55Å; V175-Y211 VanDerWaalsContact O-CA 3.25Å; V175-Y211 WeakPolarHBondContact O-CA 3.19Å; V175-Y211 WeakPolarHBondContact O-CB 3.31Å; V175-E212 PolarHBondContact N-O 3.25Å; V175-E212 PolarHBondContact O-N 2.96Å; V175-L214 HydrophobicContact CG1-CD1 3.53Å; V175-L214 HydrophobicContact CG1-CG 3.83Å
176F98.3Very high98.2Very high10 Ų1036.1 Ų36.14%0.04419%0.185CC..EExtended strand (participates in β ladder)trans-69.8131.4170.2-70.2-53.4000110.9M81 M84 Y85 W90 H178 N179 S210M81-F176 HydrophobicContact CE-CD2 4.14Å; M81-F176 HydrophobicContact CE-CE2 4.36Å; M84-F176 HydrophobicContact CB-CD2 3.89Å; M84-F176 HydrophobicContact CB-CE2 4.24Å; Y85-F176 HydrophobicContact CD1-CE2 4.17Å; Y85-F176 AromaticContact CD1-CZ 3.82Å; Y85-F176 HydrophobicContact CD1-CZ 3.82Å; Y85-F176 AromaticContact CD2-CE2 3.86Å; Y85-F176 HydrophobicContact CD2-CE2 3.86Å; Y85-F176 HydrophobicContact CD2-CZ 4.35Å; Y85-F176 HydrophobicContact CE1-CE2 4.28Å; Y85-F176 AromaticContact CE1-CZ 3.97Å; Y85-F176 HydrophobicContact CE1-CZ 3.97Å; Y85-F176 AromaticContact CE2-CE2 3.96Å; Y85-F176 HydrophobicContact CE2-CE2 3.96Å; Y85-F176 HydrophobicContact CE2-CZ 4.47Å; Y85-F176 AromaticContact CG-CE2 3.96Å; Y85-F176 HydrophobicContact CG-CE2 3.96Å; Y85-F176 HydrophobicContact CG-CZ 4.02Å; W90-F176 HydrophobicContact CE3-CE1 4.33Å; W90-F176 HydrophobicContact CE3-CZ 4.1Å; W90-F176 HydrophobicContact CZ3-CZ 4.42Å; F176-H178 VanDerWaalsContact C-N 3.27Å; F176-H178 AromaticContact CD1-CE1 3.77Å; F176-H178 AromaticContact CG-CE1 3.62Å; F176-H178 PolarHBondContact O-N 3.24Å; F176-N179 HydrophobicContact CB-CB 4.15Å; F176-N179 WeakPolarHBondContact O-CB 3.38Å; F176-N179 PolarHBondContact O-N 3.41Å; F176-S210 CarbonylContact C-O 3.51Å
177K96.4Very high98.2Very high65 Ų6539.3 Ų39.328%0.28320%0.195SC..THydrogen-bonded Turntrans-61.9-34.8178.1-70.5-171.8-66.9-166.40111.8N179 Y183 E207 C209 S210 E212K177-N179 PolarHBondContact O-N 2.96Å; K177-Y183 HydrophobicContact CG-CE2 4.32Å; K177-E207 PolarHBondContact NZ-O 2.82Å; K177-C209 WeakPolarHBondContact CE-O 3.34Å; K177-C209 PolarHBondContact NZ-O 2.88Å; K177-S210 PolarHBondContact N-O 3.24Å; K177-E212 HydrophobicContact CD-CG 4.05Å; K177-E212 HydrophobicContact CG-CG 4Å
178H96.6Very high98.1Very high55 Ų5541.2 Ų41.226%0.25520%0.204SC..THydrogen-bonded Turntrans-72.8-12.4175.357.2-76.1000113.8M84 Q87 F176 H180M84-H178 PolarHBondContact O-NE2 3.26Å; Q87-H178 PolarHBondContact OE1-CD2 3.17Å; F176-H178 VanDerWaalsContact C-N 3.27Å; F176-H178 AromaticContact CD1-CE1 3.77Å; F176-H178 AromaticContact CG-CE1 3.62Å; F176-H178 PolarHBondContact O-N 3.24Å; H178-H180 PolarHBondContact O-N 2.89Å; H178-H180 PolarHBondContact O-ND1 2.82Å
179N97.9Very high98.1Very high31 Ų3143.6 Ų43.617%0.16622%0.224CC..  trans-83.865.6169.3-169.3-9.2000110.8M84 F176 K177 G181 A182 Y183M84-N179 HydrophobicContact CE-CB 4.03Å; M84-N179 HydrophobicContact SD-CB 3.68Å; M84-N179 VanDerWaalsContact SD-CG 3.5Å; M84-N179 PolarHBondContact SD-ND2 2.63Å; F176-N179 HydrophobicContact CB-CB 4.15Å; F176-N179 WeakPolarHBondContact O-CB 3.38Å; F176-N179 PolarHBondContact O-N 3.41Å; K177-N179 PolarHBondContact O-N 2.96Å; N179-G181 PolarHBondContact O-N 2.72Å; N179-G181 VanDerWaalsContact O-N 3.1Å; N179-A182 HydrophobicContact CB-CB 4.27Å; N179-A182 VanDerWaalsContact CG-CB 3.43Å; N179-A182 WeakPolarHBondContact ND2-CB 3.32Å; N179-A182 PolarHBondContact O-N 3.41Å; N179-A182 WeakPolarHBondContact OD1-CB 3.36Å; N179-A182 PolarHBondContact OD1-N 3.42Å; N179-Y183 WeakPolarHBondContact O-CB 3.36Å; N179-Y183 PolarHBondContact O-N 3.14Å
180H97.9Very high98.1Very high128 Ų12842.1 Ų42.159%0.59322%0.218SC*.Hα-helixtrans-50.8-39.4-174.4-60.784.7000113.4H178 Y183 Q184H178-H180 PolarHBondContact O-N 2.89Å; H178-H180 PolarHBondContact O-ND1 2.82Å; H180-Y183 PolarHBondContact O-N 2.92Å; H180-Q184 WeakPolarHBondContact O-CB 3.09Å; H180-Q184 WeakPolarHBondContact O-CG 3.41Å; H180-Q184 PolarHBondContact O-N 3.4Å
