A0A077YXY7_TRITR Loading...

Triokinase/FMN cyclase

Catalyzes both the phosphorylation of dihydroxyacetone and of glyceraldehyde, and the splitting of ribonucleoside diphosphate-X compounds among which FAD is the best substrate. Represses IFIH1-mediated cellular antiviral response.

AlphaFold DB , UniProt , Accession A0A077YXY7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 593 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.3Very low70.9Confident239 Ų239138.2 Ų138.2100%1.17768%0.68SS**  0107.80-70.5-178.6-142.500105.9Q3M1-Q3 PolarHBondContact O-N 2.99Å; M1-Q3 VanDerWaalsContact O-N 3.11Å
2E47.5Very low72.9Confident193 Ų193137.8 Ų137.890%0.90268%0.683SS**  trans-58.9115.7161.9-81.4174157.300105.9T4E2-T4 VanDerWaalsContact C-N 3.31Å; E2-T4 PolarHBondContact O-N 2.81Å
3Q49.4Very low74.4Confident187 Ų187136 Ų13687%0.87467%0.668SS**  trans-59.9105.2166-80.8178.5-9.400105.2M1 A5M1-Q3 PolarHBondContact O-N 2.99Å; M1-Q3 VanDerWaalsContact O-N 3.11Å; Q3-A5 PolarHBondContact O-N 2.64Å
4T55.5Low75.6Confident131 Ų131129.2 Ų129.280%0.80464%0.638SS**  trans-51.1113.4165.639.80000106.3E2 F6E2-T4 VanDerWaalsContact C-N 3.31Å; E2-T4 PolarHBondContact O-N 2.81Å; T4-F6 PolarHBondContact O-N 2.92Å
5A64.9Low76.6Confident54 Ų54130.3 Ų130.345%0.44665%0.648SS.*  trans-54.2112.8-177.700000108.1Q3 T7Q3-A5 PolarHBondContact O-N 2.64Å; A5-T7 PolarHBondContact O-N 2.73Å
6F74.8Confident77.7Confident153 Ų153127.2 Ų127.267%0.67163%0.631SS**  trans-54.5125.7179.6170.6-95.4000108.7T4 R8T4-F6 PolarHBondContact O-N 2.92Å; F6-R8 HydrophobicContact CE1-CG 3.73Å; F6-R8 HydrophobicContact CZ-CG 3.74Å
7T82.7Confident78.7Confident40 Ų40120.6 Ų120.625%0.24560%0.6CS.*  trans-133.1135.2178.2-1680000110.5A5 K9 I11 V14 G209A5-T7 PolarHBondContact O-N 2.73Å; T7-K9 PolarHBondContact O-N 3.42Å; T7-K9 WeakPolarHBondContact OG1-CG 3.44Å; T7-I11 HydrophobicContact CG2-CD1 4.02Å; T7-I11 HydrophobicContact CG2-CG1 3.97Å; T7-V14 HydrophobicContact CG2-CG2 4.44Å; T7-G209 PolarHBondContact OG1-N 3.01Å
8R85.5Confident79.7Confident223 Ų223114.3 Ų114.384%0.84257%0.569SS**  trans-9238.1170.3-66.1-168.3174.9-158.5-0.7111.2F6F6-R8 HydrophobicContact CE1-CG 3.73Å; F6-R8 HydrophobicContact CZ-CG 3.74Å
9K91.9Very high80.6Confident54 Ų54111.7 Ų111.724%0.23556%0.557CS.*SBendtrans-117.9143.5177.7-58.5-62.3-172.6174.40108.9T7 I11 S206 D315T7-K9 PolarHBondContact O-N 3.42Å; T7-K9 WeakPolarHBondContact OG1-CG 3.44Å; K9-I11 HydrophobicContact CB-CD1 4.11Å; K9-I11 HydrophobicContact CB-CG1 4.09Å; K9-I11 HydrophobicContact CB-CG2 4.23Å; K9-I11 PolarHBondContact O-N 3.36Å; K9-S206 WeakPolarHBondContact CE-O 3.44Å; K9-S206 PolarHBondContact NZ-O 2.9Å; K9-D315 IonicContact NZ-OD1 3.75Å; K9-D315 PolarHBondContact NZ-OD1 3.21Å; K9-D315 IonicContact NZ-OD2 3.62Å; K9-D315 PolarHBondContact NZ-OD2 3.4Å
10L94.8Very high81.4Confident190 Ų190108.9 Ų108.9100%0.99554%0.544SS*.SBendtrans-79.272.5176.3-63.7175.1000109.9
11I94.5Very high82.2Confident56 Ų56106.3 Ų106.329%0.28754%0.537SS..  trans-132.6153.4-178.260.9179.4000110.5T7 K9 V14 C17 P208T7-I11 HydrophobicContact CG2-CD1 4.02Å; T7-I11 HydrophobicContact CG2-CG1 3.97Å; K9-I11 HydrophobicContact CB-CD1 4.11Å; K9-I11 HydrophobicContact CB-CG1 4.09Å; K9-I11 HydrophobicContact CB-CG2 4.23Å; K9-I11 PolarHBondContact O-N 3.36Å; I11-V14 HydrophobicContact CD1-CG2 4.2Å; I11-C17 HydrophobicContact CB-CB 4.25Å; I11-C17 HydrophobicContact CD1-CB 4.19Å; I11-C17 HydrophobicContact CG2-CB 4.12Å; I11-P208 HydrophobicContact CD1-CB 3.63Å; I11-P208 HydrophobicContact CD1-CG 4.2Å
12N94.5Very high85Confident134 Ų13495.2 Ų95.272%0.71748%0.482SS*.SBendtrans-73.4-53.7178.6-61-47.5000111.3D20N12-D20 PolarHBondContact ND2-OD2 3.37Å
13K92.9Very high87.4Confident114 Ų11489.6 Ų89.650%0.49646%0.458SS..  trans-142.5150.1174.9-56.9-169.5-157.8126.50110.6E16 C17K13-E16 HydrophobicContact CB-CB 4.27Å; K13-E16 HydrophobicContact CB-CG 4.47Å; K13-E16 WeakPolarHBondContact CD-OE2 3.33Å; K13-E16 IonicContact NZ-OE1 2.7Å; K13-E16 PolarHBondContact NZ-OE1 3.31Å; K13-E16 IonicContact NZ-OE2 3.33Å; K13-E16 PolarHBondContact NZ-OE2 3.3Å; K13-C17 WeakPolarHBondContact O-CB 3.46Å; K13-C17 PolarHBondContact O-N 3.34Å; K13-C17 VanDerWaalsContact O-N 3.15Å
14V90.8Very high89.6Confident41 Ų4182.5 Ų82.525%0.24844%0.435CS..THydrogen-bonded Turntrans-63.1-47.1-179.6174.70000111.4T7 I11 E16 C17 P208T7-V14 HydrophobicContact CG2-CG2 4.44Å; I11-V14 HydrophobicContact CD1-CG2 4.2Å; V14-E16 VanDerWaalsContact C-N 3.34Å; V14-E16 PolarHBondContact O-N 2.9Å; V14-C17 PolarHBondContact O-N 3.12Å; V14-C17 PolarHBondContact O-SG 3.22Å; V14-P208 HydrophobicContact CG1-CB 4.03Å
15D90.7Very high91.6Very high146 Ų14676.7 Ų76.778%0.78140%0.399SS*.THydrogen-bonded Turntrans-76.1-21.7-173.9-59.5-36.9000113.8
16E93.9Very high93.1Very high80 Ų8074.9 Ų74.937%0.37438%0.384SS..THydrogen-bonded Turntrans-98-7.4-179.4-64169.7-16900112.3K13 V14 V18 D19 D20K13-E16 HydrophobicContact CB-CB 4.27Å; K13-E16 HydrophobicContact CB-CG 4.47Å; K13-E16 WeakPolarHBondContact CD-OE2 3.33Å; K13-E16 IonicContact NZ-OE1 2.7Å; K13-E16 PolarHBondContact NZ-OE1 3.31Å; K13-E16 IonicContact NZ-OE2 3.33Å; K13-E16 PolarHBondContact NZ-OE2 3.3Å; V14-E16 VanDerWaalsContact C-N 3.34Å; V14-E16 PolarHBondContact O-N 2.9Å; E16-V18 VanDerWaalsContact C-N 3.27Å; E16-V18 PolarHBondContact O-N 3.43Å; E16-V18 VanDerWaalsContact O-N 3.15Å; E16-D19 PolarHBondContact O-N 3Å; E16-D20 PolarHBondContact O-N 2.93Å