181G98.1Very high98.1Very high44 Ų4447.9 Ų47.945%0.45425%0.245SC..Hα-helixtrans-65.4-44.4179.200000113.1N179 F185N179-G181 PolarHBondContact O-N 2.72Å; N179-G181 VanDerWaalsContact O-N 3.1Å; G181-F185 WeakPolarHBondContact O-CB 3.35Å; G181-F185 PolarHBondContact O-N 2.82Å; G181-F185 VanDerWaalsContact O-N 3.09Å
182A98.3Very high98.1Very high22 Ų2248 Ų4818%0.18225%0.246CC..Hα-helixtrans-70.5-39.1174.500000111.4V175 N179 F185 F186V175-A182 HydrophobicContact CG2-CB 3.95Å; N179-A182 HydrophobicContact CB-CB 4.27Å; N179-A182 VanDerWaalsContact CG-CB 3.43Å; N179-A182 WeakPolarHBondContact ND2-CB 3.32Å; N179-A182 PolarHBondContact O-N 3.41Å; N179-A182 WeakPolarHBondContact OD1-CB 3.36Å; N179-A182 PolarHBondContact OD1-N 3.42Å; A182-F185 WeakPolarHBondContact O-CB 3.45Å; A182-F185 PolarHBondContact O-N 2.98Å; A182-F186 HydrophobicContact CB-CD2 4.48Å; A182-F186 HydrophobicContact CB-CE2 4.31Å; A182-F186 WeakPolarHBondContact O-CD2 3.43Å; A182-F186 PolarHBondContact O-N 2.95Å
183Y98.1Very high98.1Very high53 Ų5354.8 Ų54.821%0.20828%0.277CS..Hα-helixtrans-59.3-51.7178.9-166.1-91.2000111.8V175 K177 N179 H180 F185 F186 R187 E212V175-Y183 HydrophobicContact CG1-CD2 3.77Å; V175-Y183 HydrophobicContact CG1-CE2 4.24Å; K177-Y183 HydrophobicContact CG-CE2 4.32Å; N179-Y183 WeakPolarHBondContact O-CB 3.36Å; N179-Y183 PolarHBondContact O-N 3.14Å; H180-Y183 PolarHBondContact O-N 2.92Å; Y183-F185 VanDerWaalsContact C-N 3.32Å; Y183-F185 PolarHBondContact O-N 3.29Å; Y183-F186 PolarHBondContact O-N 3.4Å; Y183-R187 HydrophobicContact CD1-CG 3.98Å; Y183-R187 HydrophobicContact CE1-CG 3.7Å; Y183-R187 HydrophobicContact CE2-CG 4.38Å; Y183-R187 HydrophobicContact CG-CG 4.45Å; Y183-R187 WeakPolarHBondContact O-CB 3.39Å; Y183-R187 WeakPolarHBondContact O-CG 3.25Å; Y183-R187 PolarHBondContact O-N 3.28Å; Y183-R187 PolarHBondContact OH-NH1 2.83Å; Y183-E212 HydrophobicContact CE2-CG 4.43Å; Y183-E212 WeakPolarHBondContact CE2-OE2 3.48Å; Y183-E212 PolarHBondContact OH-OE2 3.13Å
184Q98.4Very high98Very high99 Ų9956.9 Ų56.946%0.46329%0.288SS..Hα-helixtrans-62.6-38.6174-71.3173.8-22.600112H180 F186 E188 A189H180-Q184 WeakPolarHBondContact O-CB 3.09Å; H180-Q184 WeakPolarHBondContact O-CG 3.41Å; H180-Q184 PolarHBondContact O-N 3.4Å; Q184-F186 VanDerWaalsContact C-N 3.34Å; Q184-F186 PolarHBondContact O-N 3.23Å; Q184-E188 WeakPolarHBondContact O-CA 3.46Å; Q184-E188 VanDerWaalsContact O-CB 3.29Å; Q184-E188 WeakPolarHBondContact O-CB 3.43Å; Q184-E188 PolarHBondContact O-N 2.75Å; Q184-A189 PolarHBondContact O-N 3.04Å; Q184-A189 VanDerWaalsContact O-N 3.16Å
185F98.7Very high97.9Very high47 Ų4755.2 Ų55.221%0.20628%0.278CS..Iπ-helixtrans-58.2-45.2176.1167.1-103.3000112.1K153 I156 G181 A182 Y183 A189 L190K153-F185 HydrophobicContact CB-CE2 4.01Å; K153-F185 HydrophobicContact CB-CZ 4.49Å; I156-F185 HydrophobicContact CG1-CE1 4.12Å; I156-F185 HydrophobicContact CG1-CZ 4.16Å; G181-F185 WeakPolarHBondContact O-CB 3.35Å; G181-F185 PolarHBondContact O-N 2.82Å; G181-F185 VanDerWaalsContact O-N 3.09Å; A182-F185 WeakPolarHBondContact O-CB 3.45Å; A182-F185 PolarHBondContact O-N 2.98Å; Y183-F185 VanDerWaalsContact C-N 3.32Å; Y183-F185 PolarHBondContact O-N 3.29Å; F185-A189 WeakPolarHBondContact O-CB 3.48Å; F185-A189 PolarHBondContact O-N 3.12Å; F185-L190 HydrophobicContact CD1-CD1 4.02Å; F185-L190 HydrophobicContact CD2-CD1 4.45Å; F185-L190 HydrophobicContact CE1-CD1 3.42Å; F185-L190 VanDerWaalsContact CE1-CD1 3.42Å; F185-L190 HydrophobicContact CE2-CD1 3.91Å; F185-L190 HydrophobicContact CE2-CG 4.3Å; F185-L190 HydrophobicContact CZ-CD1 3.35Å; F185-L190 HydrophobicContact CZ-CG 4.2Å; F185-L190 WeakPolarHBondContact O-CB 3.34Å; F185-L190 PolarHBondContact O-N 3.02Å; F185-L190 VanDerWaalsContact O-N 3.09Å
186F98.8Very high97.7Very high12 Ų1260.3 Ų60.35%0.05331%0.305CS..Iπ-helixtrans-76.1-52.1178.4-68.3-60.8000112.7V140 I156 L173 V175 A182 Y183 Q184 L190 Q191 F192 L214V140-F186 HydrophobicContact CG1-CE1 4.46Å; V140-F186 HydrophobicContact CG1-CZ 3.72Å; I156-F186 HydrophobicContact CD1-CE1 4.09Å; I156-F186 HydrophobicContact CG1-CE1 4.09Å; L173-F186 HydrophobicContact CD1-CD1 4.27Å; L173-F186 HydrophobicContact CD1-CD2 3.85Å; L173-F186 HydrophobicContact CD1-CE1 4.31Å; L173-F186 HydrophobicContact CD1-CE2 3.9Å; L173-F186 HydrophobicContact CD1-CG 4.05Å; L173-F186 HydrophobicContact CD1-CZ 4.12Å; L173-F186 HydrophobicContact CD2-CD1 3.58Å; L173-F186 HydrophobicContact CD2-CE1 3.28Å; L173-F186 HydrophobicContact CD2-CE2 4.28Å; L173-F186 HydrophobicContact CD2-CG 4.21Å; L173-F186 HydrophobicContact CD2-CZ 3.67Å; L173-F186 HydrophobicContact CG-CE1 4.44Å; V175-F186 HydrophobicContact CB-CD2 4.35Å; V175-F186 HydrophobicContact CG2-CD2 4.23Å; A182-F186 HydrophobicContact CB-CD2 4.48Å; A182-F186 HydrophobicContact CB-CE2 4.31Å; A182-F186 WeakPolarHBondContact O-CD2 3.43Å; A182-F186 PolarHBondContact O-N 2.95Å; Y183-F186 PolarHBondContact O-N 3.4Å; Q184-F186 VanDerWaalsContact C-N 3.34Å; Q184-F186 PolarHBondContact O-N 3.23Å; F186-L190 HydrophobicContact CD1-CD1 3.81Å; F186-L190 HydrophobicContact CE1-CD1 4.18Å; F186-L190 CarbonylContact O-C 3.57Å; F186-L190 WeakPolarHBondContact O-CB 3.15Å; F186-Q191 PolarHBondContact O-N 2.88Å; F186-Q191 VanDerWaalsContact O-N 3.1Å; F186-F192 HydrophobicContact CB-CB 4.34Å; F186-F192 HydrophobicContact CD1-CD2 4.45Å; F186-F192 PolarHBondContact O-N 3.11Å; F186-L214 HydrophobicContact CB-CD1 3.64Å; F186-L214 HydrophobicContact CG-CD1 4.44Å
187R98.1Very high97.5Very high77 Ų7761.4 Ų61.429%0.29131%0.313SS..Iπ-helixtrans-69-44.7-174.8-66-63.3-56.9-81.8-2.3112.9Y183 Q191 F192 E212 L214Y183-R187 HydrophobicContact CD1-CG 3.98Å; Y183-R187 HydrophobicContact CE1-CG 3.7Å; Y183-R187 HydrophobicContact CE2-CG 4.38Å; Y183-R187 HydrophobicContact CG-CG 4.45Å; Y183-R187 WeakPolarHBondContact O-CB 3.39Å; Y183-R187 WeakPolarHBondContact O-CG 3.25Å; Y183-R187 PolarHBondContact O-N 3.28Å; Y183-R187 PolarHBondContact OH-NH1 2.83Å; R187-Q191 WeakPolarHBondContact O-CA 3.16Å; R187-Q191 PolarHBondContact O-N 3.05Å; R187-F192 VanDerWaalsContact CD-O 3.31Å; R187-F192 WeakPolarHBondContact CD-O 3.39Å; R187-F192 PolarHBondContact NE-O 3.41Å; R187-E212 IonicContact NH1-OE2 3.63Å; R187-L214 HydrophobicContact CG-CD1 4.07Å
188E97.5Very high97.5Very high125 Ų12558.3 Ų58.358%0.58430%0.3SS*.Iπ-helixtrans-98.5-52.6-172.5-55.8176.5-170.400111.8Q184 L190 Q191Q184-E188 WeakPolarHBondContact O-CA 3.46Å; Q184-E188 VanDerWaalsContact O-CB 3.29Å; Q184-E188 WeakPolarHBondContact O-CB 3.43Å; Q184-E188 PolarHBondContact O-N 2.75Å; E188-L190 PolarHBondContact O-N 2.58Å; E188-Q191 PolarHBondContact O-NE2 2.9Å
189A97.7Very high97.2Very high51 Ų5156.6 Ų56.642%0.42129%0.294SS..Iπ-helixtrans-77.1-26.7-172.900000113.7K153 Q184 F185K153-A189 PolarHBondContact NZ-O 3.48Å; Q184-A189 PolarHBondContact O-N 3.04Å; Q184-A189 VanDerWaalsContact O-N 3.16Å; F185-A189 WeakPolarHBondContact O-CB 3.48Å; F185-A189 PolarHBondContact O-N 3.12Å
190L98.1Very high96.8Very high5 Ų556.9 Ų56.93%0.02630%0.298CS..SBendtrans-114-3.2179.8-71.9173.2000113.8K153 I156 F185 F186 E188 F192 R216K153-L190 HydrophobicContact CB-CD2 4.5Å; K153-L190 HydrophobicContact CD-CD2 4.32Å; K153-L190 HydrophobicContact CG-CD2 3.85Å; I156-L190 HydrophobicContact CB-CD1 3.86Å; I156-L190 HydrophobicContact CG1-CD1 4.04Å; I156-L190 HydrophobicContact CG2-CD1 3.68Å; I156-L190 HydrophobicContact CG2-CD2 4.44Å; F185-L190 HydrophobicContact CD1-CD1 4.02Å; F185-L190 HydrophobicContact CD2-CD1 4.45Å; F185-L190 HydrophobicContact CE1-CD1 3.42Å; F185-L190 VanDerWaalsContact CE1-CD1 3.42Å; F185-L190 HydrophobicContact CE2-CD1 3.91Å; F185-L190 HydrophobicContact CE2-CG 4.3Å; F185-L190 HydrophobicContact CZ-CD1 3.35Å; F185-L190 HydrophobicContact CZ-CG 4.2Å; F185-L190 WeakPolarHBondContact O-CB 3.34Å; F185-L190 PolarHBondContact O-N 3.02Å; F185-L190 VanDerWaalsContact O-N 3.09Å; F186-L190 HydrophobicContact CD1-CD1 3.81Å; F186-L190 HydrophobicContact CE1-CD1 4.18Å; F186-L190 CarbonylContact O-C 3.57Å; F186-L190 WeakPolarHBondContact O-CB 3.15Å; E188-L190 PolarHBondContact O-N 2.58Å; L190-F192 VanDerWaalsContact C-N 3.28Å; L190-F192 HydrophobicContact CB-CD2 3.72Å; L190-F192 HydrophobicContact CB-CE2 3.95Å; L190-F192 HydrophobicContact CD1-CE2 4.28Å; L190-F192 PolarHBondContact O-N 2.83Å; L190-R216 PolarHBondContact O-NH1 3.02Å