17C94.8Very high94Very high15 Ų1575.6 Ų75.610%0.10139%0.387CS..Hα-helixtrans-61.6-31-169.168.80000114.4I11 K13 V14 S21I11-C17 HydrophobicContact CB-CB 4.25Å; I11-C17 HydrophobicContact CD1-CB 4.19Å; I11-C17 HydrophobicContact CG2-CB 4.12Å; K13-C17 WeakPolarHBondContact O-CB 3.46Å; K13-C17 PolarHBondContact O-N 3.34Å; K13-C17 VanDerWaalsContact O-N 3.15Å; V14-C17 PolarHBondContact O-N 3.12Å; V14-C17 PolarHBondContact O-SG 3.22Å; C17-S21 WeakPolarHBondContact O-CB 3.21Å; C17-S21 PolarHBondContact O-N 2.96Å
18V96.5Very high94.6Very high8 Ų881.6 Ų81.65%0.04841%0.406CS..Hα-helixtrans-68.5-43.7175.11740000110.3E16 S21 L22 S63 V86E16-V18 VanDerWaalsContact C-N 3.27Å; E16-V18 PolarHBondContact O-N 3.43Å; E16-V18 VanDerWaalsContact O-N 3.15Å; V18-S21 WeakPolarHBondContact O-CB 3.42Å; V18-S21 PolarHBondContact O-N 2.81Å; V18-L22 HydrophobicContact CG1-CD1 4.06Å; V18-L22 HydrophobicContact CG1-CG 4.47Å; V18-L22 VanDerWaalsContact O-CG 3.28Å; V18-L22 WeakPolarHBondContact O-CG 3.29Å; V18-L22 PolarHBondContact O-N 3.29Å; V18-S63 WeakPolarHBondContact CG1-OG 3.37Å; V18-V86 HydrophobicContact CG2-CG2 3.91Å
19D97.7Very high94.8Very high65 Ų6572 Ų7235%0.34837%0.373SS..Hα-helixtrans-67.3-43.3-179.9-61.2-48.5000110.8E16 S21 L22 L23 R39E16-D19 PolarHBondContact O-N 3Å; D19-S21 VanDerWaalsContact C-N 3.32Å; D19-S21 PolarHBondContact O-N 3.23Å; D19-L22 PolarHBondContact O-N 3.38Å; D19-L23 VanDerWaalsContact O-CB 3.3Å; D19-L23 WeakPolarHBondContact O-CB 3.33Å; D19-L23 PolarHBondContact O-N 3.2Å; D19-R39 WeakPolarHBondContact OD1-CG 3.29Å; D19-R39 IonicContact OD1-CZ 2.67Å; D19-R39 IonicContact OD1-NE 2.67Å; D19-R39 PolarHBondContact OD1-NE 2.86Å; D19-R39 IonicContact OD1-NH2 3.38Å; D19-R39 PolarHBondContact OD1-NH2 3.46Å; D19-R39 IonicContact OD2-CZ 2.99Å; D19-R39 IonicContact OD2-NE 2.73Å; D19-R39 IonicContact OD2-NH2 2.64Å; D19-R39 PolarHBondContact OD2-NH2 3.06Å
20D97.4Very high94.7Very high55 Ų5574.2 Ų74.229%0.29440%0.395SS..Hα-helixtrans-58.2-42.7172.1-77.8-10000111.8N12 E16 L23 G24N12-D20 PolarHBondContact ND2-OD2 3.37Å; E16-D20 PolarHBondContact O-N 2.93Å; D20-L23 PolarHBondContact O-N 3.45Å; D20-G24 PolarHBondContact O-N 3.49Å
21S97.2Very high94.5Very high55 Ų5566.7 Ų66.739%0.38536%0.357SS..Hα-helixtrans-63-48178.3-179.60000111.9C17 V18 D19 G24 C25C17-S21 WeakPolarHBondContact O-CB 3.21Å; C17-S21 PolarHBondContact O-N 2.96Å; V18-S21 WeakPolarHBondContact O-CB 3.42Å; V18-S21 PolarHBondContact O-N 2.81Å; D19-S21 VanDerWaalsContact C-N 3.32Å; D19-S21 PolarHBondContact O-N 3.23Å; S21-G24 PolarHBondContact O-N 3.06Å; S21-C25 PolarHBondContact O-N 3.23Å
22L98.1Very high94.6Very high5 Ų564.3 Ų64.33%0.02635%0.345CS..Hα-helixtrans-64.9-41178.2-64.9169.6000111.6V18 D19 C25 A26 L34 R39 L41 A83V18-L22 HydrophobicContact CG1-CD1 4.06Å; V18-L22 HydrophobicContact CG1-CG 4.47Å; V18-L22 VanDerWaalsContact O-CG 3.28Å; V18-L22 WeakPolarHBondContact O-CG 3.29Å; V18-L22 PolarHBondContact O-N 3.29Å; D19-L22 PolarHBondContact O-N 3.38Å; L22-C25 PolarHBondContact O-N 2.85Å; L22-A26 PolarHBondContact O-N 3.16Å; L22-L34 HydrophobicContact CB-CD1 4.13Å; L22-R39 HydrophobicContact CD1-CB 3.6Å; L22-R39 HydrophobicContact CD1-CG 3.75Å; L22-L41 HydrophobicContact CD2-CD1 3.67Å; L22-L41 HydrophobicContact CD2-CG 3.93Å; L22-A83 HydrophobicContact CD1-CB 3.89Å; L22-A83 HydrophobicContact CD2-CB 3.85Å; L22-A83 HydrophobicContact CG-CB 4.39Å
23L97Very high94.7Very high76 Ų7659.5 Ų59.540%0.39832%0.324SS..Hα-helixtrans-62.1-44.8175.4-171.165000110.9D19 D20 C25 A26 F27 L34D19-L23 VanDerWaalsContact O-CB 3.3Å; D19-L23 WeakPolarHBondContact O-CB 3.33Å; D19-L23 PolarHBondContact O-N 3.2Å; D20-L23 PolarHBondContact O-N 3.45Å; L23-C25 VanDerWaalsContact C-N 3.35Å; L23-C25 PolarHBondContact O-N 3.36Å; L23-A26 PolarHBondContact O-N 3.19Å; L23-F27 HydrophobicContact CD1-CD2 3.73Å; L23-F27 HydrophobicContact CD1-CE2 3.39Å; L23-F27 HydrophobicContact CD1-CZ 4.38Å; L23-F27 HydrophobicContact CG-CD2 3.97Å; L23-F27 HydrophobicContact CG-CE2 3.93Å; L23-F27 WeakPolarHBondContact O-CB 3.29Å; L23-F27 VanDerWaalsContact O-CD2 3.26Å; L23-F27 WeakPolarHBondContact O-CD2 3.06Å; L23-F27 PolarHBondContact O-N 2.7Å; L23-L34 HydrophobicContact CD1-CD2 4.32Å
24G96.7Very high95Very high38 Ų3857.1 Ų57.139%0.39232%0.316SS..Hα-helixtrans-59.8-42.3174.100000112.8D20 S21 F27 R28D20-G24 PolarHBondContact O-N 3.49Å; S21-G24 PolarHBondContact O-N 3.06Å; G24-F27 PolarHBondContact O-N 2.93Å; G24-R28 WeakPolarHBondContact O-CG 3.35Å; G24-R28 PolarHBondContact O-N 3.49Å
25C95.8Very high95.3Very high9 Ų957.1 Ų57.16%0.06132%0.315CS..Hα-helixtrans-62.3-45.1175.2-177.80000112S21 L22 L23 R28 S29 L41 D71S21-C25 PolarHBondContact O-N 3.23Å; L22-C25 PolarHBondContact O-N 2.85Å; L23-C25 VanDerWaalsContact C-N 3.35Å; L23-C25 PolarHBondContact O-N 3.36Å; C25-R28 WeakPolarHBondContact O-CG 3.37Å; C25-S29 WeakPolarHBondContact O-CB 3.29Å; C25-S29 PolarHBondContact O-N 3.22Å; C25-L41 HydrophobicContact CB-CD1 3.98Å; C25-D71 PolarHBondContact SG-OD1 3.37Å