191Q98.2Very high96.2Very high128 Ų12855.7 Ų55.760%0.59829%0.294SS*.  trans52.645175.6-58-73.2-62.100112.4F186 R187 E188F186-Q191 PolarHBondContact O-N 2.88Å; F186-Q191 VanDerWaalsContact O-N 3.1Å; R187-Q191 WeakPolarHBondContact O-CA 3.16Å; R187-Q191 PolarHBondContact O-N 3.05Å; E188-Q191 PolarHBondContact O-NE2 2.9Å
192F98.6Very high95.1Very high3 Ų357.5 Ų57.51%0.01330%0.3CS..  trans-78.4145.7165-82.6-114.8000109.5I156 V171 L173 F186 R187 L190 L214 S215 R216I156-F192 HydrophobicContact CG2-CE2 3.87Å; I156-F192 HydrophobicContact CG2-CZ 3.91Å; V171-F192 HydrophobicContact CB-CE1 4.34Å; V171-F192 HydrophobicContact CB-CZ 4.36Å; V171-F192 HydrophobicContact CG1-CE1 4.14Å; V171-F192 HydrophobicContact CG1-CZ 4.09Å; L173-F192 HydrophobicContact CD2-CD1 4.27Å; L173-F192 HydrophobicContact CD2-CE1 3.86Å; L173-F192 HydrophobicContact CD2-CZ 4.24Å; L173-F192 HydrophobicContact CG-CE1 4.41Å; F186-F192 HydrophobicContact CB-CB 4.34Å; F186-F192 HydrophobicContact CD1-CD2 4.45Å; F186-F192 PolarHBondContact O-N 3.11Å; R187-F192 VanDerWaalsContact CD-O 3.31Å; R187-F192 WeakPolarHBondContact CD-O 3.39Å; R187-F192 PolarHBondContact NE-O 3.41Å; L190-F192 VanDerWaalsContact C-N 3.28Å; L190-F192 HydrophobicContact CB-CD2 3.72Å; L190-F192 HydrophobicContact CB-CE2 3.95Å; L190-F192 HydrophobicContact CD1-CE2 4.28Å; L190-F192 PolarHBondContact O-N 2.83Å; F192-L214 HydrophobicContact CB-CB 4.12Å; F192-L214 HydrophobicContact CB-CD1 4.34Å; F192-L214 HydrophobicContact CD1-CB 4.19Å; F192-S215 VanDerWaalsContact CD1-C 3.43Å; F192-R216 HydrophobicContact CD1-CB 3.86Å; F192-R216 HydrophobicContact CD2-CB 4.12Å; F192-R216 HydrophobicContact CE1-CB 3.8Å; F192-R216 HydrophobicContact CE2-CB 4.08Å; F192-R216 HydrophobicContact CG-CB 4.01Å; F192-R216 HydrophobicContact CZ-CB 3.92Å
193E98.1Very high93.4Very high142 Ų14260.1 Ų60.166%0.66433%0.329SS*.EExtended strand (participates in β ladder)trans-104.4161.8177.8-63.4177167.300109.5D195 L214 S215E193-D195 PolarHBondContact O-N 3.44Å; E193-L214 CarbonylContact O-C 3.54Å; E193-L214 WeakPolarHBondContact O-CA 3.48Å; E193-S215 PolarHBondContact N-O 2.52Å; E193-S215 PolarHBondContact O-N 3.07Å
194I97.6Very high91.3Very high47 Ų4762.6 Ų62.624%0.24135%0.353CS..EExtended strand (participates in β ladder)trans-69.8124.3169.6-59.8173.8000106.6S198 M201 E212 L214I194-S198 VanDerWaalsContact CG2-CB 3.44Å; I194-M201 HydrophobicContact CG2-CG 3.9Å; I194-M201 HydrophobicContact CG2-SD 4.14Å; I194-E212 WeakPolarHBondContact CD1-OE1 3.45Å; I194-L214 HydrophobicContact CG1-CD2 4.07Å
195D96.9Very high89.3Confident7 Ų762.9 Ų62.94%0.03737%0.365CS..  trans-72.7149.4178.1-162.1-96.3000110.5K170 M172 E193 S197 S198 M201 I213 S215K170-D195 WeakPolarHBondContact CD-OD2 3.48Å; K170-D195 VanDerWaalsContact NZ-CG 3.3Å; K170-D195 IonicContact NZ-OD1 3.63Å; K170-D195 PolarHBondContact NZ-OD1 2.88Å; K170-D195 IonicContact NZ-OD2 2.82Å; K170-D195 PolarHBondContact NZ-OD2 2.72Å; M172-D195 HydrophobicContact CE-CB 4.2Å; E193-D195 PolarHBondContact O-N 3.44Å; D195-S197 PolarHBondContact O-N 3.35Å; D195-S197 VanDerWaalsContact O-N 3.1Å; D195-S197 PolarHBondContact OD1-N 3.3Å; D195-S197 VanDerWaalsContact OD1-N 3.12Å; D195-S197 PolarHBondContact OD1-OG 3.04Å; D195-S198 WeakPolarHBondContact O-CB 3.47Å; D195-S198 PolarHBondContact O-N 3Å; D195-M201 WeakPolarHBondContact O-CG 3.39Å; D195-I213 HydrophobicContact CB-CB 4.46Å; D195-I213 HydrophobicContact CB-CG2 4.01Å; D195-I213 PolarHBondContact N-O 2.94Å; D195-S215 WeakPolarHBondContact OD2-CB 3.25Å; D195-S215 PolarHBondContact OD2-OG 2.94Å
196D94.6Very high87.5Confident116 Ų11661 Ų6162%0.6236%0.358SS*.THydrogen-bonded Turntrans-59.6-22.5176.7-63.1-40.3000112.7S198D196-S198 VanDerWaalsContact C-N 3.29Å
197S93.9Very high85.8Confident32 Ų3268.6 Ų68.622%0.22439%0.394CS..THydrogen-bonded Turntrans-80.2-6.4174.172.50000114.2C130 D195C130-S197 VanDerWaalsContact SG-CB 3.58Å; D195-S197 PolarHBondContact O-N 3.35Å; D195-S197 VanDerWaalsContact O-N 3.1Å; D195-S197 PolarHBondContact OD1-N 3.3Å; D195-S197 VanDerWaalsContact OD1-N 3.12Å; D195-S197 PolarHBondContact OD1-OG 3.04Å