26A96.4Very high95.5Very high15 Ų1557.5 Ų57.512%0.12431%0.312CS..Hα-helixtrans-64.7-42.4176.100000112.2L22 L23 S29 L34 L41L22-A26 PolarHBondContact O-N 3.16Å; L23-A26 PolarHBondContact O-N 3.19Å; A26-S29 PolarHBondContact O-N 3.43Å; A26-L34 HydrophobicContact CB-CB 4.12Å; A26-L41 HydrophobicContact CB-CD2 3.99Å
27F95.4Very high95.6Very high169 Ų16960.4 Ų60.474%0.74133%0.33SS*.Hα-helixtrans-68.8-35.6-177.4-92.2-120.2000113.5L23 G24 S29L23-F27 HydrophobicContact CD1-CD2 3.73Å; L23-F27 HydrophobicContact CD1-CE2 3.39Å; L23-F27 HydrophobicContact CD1-CZ 4.38Å; L23-F27 HydrophobicContact CG-CD2 3.97Å; L23-F27 HydrophobicContact CG-CE2 3.93Å; L23-F27 WeakPolarHBondContact O-CB 3.29Å; L23-F27 VanDerWaalsContact O-CD2 3.26Å; L23-F27 WeakPolarHBondContact O-CD2 3.06Å; L23-F27 PolarHBondContact O-N 2.7Å; G24-F27 PolarHBondContact O-N 2.93Å; F27-S29 VanDerWaalsContact C-N 3.3Å
28R94.2Very high95.8Very high166 Ų16664 Ų6463%0.62634%0.342SS*.Hα-helixtrans-79.7-11.4178.774.9-176.7-179.3142.1-2.4113.6G24 C25 D71G24-R28 WeakPolarHBondContact O-CG 3.35Å; G24-R28 PolarHBondContact O-N 3.49Å; C25-R28 WeakPolarHBondContact O-CG 3.37Å; R28-D71 IonicContact CZ-OD1 3.44Å; R28-D71 IonicContact CZ-OD2 3.5Å; R28-D71 IonicContact NH2-OD1 3.95Å; R28-D71 PolarHBondContact NH2-OD1 3.11Å; R28-D71 IonicContact NH2-OD2 2.72Å; R28-D71 PolarHBondContact NH2-OD2 2.85Å
29S90.3Very high95.9Very high22 Ų2265.5 Ų65.515%0.15435%0.347CS..  trans-104.3137.1-172.6-177.20000112.6C25 A26 F27 T31 V32C25-S29 WeakPolarHBondContact O-CB 3.29Å; C25-S29 PolarHBondContact O-N 3.22Å; A26-S29 PolarHBondContact O-N 3.43Å; F27-S29 VanDerWaalsContact C-N 3.3Å; S29-T31 VanDerWaalsContact C-N 3.35Å; S29-T31 PolarHBondContact OG-N 3.39Å; S29-T31 VanDerWaalsContact OG-N 3.11Å; S29-T31 PolarHBondContact OG-OG1 3.18Å; S29-V32 PolarHBondContact OG-N 3.05Å
30S89.1Confident95.9Very high99 Ų9962.4 Ų62.469%0.69233%0.33SS*.SBendtrans-85.2-9.6169.9570000113R44S30-R44 WeakPolarHBondContact O-CD 3.22Å
31T91.1Very high96Very high33 Ų3359.9 Ų59.920%0.20232%0.316CS..SBendtrans-117-11.5-170.856.70000114.4S29 R44 C341S29-T31 VanDerWaalsContact C-N 3.35Å; S29-T31 PolarHBondContact OG-N 3.39Å; S29-T31 VanDerWaalsContact OG-N 3.11Å; S29-T31 PolarHBondContact OG-OG1 3.18Å; T31-R44 PolarHBondContact O-N 3.4Å; T31-C341 VanDerWaalsContact CG2-SG 3.59Å
32V96Very high96Very high6 Ų657.8 Ų57.84%0.03630%0.301CS..EExtended strand (participates in β ladder)trans-120.1144.9-176.2-1760000111S29 L41 I42 R44 V73S29-V32 PolarHBondContact OG-N 3.05Å; V32-L41 HydrophobicContact CG1-CB 3.7Å; V32-L41 HydrophobicContact CG1-CD1 4.47Å; V32-L41 HydrophobicContact CG1-CD2 3.74Å; V32-L41 HydrophobicContact CG1-CG 4.15Å; V32-I42 CarbonylContact C-O 3.56Å; V32-I42 WeakPolarHBondContact CA-O 3.43Å; V32-R44 VanDerWaalsContact C-CG 3.46Å; V32-R44 WeakPolarHBondContact O-CD 3.32Å; V32-V73 HydrophobicContact CG1-CB 4.4Å; V32-V73 HydrophobicContact CG1-CG1 4.22Å; V32-V73 HydrophobicContact CG2-CB 3.99Å; V32-V73 HydrophobicContact CG2-CG1 3.99Å; V32-V73 WeakPolarHBondContact CG2-O 3.44Å
33A97.4Very high96Very high33 Ų3358 Ų5827%0.27330%0.301SS..EExtended strand (participates in β ladder)trans-126.6157.6170.500000110.4L41 I42 R44A33-L41 CarbonylContact O-C 3.58Å; A33-L41 WeakPolarHBondContact O-CA 3.48Å; A33-I42 HydrophobicContact CB-CG2 4.32Å; A33-I42 PolarHBondContact N-O 3.02Å; A33-I42 PolarHBondContact O-N 2.88Å; A33-R44 HydrophobicContact CB-CG 3.86Å
34L98.2Very high96Very high64 Ų6462 Ų6234%0.33531%0.311SS..EExtended strand (participates in β ladder)trans-91.3128.8169.6-176.662.4000109L22 L23 A26 Y38 L41L22-L34 HydrophobicContact CB-CD1 4.13Å; L23-L34 HydrophobicContact CD1-CD2 4.32Å; A26-L34 HydrophobicContact CB-CB 4.12Å; L34-Y38 WeakPolarHBondContact CD1-O 3.35Å; L34-L41 HydrophobicContact CB-CD2 4.36Å; L34-L41 HydrophobicContact CD1-CD2 4.22Å
35L97.8Very high96Very high41 Ų4162.4 Ų62.422%0.21530%0.304CS..PPolyproline II helixtrans-70.5129.5174.5-169.966000109.5N37 Y38 V40 A97 A101L35-N37 PolarHBondContact O-N 3.14Å; L35-Y38 HydrophobicContact CD2-CD2 3.78Å; L35-Y38 HydrophobicContact CD2-CG 4.27Å; L35-Y38 HydrophobicContact CG-CD2 4Å; L35-Y38 PolarHBondContact O-N 3.11Å; L35-Y38 VanDerWaalsContact O-N 3.12Å; L35-V40 HydrophobicContact CB-CB 3.86Å; L35-V40 HydrophobicContact CB-CG1 4.25Å; L35-V40 HydrophobicContact CD2-CB 4.13Å; L35-V40 HydrophobicContact CD2-CG1 4.26Å; L35-V40 HydrophobicContact CD2-CG2 4.39Å; L35-V40 PolarHBondContact N-O 3.33Å; L35-A97 HydrophobicContact CD2-CB 4.04Å; L35-A101 HydrophobicContact CD1-CB 4.14Å; L35-A101 HydrophobicContact CD2-CB 4.18Å
36E95.8Very high96.1Very high154 Ų15462.8 Ų62.872%0.7231%0.306SS*.THydrogen-bonded Turntrans-57.9131.3-175.9-163.5-176.117300111.7Y38E36-Y38 WeakPolarHBondContact O-CD2 3.25Å; E36-Y38 PolarHBondContact O-N 3.4Å
37N95.4Very high96.2Very high140 Ų14065.8 Ų65.875%0.74932%0.32SS*.THydrogen-bonded Turntrans65.26.9-178.4-51-55.9000116.2L35L35-N37 PolarHBondContact O-N 3.14Å
38Y98.2Very high96.3Very high92 Ų9264.5 Ų64.536%0.36131%0.314SS..SBendtrans-131144179.6-59.3-75.4000111.5L34 L35 E36 V40 H94 A97L34-Y38 WeakPolarHBondContact CD1-O 3.35Å; L35-Y38 HydrophobicContact CD2-CD2 3.78Å; L35-Y38 HydrophobicContact CD2-CG 4.27Å; L35-Y38 HydrophobicContact CG-CD2 4Å; L35-Y38 PolarHBondContact O-N 3.11Å; L35-Y38 VanDerWaalsContact O-N 3.12Å; E36-Y38 WeakPolarHBondContact O-CD2 3.25Å; E36-Y38 PolarHBondContact O-N 3.4Å; Y38-V40 PolarHBondContact O-N 3.09Å; Y38-H94 HydrophobicContact CD1-CB 4.43Å; Y38-H94 AromaticContact CD1-CD2 3.67Å; Y38-H94 AromaticContact CD1-CG 3.97Å; Y38-A97 HydrophobicContact CD1-CB 3.71Å; Y38-A97 HydrophobicContact CD2-CB 3.7Å; Y38-A97 HydrophobicContact CE1-CB 3.69Å; Y38-A97 HydrophobicContact CE2-CB 3.69Å; Y38-A97 HydrophobicContact CG-CB 3.72Å
39R98.3Very high96.4Very high39 Ų3956.9 Ų56.915%0.14729%0.286CS..SBendtrans-74.859.8170-67.7-179.8175.3173.1-0.2111.1D19 L22 A83 S85 H94D19-R39 WeakPolarHBondContact OD1-CG 3.29Å; D19-R39 IonicContact OD1-CZ 2.67Å; D19-R39 IonicContact OD1-NE 2.67Å; D19-R39 PolarHBondContact OD1-NE 2.86Å; D19-R39 IonicContact OD1-NH2 3.38Å; D19-R39 PolarHBondContact OD1-NH2 3.46Å; D19-R39 IonicContact OD2-CZ 2.99Å; D19-R39 IonicContact OD2-NE 2.73Å; D19-R39 IonicContact OD2-NH2 2.64Å; D19-R39 PolarHBondContact OD2-NH2 3.06Å; L22-R39 HydrophobicContact CD1-CB 3.6Å; L22-R39 HydrophobicContact CD1-CG 3.75Å; R39-A83 HydrophobicContact CB-CB 4.3Å; R39-A83 WeakPolarHBondContact CB-O 3.46Å; R39-A83 PolarHBondContact O-N 3.32Å; R39-S85 PolarHBondContact NH1-OG 2.81Å; R39-S85 VanDerWaalsContact NH1-OG 3.09Å; R39-H94 PolarHBondContact N-CE1 3.13Å; R39-H94 PolarHBondContact N-ND1 2.84Å
40V98.8Very high96.7Very high0 Ų060.1 Ų60.10%030%0.295CS..EExtended strand (participates in β ladder)trans-129.1115.5-177177.20000108.7L35 Y38 A80 A81 V82 H94 A98L35-V40 HydrophobicContact CB-CB 3.86Å; L35-V40 HydrophobicContact CB-CG1 4.25Å; L35-V40 HydrophobicContact CD2-CB 4.13Å; L35-V40 HydrophobicContact CD2-CG1 4.26Å; L35-V40 HydrophobicContact CD2-CG2 4.39Å; L35-V40 PolarHBondContact N-O 3.33Å; Y38-V40 PolarHBondContact O-N 3.09Å; V40-A80 HydrophobicContact CG1-CB 4.08Å; V40-A81 WeakPolarHBondContact CA-O 3.41Å; V40-V82 HydrophobicContact CG2-CG1 3.99Å; V40-V82 HydrophobicContact CG2-CG2 4.27Å; V40-H94 HydrophobicContact CG2-CB 4.46Å; V40-H94 WeakPolarHBondContact CG2-O 3.45Å; V40-A98 HydrophobicContact CB-CB 4.49Å; V40-A98 HydrophobicContact CG1-CB 3.66Å; V40-A98 HydrophobicContact CG2-CB 3.94Å
41L98.5Very high97.1Very high1 Ų162.6 Ų62.61%0.00530%0.296CS..EExtended strand (participates in β ladder)trans-87.1132.7165.9-71.8171.9000108.9L22 C25 A26 V32 A33 L34 A70 V73 A80 A81L22-L41 HydrophobicContact CD2-CD1 3.67Å; L22-L41 HydrophobicContact CD2-CG 3.93Å; C25-L41 HydrophobicContact CB-CD1 3.98Å; A26-L41 HydrophobicContact CB-CD2 3.99Å; V32-L41 HydrophobicContact CG1-CB 3.7Å; V32-L41 HydrophobicContact CG1-CD1 4.47Å; V32-L41 HydrophobicContact CG1-CD2 3.74Å; V32-L41 HydrophobicContact CG1-CG 4.15Å; A33-L41 CarbonylContact O-C 3.58Å; A33-L41 WeakPolarHBondContact O-CA 3.48Å; L34-L41 HydrophobicContact CB-CD2 4.36Å; L34-L41 HydrophobicContact CD1-CD2 4.22Å; L41-A70 HydrophobicContact CD1-CB 3.43Å; L41-A70 VanDerWaalsContact CD1-CB 3.43Å; L41-V73 HydrophobicContact CB-CG2 4.21Å; L41-A80 CarbonylContact O-C 3.47Å; L41-A80 WeakPolarHBondContact O-CA 3.29Å; L41-A81 PolarHBondContact N-O 3.19Å; L41-A81 PolarHBondContact O-N 2.87Å
42I98.6Very high97.4Very high12 Ų1263.6 Ų63.66%0.06231%0.307CS..EExtended strand (participates in β ladder)trans-135148.5-174.2-170.2168.1000109.9V32 A33 R44 V46 T79 A80 A101 V102V32-I42 CarbonylContact C-O 3.56Å; V32-I42 WeakPolarHBondContact CA-O 3.43Å; A33-I42 HydrophobicContact CB-CG2 4.32Å; A33-I42 PolarHBondContact N-O 3.02Å; A33-I42 PolarHBondContact O-N 2.88Å; I42-R44 PolarHBondContact O-N 2.86Å; I42-V46 HydrophobicContact CD1-CB 4.26Å; I42-V46 HydrophobicContact CD1-CG1 4.27Å; I42-V46 HydrophobicContact CD1-CG2 4.06Å; I42-V46 HydrophobicContact CG1-CB 4.23Å; I42-V46 HydrophobicContact CG1-CG2 4.35Å; I42-T79 WeakPolarHBondContact CA-O 3.4Å; I42-A80 HydrophobicContact CB-CB 4.34Å; I42-A80 HydrophobicContact CG1-CB 4.23Å; I42-A101 HydrophobicContact CD1-CB 3.64Å; I42-V102 HydrophobicContact CD1-CG1 3.67Å; I42-V102 HydrophobicContact CG1-CG1 4.06Å
43R97.8Very high97.4Very high9 Ų970 Ų703%0.03434%0.335CS..EExtended strand (participates in β ladder)trans-57.5132.3172.1-79.8179.264.3171-2.2111.3D45 V46 V73 T79 E176R43-D45 WeakPolarHBondContact CB-OD1 3.5Å; R43-D45 IonicContact CZ-OD1 3.91Å; R43-D45 IonicContact CZ-OD2 3.58Å; R43-D45 IonicContact NE-OD1 3.25Å; R43-D45 PolarHBondContact NE-OD1 3.36Å; R43-D45 IonicContact NE-OD2 2.76Å; R43-D45 IonicContact NH2-OD1 3.49Å; R43-D45 PolarHBondContact NH2-OD1 3.11Å; R43-D45 IonicContact NH2-OD2 3.53Å; R43-D45 PolarHBondContact NH2-OD2 3.01Å; R43-D45 PolarHBondContact O-N 2.8Å; R43-V46 WeakPolarHBondContact O-CB 3.4Å; R43-V46 PolarHBondContact O-N 2.92Å; R43-V46 VanDerWaalsContact O-N 3.14Å; R43-V73 HydrophobicContact CG-CG1 3.8Å; R43-T79 PolarHBondContact N-O 3.2Å; R43-E176 IonicContact CZ-OE1 2.85Å; R43-E176 IonicContact NH1-OE1 3.17Å; R43-E176 PolarHBondContact NH1-OE1 3.12Å; R43-E176 IonicContact NH2-OE1 2.7Å
44R96.6Very high97.4Very high161 Ų16170.4 Ų70.461%0.60833%0.331SS*.THydrogen-bonded Turntrans-64.2-28.2174.2-69.7-175.480.3170.14112.6S30 T31 V32 A33 I42 V46S30-R44 WeakPolarHBondContact O-CD 3.22Å; T31-R44 PolarHBondContact O-N 3.4Å; V32-R44 VanDerWaalsContact C-CG 3.46Å; V32-R44 WeakPolarHBondContact O-CD 3.32Å; A33-R44 HydrophobicContact CB-CG 3.86Å; I42-R44 PolarHBondContact O-N 2.86Å; R44-V46 VanDerWaalsContact C-N 3.32Å