198S94.9Very high84.8Confident0 Ų071.2 Ų71.20%041%0.414CS..SBendtrans-64.8138.4177.8-172.90000111.1I194 D195 D196 S200 M201 I213I194-S198 VanDerWaalsContact CG2-CB 3.44Å; D195-S198 WeakPolarHBondContact O-CB 3.47Å; D195-S198 PolarHBondContact O-N 3Å; D196-S198 VanDerWaalsContact C-N 3.29Å; S198-S200 PolarHBondContact O-N 2.88Å; S198-S200 VanDerWaalsContact O-N 3.12Å; S198-S200 PolarHBondContact OG-OG 3.48Å; S198-S200 VanDerWaalsContact OG-OG 3.13Å; S198-M201 WeakPolarHBondContact O-CB 3.15Å; S198-M201 PolarHBondContact O-N 3.01Å; S198-I213 PolarHBondContact OG-N 3.34Å
199P91.3Very high84.5Confident20 Ų2066.7 Ų66.713%0.1340%0.395CS..G310 helixtrans-53-37.3178.5-27.634.1000113.5M201 S202 G206 C209 Y211P199-M201 PolarHBondContact O-N 3.4Å; P199-M201 VanDerWaalsContact O-N 3.08Å; P199-S202 VanDerWaalsContact O-CB 3.3Å; P199-S202 WeakPolarHBondContact O-CB 3.12Å; P199-S202 PolarHBondContact O-N 3.31Å; P199-S202 PolarHBondContact O-OG 3.47Å; P199-G206 WeakPolarHBondContact O-CA 3.47Å; P199-C209 HydrophobicContact CB-CB 4.06Å; P199-C209 VanDerWaalsContact CB-SG 3.58Å; P199-C209 HydrophobicContact CG-CB 4.25Å; P199-Y211 HydrophobicContact CG-CE2 3.8Å
200S88.4Confident84.3Confident37 Ų3765.2 Ų65.226%0.25938%0.382SS..G310 helixtrans-58.7-21.9178.3510000114.1S198S198-S200 PolarHBondContact O-N 2.88Å; S198-S200 VanDerWaalsContact O-N 3.12Å; S198-S200 PolarHBondContact OG-OG 3.48Å; S198-S200 VanDerWaalsContact OG-OG 3.13Å
201M87Confident84.2Confident103 Ų10367 Ų6751%0.50739%0.389SS..G310 helixtrans-83.7-10.3176.8-60.5-60.6-71.700113.4I194 D195 S198 P199I194-M201 HydrophobicContact CG2-CG 3.9Å; I194-M201 HydrophobicContact CG2-SD 4.14Å; D195-M201 WeakPolarHBondContact O-CG 3.39Å; S198-M201 WeakPolarHBondContact O-CB 3.15Å; S198-M201 PolarHBondContact O-N 3.01Å; P199-M201 PolarHBondContact O-N 3.4Å; P199-M201 VanDerWaalsContact O-N 3.08Å
202S73.2Confident84.2Confident81 Ų8161.7 Ų61.757%0.56636%0.364SS*.SBendtrans-90.83.5-167.1-56.20000115.3P199 C204P199-S202 VanDerWaalsContact O-CB 3.3Å; P199-S202 WeakPolarHBondContact O-CB 3.12Å; P199-S202 PolarHBondContact O-N 3.31Å; P199-S202 PolarHBondContact O-OG 3.47Å; S202-C204 PolarHBondContact O-N 2.92Å
203G62.6Low84.1Confident77 Ų7762.5 Ų62.579%0.79437%0.368SS*.SBendtrans69.3-13.9167.900000118
204C54.3Low84.1Confident105 Ų10555.8 Ų55.871%0.70934%0.337SS*.SBendtrans-131.8117.9174.4-68.80000109.9S202 G206S202-C204 PolarHBondContact O-N 2.92Å; C204-G206 PolarHBondContact O-N 2.91Å
205C56.6Low84.2Confident106 Ų10654 Ų5472%0.71633%0.328SS*.SBendtrans62.64.1175.9-50.30000116.6E207 D208C205-E207 VanDerWaalsContact C-N 3.34Å; C205-E207 PolarHBondContact O-N 3.15Å; C205-D208 PolarHBondContact O-N 2.82Å
206G60.3Low84.2Confident7 Ų758 Ų587%0.07234%0.343CS..G310 helixtrans-70.6-22.7-178.400000115.7P199 C204 D208P199-G206 WeakPolarHBondContact O-CA 3.47Å; C204-G206 PolarHBondContact O-N 2.91Å; G206-D208 PolarHBondContact O-N 3.21Å
207E63.2Low84.4Confident172 Ų17256.6 Ų56.680%0.80433%0.329SS*.G310 helixtrans-68.5-25.6177.2-71.9-170.1157.800112.4K177 C205K177-E207 PolarHBondContact NZ-O 2.82Å; C205-E207 VanDerWaalsContact C-N 3.34Å; C205-E207 PolarHBondContact O-N 3.15Å
208D78.9Confident84.5Confident132 Ų13255.5 Ų55.571%0.70632%0.321SS*.G310 helixtrans-80-20.6-175.2-63.7-37.7000113.3C205 G206 S210C205-D208 PolarHBondContact O-N 2.82Å; G206-D208 PolarHBondContact O-N 3.21Å; D208-S210 PolarHBondContact O-N 2.79Å
209C89.8Confident84.3Confident29 Ų2963.8 Ų63.820%0.19636%0.357CS..  trans-61.9135.4179.4-66.70000110.8E89 K177 P199 Y211E89-C209 VanDerWaalsContact OE1-CA 3.29Å; E89-C209 WeakPolarHBondContact OE1-CA 3.42Å; K177-C209 WeakPolarHBondContact CE-O 3.34Å; K177-C209 PolarHBondContact NZ-O 2.88Å; P199-C209 HydrophobicContact CB-CB 4.06Å; P199-C209 VanDerWaalsContact CB-SG 3.58Å; P199-C209 HydrophobicContact CG-CB 4.25Å; C209-Y211 HydrophobicContact CB-CD1 4.33Å; C209-Y211 HydrophobicContact CB-CE1 4.17Å; C209-Y211 PolarHBondContact O-N 3.1Å; C209-Y211 VanDerWaalsContact O-N 3.17Å
210S94Very high84.2Confident20 Ų2065 Ų6514%0.1436%0.36CS..SBendtrans-73.1-3.7-178.572.40000114.3S88 E89 F176 K177 D208S88-S210 VanDerWaalsContact CB-OG 3.3Å; S88-S210 WeakPolarHBondContact CB-OG 3.3Å; E89-S210 PolarHBondContact OE1-N 3.21Å; E89-S210 WeakPolarHBondContact OE2-CB 3.33Å; E89-S210 PolarHBondContact OE2-N 2.88Å; E89-S210 PolarHBondContact OE2-OG 3.37Å; F176-S210 CarbonylContact C-O 3.51Å; K177-S210 PolarHBondContact N-O 3.24Å; D208-S210 PolarHBondContact O-N 2.79Å
211Y96.1Very high83.9Confident44 Ų4463.3 Ų63.317%0.17335%0.349CS..EExtended strand (participates in β ladder)trans-130.5163.8-175.268.7-88000112.7W90 T174 V175 P199 C209 I213W90-Y211 AromaticContact CE2-CE1 3.86Å; W90-Y211 AromaticContact CZ2-CD1 3.85Å; W90-Y211 HydrophobicContact CZ2-CD1 3.85Å; W90-Y211 HydrophobicContact CZ2-CD2 4.32Å; W90-Y211 AromaticContact CZ2-CE1 3.6Å; W90-Y211 HydrophobicContact CZ2-CE1 3.6Å; W90-Y211 HydrophobicContact CZ2-CE2 4.07Å; W90-Y211 HydrophobicContact CZ2-CG 4.2Å; W90-Y211 AromaticContact CZ2-CZ 3.71Å; W90-Y211 AromaticContact NE1-CE1 3.78Å; T174-Y211 HydrophobicContact CG2-CD2 3.47Å; T174-Y211 VanDerWaalsContact CG2-CD2 3.47Å; T174-Y211 HydrophobicContact CG2-CE2 4.33Å; T174-Y211 HydrophobicContact CG2-CG 3.89Å; V175-Y211 CarbonylContact O-C 3.55Å; V175-Y211 VanDerWaalsContact O-CA 3.25Å; V175-Y211 WeakPolarHBondContact O-CA 3.19Å; V175-Y211 WeakPolarHBondContact O-CB 3.31Å; P199-Y211 HydrophobicContact CG-CE2 3.8Å; C209-Y211 HydrophobicContact CB-CD1 4.33Å; C209-Y211 HydrophobicContact CB-CE1 4.17Å; C209-Y211 PolarHBondContact O-N 3.1Å; C209-Y211 VanDerWaalsContact O-N 3.17Å; Y211-I213 HydrophobicContact CD2-CG1 4.5Å; Y211-I213 HydrophobicContact CE2-CG1 4.27Å
212E96.9Very high83.8Confident15 Ų1562.2 Ų62.27%0.0735%0.345CS..EExtended strand (participates in β ladder)trans-128.1148.3166.8-69.3-169.8151.300110.4T174 V175 K177 Y183 R187 I194 L214T174-E212 WeakPolarHBondContact CA-O 2.79Å; V175-E212 PolarHBondContact N-O 3.25Å; V175-E212 PolarHBondContact O-N 2.96Å; K177-E212 HydrophobicContact CD-CG 4.05Å; K177-E212 HydrophobicContact CG-CG 4Å; Y183-E212 HydrophobicContact CE2-CG 4.43Å; Y183-E212 WeakPolarHBondContact CE2-OE2 3.48Å; Y183-E212 PolarHBondContact OH-OE2 3.13Å; R187-E212 IonicContact NH1-OE2 3.63Å; I194-E212 WeakPolarHBondContact CD1-OE1 3.45Å; E212-L214 HydrophobicContact CB-CD2 4.11Å
213I97.8Very high83.9Confident21 Ų2161 Ų6111%0.10834%0.337CS..EExtended strand (participates in β ladder)trans-92.2123.3167.7-55.4177.7000107.1M172 D195 S198 Y211M172-I213 HydrophobicContact CE-CG2 3.56Å; D195-I213 HydrophobicContact CB-CB 4.46Å; D195-I213 HydrophobicContact CB-CG2 4.01Å; D195-I213 PolarHBondContact N-O 2.94Å; S198-I213 PolarHBondContact OG-N 3.34Å; Y211-I213 HydrophobicContact CD2-CG1 4.5Å; Y211-I213 HydrophobicContact CE2-CG1 4.27Å
214L98.6Very high84.2Confident0 Ų061.3 Ų61.30%032%0.317CS..EExtended strand (participates in β ladder)trans-111.5147.7178.9-55.8-173.5000110.2M172 L173 V175 F186 R187 F192 E193 I194 E212M172-L214 WeakPolarHBondContact CA-O 3.3Å; L173-L214 HydrophobicContact CD1-CB 4Å; L173-L214 HydrophobicContact CD1-CD1 4.24Å; L173-L214 HydrophobicContact CD1-CG 4.35Å; L173-L214 HydrophobicContact CG-CB 4.41Å; L173-L214 PolarHBondContact N-O 2.88Å; L173-L214 PolarHBondContact O-N 3.12Å; V175-L214 HydrophobicContact CG1-CD1 3.53Å; V175-L214 HydrophobicContact CG1-CG 3.83Å; F186-L214 HydrophobicContact CB-CD1 3.64Å; F186-L214 HydrophobicContact CG-CD1 4.44Å; R187-L214 HydrophobicContact CG-CD1 4.07Å; F192-L214 HydrophobicContact CB-CB 4.12Å; F192-L214 HydrophobicContact CB-CD1 4.34Å; F192-L214 HydrophobicContact CD1-CB 4.19Å; E193-L214 CarbonylContact O-C 3.54Å; E193-L214 WeakPolarHBondContact O-CA 3.48Å; I194-L214 HydrophobicContact CG1-CD2 4.07Å; E212-L214 HydrophobicContact CB-CD2 4.11Å