45D96.6Very high97.4Very high45 Ų4567.6 Ų67.624%0.24132%0.316CS..THydrogen-bonded Turntrans-94.724.6176.772.5-29.4000112.8R43 D47 K48 V49R43-D45 WeakPolarHBondContact CB-OD1 3.5Å; R43-D45 IonicContact CZ-OD1 3.91Å; R43-D45 IonicContact CZ-OD2 3.58Å; R43-D45 IonicContact NE-OD1 3.25Å; R43-D45 PolarHBondContact NE-OD1 3.36Å; R43-D45 IonicContact NE-OD2 2.76Å; R43-D45 IonicContact NH2-OD1 3.49Å; R43-D45 PolarHBondContact NH2-OD1 3.11Å; R43-D45 IonicContact NH2-OD2 3.53Å; R43-D45 PolarHBondContact NH2-OD2 3.01Å; R43-D45 PolarHBondContact O-N 2.8Å; D45-D47 PolarHBondContact O-N 2.86Å; D45-D47 VanDerWaalsContact O-N 3.11Å; D45-K48 HydrophobicContact CB-CB 4.42Å; D45-K48 HydrophobicContact CB-CD 4.03Å; D45-K48 HydrophobicContact CB-CG 4.21Å; D45-K48 WeakPolarHBondContact O-CA 3.49Å; D45-K48 VanDerWaalsContact O-CB 3.32Å; D45-K48 WeakPolarHBondContact O-CB 3.38Å; D45-K48 PolarHBondContact O-N 2.81Å; D45-V49 PolarHBondContact O-N 3.13Å
46V98Very high97.5Very high17 Ų1765.6 Ų65.610%0.10331%0.306CS..Hα-helixtrans-51.5-35.9179.162.40000112.7I42 R43 R44 K48 V49 R50 T79 V102I42-V46 HydrophobicContact CD1-CB 4.26Å; I42-V46 HydrophobicContact CD1-CG1 4.27Å; I42-V46 HydrophobicContact CD1-CG2 4.06Å; I42-V46 HydrophobicContact CG1-CB 4.23Å; I42-V46 HydrophobicContact CG1-CG2 4.35Å; R43-V46 WeakPolarHBondContact O-CB 3.4Å; R43-V46 PolarHBondContact O-N 2.92Å; R43-V46 VanDerWaalsContact O-N 3.14Å; R44-V46 VanDerWaalsContact C-N 3.32Å; V46-K48 VanDerWaalsContact C-N 3.28Å; V46-K48 PolarHBondContact O-N 2.86Å; V46-V49 WeakPolarHBondContact O-CB 3.19Å; V46-V49 PolarHBondContact O-N 3.04Å; V46-V49 VanDerWaalsContact O-N 3.09Å; V46-R50 PolarHBondContact O-N 3.37Å; V46-T79 HydrophobicContact CG2-CG2 4.15Å; V46-V102 HydrophobicContact CG2-CB 4.37Å; V46-V102 HydrophobicContact CG2-CG1 4.17Å
47D97.9Very high97.6Very high78 Ų7858.3 Ų58.342%0.41727%0.272SS..Hα-helixtrans-59-39.4176.5-64.3-20.5000111.7D45 V49 R50 E51D45-D47 PolarHBondContact O-N 2.86Å; D45-D47 VanDerWaalsContact O-N 3.11Å; D47-V49 VanDerWaalsContact C-N 3.33Å; D47-V49 PolarHBondContact O-N 2.85Å; D47-R50 PolarHBondContact O-N 2.99Å; D47-R50 IonicContact OD1-CZ 2.69Å; D47-R50 IonicContact OD1-NH1 3.93Å; D47-R50 PolarHBondContact OD1-NH1 3.35Å; D47-R50 IonicContact OD1-NH2 2.92Å; D47-R50 PolarHBondContact OD1-NH2 2.91Å; D47-E51 WeakPolarHBondContact O-CB 3.42Å; D47-E51 VanDerWaalsContact O-CG 3.29Å; D47-E51 WeakPolarHBondContact O-CG 3.34Å; D47-E51 PolarHBondContact O-N 2.8Å
48K96.9Very high97.8Very high142 Ų14251.6 Ų51.662%0.61724%0.236SC*.Hα-helixtrans-64-38.5176-61.2-171.7-175.2173.10111.9D45 V46 R50 E51 A52D45-K48 HydrophobicContact CB-CB 4.42Å; D45-K48 HydrophobicContact CB-CD 4.03Å; D45-K48 HydrophobicContact CB-CG 4.21Å; D45-K48 WeakPolarHBondContact O-CA 3.49Å; D45-K48 VanDerWaalsContact O-CB 3.32Å; D45-K48 WeakPolarHBondContact O-CB 3.38Å; D45-K48 PolarHBondContact O-N 2.81Å; V46-K48 VanDerWaalsContact C-N 3.28Å; V46-K48 PolarHBondContact O-N 2.86Å; K48-R50 VanDerWaalsContact C-N 3.34Å; K48-E51 PolarHBondContact O-N 3.48Å; K48-A52 WeakPolarHBondContact O-CB 3.48Å; K48-A52 PolarHBondContact O-N 3.17Å
49V97.2Very high97.8Very high7 Ų747.2 Ų47.24%0.04222%0.219CC..Hα-helixtrans-62.2-44.5176.1-177.70000110.1D45 V46 D47 K53 H54 T79D45-V49 PolarHBondContact O-N 3.13Å; V46-V49 WeakPolarHBondContact O-CB 3.19Å; V46-V49 PolarHBondContact O-N 3.04Å; V46-V49 VanDerWaalsContact O-N 3.09Å; D47-V49 VanDerWaalsContact C-N 3.33Å; D47-V49 PolarHBondContact O-N 2.85Å; V49-K53 PolarHBondContact O-N 2.94Å; V49-H54 HydrophobicContact CG1-CB 4.12Å; V49-H54 PolarHBondContact O-N 3.44Å; V49-H54 VanDerWaalsContact O-N 3.11Å; V49-T79 HydrophobicContact CG1-CG2 4.42Å
50R97.2Very high97.8Very high90 Ų9045.4 Ų45.434%0.3421%0.212SC..Hα-helixtrans-67.3-44.6178.1-60.4-167.4-40.7-107.5-7.6112.4V46 D47 K48 K53 Q103V46-R50 PolarHBondContact O-N 3.37Å; D47-R50 PolarHBondContact O-N 2.99Å; D47-R50 IonicContact OD1-CZ 2.69Å; D47-R50 IonicContact OD1-NH1 3.93Å; D47-R50 PolarHBondContact OD1-NH1 3.35Å; D47-R50 IonicContact OD1-NH2 2.92Å; D47-R50 PolarHBondContact OD1-NH2 2.91Å; K48-R50 VanDerWaalsContact C-N 3.34Å; R50-K53 WeakPolarHBondContact O-CA 3.39Å; R50-K53 PolarHBondContact O-N 3.37Å; R50-Q103 WeakPolarHBondContact CD-O 3.45Å
51E97Very high97.7Very high150 Ų15045.6 Ų45.670%0.70121%0.214SC*.Hα-helixtrans-65.7-39.5-179.6-74.8171.8-174.500112.4D47 K48 K53D47-E51 WeakPolarHBondContact O-CB 3.42Å; D47-E51 VanDerWaalsContact O-CG 3.29Å; D47-E51 WeakPolarHBondContact O-CG 3.34Å; D47-E51 PolarHBondContact O-N 2.8Å; K48-E51 PolarHBondContact O-N 3.48Å; E51-K53 PolarHBondContact O-N 3.42Å
52A96.6Very high97.6Very high54 Ų5445.8 Ų45.845%0.44622%0.217SC..THydrogen-bonded Turntrans-67.9-8.9172.900000112.9K48 H54K48-A52 WeakPolarHBondContact O-CB 3.48Å; K48-A52 PolarHBondContact O-N 3.17Å; A52-H54 PolarHBondContact O-CD2 3.08Å; A52-H54 VanDerWaalsContact O-CD2 3.23Å; A52-H54 PolarHBondContact O-N 2.72Å
53K95.8Very high97.5Very high141 Ų14145.5 Ų45.561%0.61322%0.215SC*.THydrogen-bonded Turntrans53.643.5-173.3-56.8179.8-179.11790111.2V49 R50 E51 A106V49-K53 PolarHBondContact O-N 2.94Å; R50-K53 WeakPolarHBondContact O-CA 3.39Å; R50-K53 PolarHBondContact O-N 3.37Å; E51-K53 PolarHBondContact O-N 3.42Å; K53-A106 VanDerWaalsContact C-CB 3.47Å; K53-A106 HydrophobicContact CB-CB 4.38Å; K53-A106 WeakPolarHBondContact O-CB 2.95Å
54H98.1Very high97.4Very high41 Ų4145.1 Ų45.119%0.1921%0.214CC..PPolyproline II helixtrans-88150.1171.1-67.8-177000109.8V49 A52 A56 A175 E176V49-H54 HydrophobicContact CG1-CB 4.12Å; V49-H54 PolarHBondContact O-N 3.44Å; V49-H54 VanDerWaalsContact O-N 3.11Å; A52-H54 PolarHBondContact O-CD2 3.08Å; A52-H54 VanDerWaalsContact O-CD2 3.23Å; A52-H54 PolarHBondContact O-N 2.72Å; H54-A56 PolarHBondContact O-N 2.99Å; H54-A175 PolarHBondContact ND1-O 3.27Å; H54-E176 PolarHBondContact CE1-O 3.39Å; H54-E176 PolarHBondContact ND1-O 3Å
55V98.8Very high97.4Very high5 Ų537.6 Ų37.63%0.0319%0.186CC..PPolyproline II helixtrans-68128.6175.3175.60000108.9L57 A106 L109 L181 L184V55-L57 HydrophobicContact CG1-CD2 4.47Å; V55-A106 HydrophobicContact CG2-CB 4.34Å; V55-L109 HydrophobicContact CG1-CB 4.16Å; V55-L181 HydrophobicContact CG1-CB 4.46Å; V55-L181 HydrophobicContact CG1-CD1 3.64Å; V55-L181 HydrophobicContact CG2-CB 3.95Å; V55-L184 HydrophobicContact CB-CD1 3.56Å; V55-L184 HydrophobicContact CG1-CD1 3.68Å; V55-L184 HydrophobicContact CG2-CD1 3.92Å
56A98.8Very high97.5Very high0 Ų038.1 Ų38.10%019%0.187CC..EExtended strand (participates in β ladder)trans-81.8142.4174.200000111.1H54 T79 V102 G107 V108 L109H54-A56 PolarHBondContact O-N 2.99Å; A56-T79 WeakPolarHBondContact CA-OG1 3.33Å; A56-T79 HydrophobicContact CB-CG2 4.13Å; A56-V102 HydrophobicContact CB-CB 3.69Å; A56-V102 HydrophobicContact CB-CG2 3.53Å; A56-G107 PolarHBondContact N-O 3.5Å; A56-G107 VanDerWaalsContact N-O 3.11Å; A56-V108 HydrophobicContact CB-CG1 4.4Å; A56-V108 HydrophobicContact CB-CG2 4.38Å; A56-V108 CarbonylContact O-C 3.6Å; A56-V108 WeakPolarHBondContact O-CA 3.28Å; A56-L109 PolarHBondContact O-N 3.35Å
57L98.9Very high97.4Very high0 Ų038 Ų380%019%0.187CC..EExtended strand (participates in β ladder)trans-107.8124.5174.9-58.1-168.6000110.4V55 L78 T79 A80 L109 C171 G172 A175V55-L57 HydrophobicContact CG1-CD2 4.47Å; L57-L78 HydrophobicContact CB-CD2 4.15Å; L57-T79 PolarHBondContact N-OG1 2.95Å; L57-T79 WeakPolarHBondContact O-CA 3.47Å; L57-T79 WeakPolarHBondContact O-CB 3.49Å; L57-T79 PolarHBondContact O-N 3.14Å; L57-A80 PolarHBondContact O-N 2.96Å; L57-A80 VanDerWaalsContact O-N 3.12Å; L57-L109 WeakPolarHBondContact CA-O 3.48Å; L57-L109 HydrophobicContact CD2-CB 3.63Å; L57-L109 HydrophobicContact CD2-CD2 3.85Å; L57-L109 HydrophobicContact CD2-CG 4.1Å; L57-C171 HydrophobicContact CD1-CB 3.78Å; L57-G172 VanDerWaalsContact CD1-CA 3.48Å; L57-G172 VanDerWaalsContact CD1-N 3.34Å; L57-A175 HydrophobicContact CD1-CB 4.43Å; L57-A175 HydrophobicContact CG-CB 4.31Å
58V98.9Very high97.4Very high0 Ų034.5 Ų34.50%017%0.169CC..EExtended strand (participates in β ladder)trans-118.3129.6175.1179.40000108.9A80 V82 A98 V102 V108 L109 I110 L111V58-A80 WeakPolarHBondContact CA-O 3.43Å; V58-A80 HydrophobicContact CG2-CB 4.46Å; V58-V82 HydrophobicContact CG1-CG2 4.03Å; V58-A98 HydrophobicContact CG1-CB 4.2Å; V58-V102 HydrophobicContact CG2-CG2 3.6Å; V58-V108 HydrophobicContact CB-CG1 4.31Å; V58-V108 HydrophobicContact CG2-CG1 3.66Å; V58-L109 PolarHBondContact N-O 3.15Å; V58-I110 HydrophobicContact CB-CG1 4.48Å; V58-I110 CarbonylContact O-C 3.58Å; V58-I110 WeakPolarHBondContact O-CA 3.39Å; V58-L111 PolarHBondContact O-N 2.92Å
59C98.7Very high97.4Very high0 Ų028.5 Ų28.50%014%0.143CC..EExtended strand (participates in β ladder)trans-138.3174.3171.5-167.30000109.1L78 A80 A81 V82 L111C59-L78 HydrophobicContact CB-CD1 3.69Å; C59-L78 HydrophobicContact CB-CD2 3.55Å; C59-L78 HydrophobicContact CB-CG 4.28Å; C59-A80 PolarHBondContact N-O 2.85Å; C59-A81 CarbonylContact O-C 3.59Å; C59-A81 VanDerWaalsContact O-CA 3.26Å; C59-A81 WeakPolarHBondContact O-CA 3.5Å; C59-V82 PolarHBondContact O-N 3.06Å; C59-L111 WeakPolarHBondContact CA-O 3.38Å; C59-L111 HydrophobicContact CB-CB 4.15Å; C59-L111 PolarHBondContact SG-O 2.99Å
60G97.9Very high97.4Very high0 Ų028.8 Ų28.80%015%0.145CC..EExtended strand (participates in β ladder)trans174179.317800000112F69 V82G60-F69 WeakPolarHBondContact O-CE2 3.44Å; G60-V82 CarbonylContact C-O 3.59Å; G60-V82 WeakPolarHBondContact CA-O 3.26Å
61G97.2Very high97.3Very high4 Ų425.5 Ų25.54%0.04113%0.134CC..EExtended strand (participates in β ladder)trans174.4-175.8-178.600000111.4V82 G84 D118G61-V82 PolarHBondContact N-O 3.36Å; G61-G84 PolarHBondContact O-N 3.42Å; G61-D118 WeakPolarHBondContact CA-OD1 3.38Å
62G95.2Very high97.4Very high6 Ų618.3 Ų18.36%0.06210%0.101CC..EExtended strand (participates in β ladder)trans-62.9148.3170.900000112.2H65 S85 A88G62-H65 PolarHBondContact O-CD2 3.35Å; G62-H65 VanDerWaalsContact O-CD2 3.28Å; G62-S85 WeakPolarHBondContact CA-O 3.34Å; G62-A88 WeakPolarHBondContact CA-O 3.45Å