215S98.6Very high84.3Confident9 Ų962 Ų626%0.06331%0.31CS..EExtended strand (participates in β ladder)trans-142.3161.4171.579.30000113.2V171 F192 E193 D195V171-S215 CarbonylContact O-C 3.58Å; V171-S215 WeakPolarHBondContact O-CA 3.32Å; V171-S215 WeakPolarHBondContact O-CB 3.44Å; F192-S215 VanDerWaalsContact CD1-C 3.43Å; E193-S215 PolarHBondContact N-O 2.52Å; E193-S215 PolarHBondContact O-N 3.07Å; D195-S215 WeakPolarHBondContact OD2-CB 3.25Å; D195-S215 PolarHBondContact OD2-OG 2.94Å
216R98.1Very high84Confident93 Ų9361 Ų6135%0.35130%0.304SS..EExtended strand (participates in β ladder)trans-138119.4169.3-174.8173170.11486.6108.8K170 V171 L190 F192K170-R216 VanDerWaalsContact CA-O 3.32Å; K170-R216 WeakPolarHBondContact CA-O 3.21Å; V171-R216 PolarHBondContact N-O 3.43Å; V171-R216 PolarHBondContact O-N 3.35Å; L190-R216 PolarHBondContact O-NH1 3.02Å; F192-R216 HydrophobicContact CD1-CB 3.86Å; F192-R216 HydrophobicContact CD2-CB 4.12Å; F192-R216 HydrophobicContact CE1-CB 3.8Å; F192-R216 HydrophobicContact CE2-CB 4.08Å; F192-R216 HydrophobicContact CG-CB 4.01Å; F192-R216 HydrophobicContact CZ-CB 3.92Å
217R97.3Very high83.2Confident85 Ų8568.7 Ų68.732%0.32134%0.338SS..EExtended strand (participates in β ladder)trans-64.6144.4177-69.6-178179.1-90.8-3.9110.8K169 K170 D222K169-R217 WeakPolarHBondContact O-CA 3.2Å; K170-R217 HydrophobicContact CB-CG 4.44Å; R217-D222 VanDerWaalsContact CB-OD1 3.25Å; R217-D222 WeakPolarHBondContact CB-OD1 3.29Å
218T96.1Very high82.3Confident10 Ų1064.6 Ų64.66%0.06133%0.333CS..  trans-82.9160.4170.574.60000109A163 M168 K169 F220 G221 D222A163-T218 HydrophobicContact CB-CG2 3.77Å; M168-T218 VanDerWaalsContact O-CG2 3.24Å; M168-T218 WeakPolarHBondContact O-CG2 3.45Å; M168-T218 PolarHBondContact O-OG1 3.17Å; K169-T218 PolarHBondContact O-N 3.23Å; K169-T218 PolarHBondContact O-OG1 2.79Å; T218-F220 PolarHBondContact O-N 2.55Å; T218-F220 VanDerWaalsContact O-N 3.1Å; T218-F220 PolarHBondContact OG1-N 3.47Å; T218-G221 WeakPolarHBondContact O-CA 3.22Å; T218-G221 PolarHBondContact O-N 2.73Å; T218-G221 PolarHBondContact OG1-N 3.23Å; T218-G221 VanDerWaalsContact OG1-N 3.08Å; T218-D222 PolarHBondContact O-N 3.22Å
219K91.3Very high80.1Confident173 Ų17361.6 Ų61.675%0.75233%0.333SS*.Hα-helixtrans-55.6-30.5172.7-63.1-177.2179.2-179.70112.7S223K219-S223 PolarHBondContact O-N 2.66Å
220F88.5Confident77.5Confident46 Ų4662.9 Ų62.920%0.20235%0.352CS..Hα-helixtrans-67.5-47.5173.4175.9-91.2000110.9N164 Q167 T218 D222 S223 Q224N164-F220 PolarHBondContact ND2-N 3.18Å; Q167-F220 HydrophobicContact CB-CD1 3.89Å; Q167-F220 HydrophobicContact CB-CD2 4.03Å; Q167-F220 HydrophobicContact CB-CE1 3.75Å; Q167-F220 HydrophobicContact CB-CE2 3.87Å; Q167-F220 HydrophobicContact CB-CG 4.04Å; Q167-F220 HydrophobicContact CB-CZ 3.74Å; Q167-F220 HydrophobicContact CG-CD2 3.81Å; Q167-F220 HydrophobicContact CG-CE2 3.73Å; Q167-F220 HydrophobicContact CG-CG 4.25Å; Q167-F220 HydrophobicContact CG-CZ 4.12Å; Q167-F220 VanDerWaalsContact O-CD1 3.29Å; Q167-F220 WeakPolarHBondContact O-CD1 3.32Å; Q167-F220 WeakPolarHBondContact O-CE1 3.3Å; T218-F220 PolarHBondContact O-N 2.55Å; T218-F220 VanDerWaalsContact O-N 3.1Å; T218-F220 PolarHBondContact OG1-N 3.47Å; F220-D222 VanDerWaalsContact C-N 3.3Å; F220-D222 PolarHBondContact O-N 3.18Å; F220-S223 PolarHBondContact O-N 2.97Å; F220-S223 PolarHBondContact O-OG 3.32Å; F220-Q224 HydrophobicContact CE1-CG 4.29Å; F220-Q224 HydrophobicContact CZ-CG 4.28Å; F220-Q224 PolarHBondContact O-N 3.45Å
221G83.4Confident75Confident1 Ų171 Ų711%0.0139%0.387CS..Hα-helixtrans-57.3-40.4175.600000113.4T218 S223 Q224 H225T218-G221 WeakPolarHBondContact O-CA 3.22Å; T218-G221 PolarHBondContact O-N 2.73Å; T218-G221 PolarHBondContact OG1-N 3.23Å; T218-G221 VanDerWaalsContact OG1-N 3.08Å; G221-S223 PolarHBondContact O-N 3.26Å; G221-Q224 PolarHBondContact O-N 3.35Å; G221-H225 PolarHBondContact O-N 3.34Å
222D84.8Confident72.3Confident81 Ų8175.3 Ų75.343%0.43342%0.422SS..Hα-helixtrans-65.3-37.8178-63.5-26.5000112.5R217 T218 F220 Q224 H225 S226R217-D222 VanDerWaalsContact CB-OD1 3.25Å; R217-D222 WeakPolarHBondContact CB-OD1 3.29Å; T218-D222 PolarHBondContact O-N 3.22Å; F220-D222 VanDerWaalsContact C-N 3.3Å; F220-D222 PolarHBondContact O-N 3.18Å; D222-Q224 VanDerWaalsContact C-N 3.27Å; D222-Q224 PolarHBondContact O-N 2.95Å; D222-H225 PolarHBondContact O-N 3.16Å; D222-S226 PolarHBondContact O-N 3.46Å; D222-S226 PolarHBondContact O-OG 2.94Å; D222-S226 VanDerWaalsContact O-OG 3.08Å
223S75.6Confident69.2Low56 Ų5678 Ų7839%0.39245%0.453SS..Hα-helixtrans-66.4-26.8178.873.10000113.4K219 F220 G221 S226 H227K219-S223 PolarHBondContact O-N 2.66Å; F220-S223 PolarHBondContact O-N 2.97Å; F220-S223 PolarHBondContact O-OG 3.32Å; G221-S223 PolarHBondContact O-N 3.26Å; S223-S226 PolarHBondContact O-OG 3.08Å; S223-S226 VanDerWaalsContact O-OG 3.07Å; S223-H227 PolarHBondContact O-CD2 2.69Å; S223-H227 VanDerWaalsContact O-CD2 3.25Å
224Q67.1Low66.1Low83 Ų8380.3 Ų80.339%0.38848%0.483SS..Hα-helixtrans-83.9-32.4177.3-65.7-147.9-2200112.9F220 G221 D222 S226 H227 A228F220-Q224 HydrophobicContact CE1-CG 4.29Å; F220-Q224 HydrophobicContact CZ-CG 4.28Å; F220-Q224 PolarHBondContact O-N 3.45Å; G221-Q224 PolarHBondContact O-N 3.35Å; D222-Q224 VanDerWaalsContact C-N 3.27Å; D222-Q224 PolarHBondContact O-N 2.95Å; Q224-S226 VanDerWaalsContact C-N 3.32Å; Q224-S226 PolarHBondContact O-N 3.01Å; Q224-H227 PolarHBondContact O-N 3.47Å; Q224-A228 PolarHBondContact O-N 3.23Å
225H57.5Low62.9Low119 Ų11986.8 Ų86.855%0.55153%0.527SS*.Hα-helixtrans-66.3-35.9179.1-166-78000112.2G221 D222 H227 A228 G229G221-H225 PolarHBondContact O-N 3.34Å; D222-H225 PolarHBondContact O-N 3.16Å; H225-H227 PolarHBondContact O-N 3.42Å; H225-A228 PolarHBondContact O-N 3.44Å; H225-A228 VanDerWaalsContact O-N 3.14Å; H225-G229 PolarHBondContact O-N 2.83Å
226S49.3Very low59.8Low84 Ų8492 Ų9259%0.58756%0.562SS**Hα-helixtrans-64.8-24.6176.734.70000113.3D222 S223 Q224D222-S226 PolarHBondContact O-N 3.46Å; D222-S226 PolarHBondContact O-OG 2.94Å; D222-S226 VanDerWaalsContact O-OG 3.08Å; S223-S226 PolarHBondContact O-OG 3.08Å; S223-S226 VanDerWaalsContact O-OG 3.07Å; Q224-S226 VanDerWaalsContact C-N 3.32Å; Q224-S226 PolarHBondContact O-N 3.01Å
227H43.5Very low56.9Low169 Ų169100.5 Ų100.578%0.78261%0.605SS**Hα-helixtrans-84.1-19173.6-74.2-60.6000114.2S223 Q224 H225S223-H227 PolarHBondContact O-CD2 2.69Å; S223-H227 VanDerWaalsContact O-CD2 3.25Å; Q224-H227 PolarHBondContact O-N 3.47Å; H225-H227 PolarHBondContact O-N 3.42Å
228A44.9Very low54.9Low86 Ų86101.3 Ų101.371%0.71162%0.619SS**Hα-helixtrans-85-17176.700000113.6Q224 H225 G230Q224-A228 PolarHBondContact O-N 3.23Å; H225-A228 PolarHBondContact O-N 3.44Å; H225-A228 VanDerWaalsContact O-N 3.14Å; A228-G230 VanDerWaalsContact C-N 3.34Å; A228-G230 PolarHBondContact O-N 2.9Å
229G33.6Very low52.7Low69 Ų69106.1 Ų106.171%0.71165%0.649SS**SBendtrans-84.18-177.700000116.3H225H225-G229 PolarHBondContact O-N 2.83Å
230G34.7Very low50.6Low56 Ų56102.3 Ų102.358%0.57764%0.643SS**  trans-111.557.1-167.100000116.4A228A228-G230 VanDerWaalsContact C-N 3.34Å; A228-G230 PolarHBondContact O-N 2.9Å
231H42Very low48.3Very low190 Ų190105.6 Ų105.688%0.8867%0.669SS**  trans-173.592.7148.8-112.968.8000112.3
232C38.2Very low46.1Very low136 Ų136112.2 Ų112.292%0.91971%0.71SS**  trans-148.961.6144.9-148.80000108G234C232-G234 PolarHBondContact O-N 3.01Å
233G31.7Very low43.6Very low70 Ų70114.3 Ų114.372%0.72273%0.728SS**  trans-76.7106.2166.700000108.2C235G233-C235 PolarHBondContact O-N 3.44Å
234G32.7Very low41.3Very low71 Ų71118.4 Ų118.473%0.73275%0.752SS**  trans-57.1124.5175.700000111.3C232 C236C232-G234 PolarHBondContact O-N 3.01Å; G234-C236 PolarHBondContact O-N 3.42Å
235C33.1Very low39.3Very low136 Ų136121.2 Ų121.292%0.91978%0.78SS**  trans-84.7100.6158.9-74.70000107.7G233G233-C235 PolarHBondContact O-N 3.44Å
236C32.4Very low37.8Very low119 Ų119121.3 Ų121.380%0.80480%0.8SS**  trans-91.6106.3158.4-68.40000108G234G234-C236 PolarHBondContact O-N 3.42Å
237H37.2Very low36.7Very low270 Ų270124.7 Ų124.7100%1.2582%0.819SS**  trans-1400149.6-87.7-3.6000107.7

Retrieved 237 of 237 residues in 45.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).