63S97.3Very high97.5Very high5 Ų515.8 Ų15.84%0.0358%0.08CC..EExtended strand (participates in β ladder)trans-70.1164.6170.2-92.10000111.7V18 E66 G84 S85 V86 F87V18-S63 WeakPolarHBondContact CG1-OG 3.37Å; S63-E66 WeakPolarHBondContact CA-OE1 3.39Å; S63-E66 VanDerWaalsContact CB-OE1 3.29Å; S63-E66 WeakPolarHBondContact CB-OE1 3.44Å; S63-E66 PolarHBondContact OG-OE1 2.8Å; S63-G84 PolarHBondContact OG-O 3.15Å; S63-S85 PolarHBondContact N-O 2.87Å; S63-V86 CarbonylContact O-C 3.56Å; S63-V86 VanDerWaalsContact O-CA 3.3Å; S63-V86 WeakPolarHBondContact O-CA 3.26Å; S63-F87 WeakPolarHBondContact O-CD1 2.97Å; S63-F87 PolarHBondContact O-N 3.21Å
64G95.8Very high97.5Very high1 Ų19 Ų91%0.015%0.051CC..SBendtrans99.7-0.3-174.100000114.3E66 S312 L314G64-E66 VanDerWaalsContact C-OE2 3.25Å; G64-E66 WeakPolarHBondContact CA-OE2 3.21Å; G64-E66 PolarHBondContact N-OE1 3.09Å; G64-E66 PolarHBondContact N-OE2 2.95Å; G64-S312 PolarHBondContact O-OG 2.79Å; G64-S312 VanDerWaalsContact O-OG 3.07Å; G64-L314 VanDerWaalsContact CA-CD2 3.49Å; G64-L314 PolarHBondContact O-N 2.73Å
65H97.4Very high97.5Very high3 Ų39.7 Ų9.71%0.0146%0.057CC..SBendtrans-107.79175.7-54.7-51.6000113.3G62 A68 F87 I227 H228 M311 S312G62-H65 PolarHBondContact O-CD2 3.35Å; G62-H65 VanDerWaalsContact O-CD2 3.28Å; H65-A68 CarbonylContact C-O 3.52Å; H65-A68 HydrophobicContact CB-CB 4.36Å; H65-A68 WeakPolarHBondContact O-CB 3.44Å; H65-A68 PolarHBondContact O-N 3.22Å; H65-F87 AromaticContact CE1-CD1 3.48Å; H65-F87 VanDerWaalsContact CE1-CD1 3.48Å; H65-F87 WeakPolarHBondContact CE1-CD1 3.43Å; H65-F87 AromaticContact CE1-CE1 3.33Å; H65-F87 WeakPolarHBondContact CE1-CE1 3.22Å; H65-F87 AromaticContact NE2-CD1 3.48Å; H65-F87 WeakPolarHBondContact NE2-CD1 3.34Å; H65-F87 AromaticContact NE2-CE1 3.81Å; H65-I227 PolarHBondContact CE1-O 3.33Å; H65-H228 AromaticContact CE1-CD2 3.64Å; H65-H228 AromaticContact NE2-CD2 3.12Å; H65-H228 PolarHBondContact NE2-CD2 2.78Å; H65-H228 AromaticContact NE2-NE2 3.37Å; H65-H228 PolarHBondContact NE2-NE2 2.67Å; H65-M311 HydrophobicContact CB-CG 4.26Å; H65-M311 WeakPolarHBondContact O-CA 3.47Å; H65-S312 WeakPolarHBondContact CA-O 3.3Å; H65-S312 WeakPolarHBondContact CA-OG 3.41Å; H65-S312 PolarHBondContact ND1-O 3.22Å; H65-S312 PolarHBondContact O-N 3.44Å; H65-S312 VanDerWaalsContact O-N 3.14Å
66E97.3Very high97.4Very high56 Ų569.5 Ų9.526%0.2626%0.056SC..THydrogen-bonded Turntrans-53.9134.4-177.2-65.179.4-173.600111.1S63 G64 A68 S312S63-E66 WeakPolarHBondContact CA-OE1 3.39Å; S63-E66 VanDerWaalsContact CB-OE1 3.29Å; S63-E66 WeakPolarHBondContact CB-OE1 3.44Å; S63-E66 PolarHBondContact OG-OE1 2.8Å; G64-E66 VanDerWaalsContact C-OE2 3.25Å; G64-E66 WeakPolarHBondContact CA-OE2 3.21Å; G64-E66 PolarHBondContact N-OE1 3.09Å; G64-E66 PolarHBondContact N-OE2 2.95Å; E66-A68 PolarHBondContact N-O 2.99Å; E66-S312 PolarHBondContact N-OG 3.5Å; E66-S312 WeakPolarHBondContact O-CB 3.4Å; E66-S312 PolarHBondContact O-OG 3.24Å
67P96.9Very high97.3Very high16 Ų169.6 Ų9.610%0.1046%0.057CC..THydrogen-bonded Turncis-77.9-10.316.525.4-30.7000116.4F69 A70 D71 F72 T309 C310P67-F69 CarbonylContact O-C 3.54Å; P67-F69 PolarHBondContact O-N 2.92Å; P67-A70 PolarHBondContact O-N 3.11Å; P67-A70 VanDerWaalsContact O-N 3.09Å; P67-D71 HydrophobicContact CB-CB 3.68Å; P67-D71 WeakPolarHBondContact CB-OD2 3.19Å; P67-D71 PolarHBondContact O-N 3.01Å; P67-F72 HydrophobicContact CB-CE2 4.41Å; P67-F72 HydrophobicContact CG-CE2 4.43Å; P67-T309 VanDerWaalsContact CD-O 3.31Å; P67-T309 WeakPolarHBondContact CD-O 3.48Å; P67-T309 WeakPolarHBondContact CG-O 3.37Å; P67-C310 WeakPolarHBondContact CG-O 3.18Å
68A97.9Very high97.3Very high4 Ų49.6 Ų9.63%0.0336%0.057CC..THydrogen-bonded Turntrans-67.1127.7175.700000110.8H65 E66 F72 L165 C310 M311H65-A68 CarbonylContact C-O 3.52Å; H65-A68 HydrophobicContact CB-CB 4.36Å; H65-A68 WeakPolarHBondContact O-CB 3.44Å; H65-A68 PolarHBondContact O-N 3.22Å; E66-A68 PolarHBondContact N-O 2.99Å; A68-F72 HydrophobicContact CB-CE2 4.49Å; A68-L165 HydrophobicContact CB-CD2 4.38Å; A68-C310 WeakPolarHBondContact CB-O 3.37Å; A68-C310 PolarHBondContact N-O 3.13Å; A68-M311 HydrophobicContact CB-CB 3.99Å; A68-M311 HydrophobicContact CB-CE 4.21Å; A68-M311 HydrophobicContact CB-CG 4.05Å
69F97Very high97.3Very high16 Ų169.8 Ų9.87%0.076%0.058CC..THydrogen-bonded Turncis-107.15-8.9-55.7-72.6000112.9G60 P67 D71 F72 L78 A81 I113 L165 I168 M311G60-F69 WeakPolarHBondContact O-CE2 3.44Å; P67-F69 CarbonylContact O-C 3.54Å; P67-F69 PolarHBondContact O-N 2.92Å; F69-D71 PolarHBondContact O-N 3.23Å; F69-F72 WeakPolarHBondContact O-CB 3.41Å; F69-F72 PolarHBondContact O-N 2.82Å; F69-F72 VanDerWaalsContact O-N 3.08Å; F69-L78 HydrophobicContact CB-CD1 3.82Å; F69-A81 HydrophobicContact CB-CB 3.99Å; F69-A81 WeakPolarHBondContact O-CB 3.16Å; F69-I113 HydrophobicContact CE2-CD1 4.3Å; F69-I113 HydrophobicContact CE2-CG2 4.27Å; F69-I113 HydrophobicContact CZ-CG2 3.67Å; F69-L165 HydrophobicContact CD1-CD2 4.13Å; F69-L165 HydrophobicContact CE1-CD2 3.89Å; F69-I168 HydrophobicContact CD1-CD1 3.52Å; F69-I168 HydrophobicContact CE1-CD1 3.77Å; F69-M311 HydrophobicContact CE1-CE 3.72Å; F69-M311 HydrophobicContact CZ-CE 3.8Å
70A96.2Very high97.3Very high12 Ų129.8 Ų9.810%0.0996%0.058CC..G310 helixtrans-54-51-17800000112.7L41 P67 F72 V73L41-A70 HydrophobicContact CD1-CB 3.43Å; L41-A70 VanDerWaalsContact CD1-CB 3.43Å; P67-A70 PolarHBondContact O-N 3.11Å; P67-A70 VanDerWaalsContact O-N 3.09Å; A70-F72 PolarHBondContact O-N 3.47Å; A70-V73 WeakPolarHBondContact O-CG2 3.42Å; A70-V73 PolarHBondContact O-N 3.36Å
71D96.8Very high97.4Very high21 Ų2110 Ų1011%0.1126%0.06CC..G310 helixtrans-85.210.5-178-61.3-17000113C25 R28 P67 F69 L342 P343 G344C25-D71 PolarHBondContact SG-OD1 3.37Å; R28-D71 IonicContact CZ-OD1 3.44Å; R28-D71 IonicContact CZ-OD2 3.5Å; R28-D71 IonicContact NH2-OD1 3.95Å; R28-D71 PolarHBondContact NH2-OD1 3.11Å; R28-D71 IonicContact NH2-OD2 2.72Å; R28-D71 PolarHBondContact NH2-OD2 2.85Å; P67-D71 HydrophobicContact CB-CB 3.68Å; P67-D71 WeakPolarHBondContact CB-OD2 3.19Å; P67-D71 PolarHBondContact O-N 3.01Å; F69-D71 PolarHBondContact O-N 3.23Å; D71-L342 CarbonylContact O-C 3.55Å; D71-P343 HydrophobicContact CB-CB 4.06Å; D71-P343 WeakPolarHBondContact O-CD 3.43Å; D71-G344 VanDerWaalsContact CB-N 3.32Å; D71-G344 PolarHBondContact O-N 3.47Å
72F97.9Very high97.4Very high0 Ų010 Ų100%06%0.059CC..G310 helixtrans-98.93.6169.4-72.6-97.7000112.1P67 A68 F69 A70 L78 L165 I168 C310 L342 G344 W345P67-F72 HydrophobicContact CB-CE2 4.41Å; P67-F72 HydrophobicContact CG-CE2 4.43Å; A68-F72 HydrophobicContact CB-CE2 4.49Å; F69-F72 WeakPolarHBondContact O-CB 3.41Å; F69-F72 PolarHBondContact O-N 2.82Å; F69-F72 VanDerWaalsContact O-N 3.08Å; A70-F72 PolarHBondContact O-N 3.47Å; F72-L78 HydrophobicContact CB-CD1 4.01Å; F72-L78 HydrophobicContact CB-CG 4.31Å; F72-L78 WeakPolarHBondContact O-CB 3.26Å; F72-L78 PolarHBondContact O-N 3.44Å; F72-L165 HydrophobicContact CD1-CD2 4.29Å; F72-L165 HydrophobicContact CD2-CD2 4.44Å; F72-L165 HydrophobicContact CE1-CB 4.18Å; F72-L165 HydrophobicContact CE1-CD1 4.3Å; F72-L165 HydrophobicContact CE1-CD2 3.83Å; F72-L165 HydrophobicContact CE1-CG 4.32Å; F72-L165 HydrophobicContact CE2-CD1 4.38Å; F72-L165 HydrophobicContact CE2-CD2 4.01Å; F72-L165 HydrophobicContact CZ-CB 4.42Å; F72-L165 HydrophobicContact CZ-CD1 3.71Å; F72-L165 HydrophobicContact CZ-CD2 3.69Å; F72-L165 HydrophobicContact CZ-CG 4.14Å; F72-I168 HydrophobicContact CB-CG2 4.29Å; F72-I168 HydrophobicContact CD1-CG2 4.11Å; F72-C310 HydrophobicContact CZ-CB 4.49Å; F72-L342 WeakPolarHBondContact O-CD2 3.34Å; F72-G344 WeakPolarHBondContact CZ-O 3.09Å; F72-W345 HydrophobicContact CE1-CB 4.32Å; F72-W345 AromaticContact CE1-CE3 3.77Å; F72-W345 HydrophobicContact CE1-CE3 3.77Å; F72-W345 HydrophobicContact CZ-CE3 4.36Å
73V98.3Very high97.6Very high0 Ų010.2 Ų10.20%06%0.061CC..BIsolated β-bridgetrans-83120.9171-177.60000109.8V32 L41 R43 A70 L78 A81V32-V73 HydrophobicContact CG1-CB 4.4Å; V32-V73 HydrophobicContact CG1-CG1 4.22Å; V32-V73 HydrophobicContact CG2-CB 3.99Å; V32-V73 HydrophobicContact CG2-CG1 3.99Å; V32-V73 WeakPolarHBondContact CG2-O 3.44Å; L41-V73 HydrophobicContact CB-CG2 4.21Å; R43-V73 HydrophobicContact CG-CG1 3.8Å; A70-V73 WeakPolarHBondContact O-CG2 3.42Å; A70-V73 PolarHBondContact O-N 3.36Å; V73-L78 WeakPolarHBondContact CA-O 3.41Å; V73-L78 HydrophobicContact CG2-CB 4.31Å; V73-A81 HydrophobicContact CG2-CB 3.38Å
74G97.4Very high97.6Very high0 Ų010 Ų100%06%0.059CC..SBendtrans156.9-178.5-178.700000113.9G76 G77 L78G74-G76 PolarHBondContact O-N 2.63Å; G74-G77 PolarHBondContact O-N 3.27Å; G74-G77 VanDerWaalsContact O-N 3.13Å; G74-L78 PolarHBondContact N-O 3.11Å
75V96.7Very high97.7Very high54 Ų5413 Ų1333%0.3278%0.08SC..THydrogen-bonded Turntrans-59.8128.6176.3177.90000109.7G77 E176 Y340 C341V75-G77 VanDerWaalsContact C-N 3.31Å; V75-E176 WeakPolarHBondContact CA-OE1 3.5Å; V75-E176 HydrophobicContact CG1-CG 4.18Å; V75-Y340 VanDerWaalsContact O-CA 3.31Å; V75-Y340 WeakPolarHBondContact O-CA 3.38Å; V75-C341 HydrophobicContact CB-CB 4.43Å; V75-C341 PolarHBondContact O-N 2.79Å
76G96.9Very high97.6Very high1 Ų114.8 Ų14.81%0.019%0.091CC..THydrogen-bonded Turntrans78.510-179.100000114.9G74 G172 A173 E176G74-G76 PolarHBondContact O-N 2.63Å; G76-G172 CarbonylContact O-C 3.46Å; G76-A173 PolarHBondContact O-N 3.22Å; G76-E176 PolarHBondContact N-OE1 2.87Å; G76-E176 VanDerWaalsContact N-OE1 3.11Å
77G97.9Very high97.4Very high2 Ų214 Ų142%0.0219%0.087CC..SBendtrans-137.2-135.3176.500000112.2G74 V75 G172G74-G77 PolarHBondContact O-N 3.27Å; G74-G77 VanDerWaalsContact O-N 3.13Å; V75-G77 VanDerWaalsContact C-N 3.31Å; G77-G172 WeakPolarHBondContact O-CA 3.27Å
78L98.7Very high97.2Very high0 Ų015.5 Ų15.50%010%0.101CC..BIsolated β-bridgetrans-76.5146.8-179.9-58.7174.2000112L57 C59 F69 F72 V73 G74 A81 L111 I168L57-L78 HydrophobicContact CB-CD2 4.15Å; C59-L78 HydrophobicContact CB-CD1 3.69Å; C59-L78 HydrophobicContact CB-CD2 3.55Å; C59-L78 HydrophobicContact CB-CG 4.28Å; F69-L78 HydrophobicContact CB-CD1 3.82Å; F72-L78 HydrophobicContact CB-CD1 4.01Å; F72-L78 HydrophobicContact CB-CG 4.31Å; F72-L78 WeakPolarHBondContact O-CB 3.26Å; F72-L78 PolarHBondContact O-N 3.44Å; V73-L78 WeakPolarHBondContact CA-O 3.41Å; V73-L78 HydrophobicContact CG2-CB 4.31Å; G74-L78 PolarHBondContact N-O 3.11Å; L78-A81 HydrophobicContact CD1-CB 4.07Å; L78-L111 HydrophobicContact CD2-CD1 4.49Å; L78-I168 HydrophobicContact CD1-CD1 4.36Å; L78-I168 HydrophobicContact CD1-CG2 4.46Å; L78-I168 HydrophobicContact CD2-CD1 4.37Å; L78-I168 HydrophobicContact CD2-CG1 4.19Å; L78-I168 HydrophobicContact CD2-CG2 3.77Å; L78-I168 HydrophobicContact CG-CG2 3.71Å
79T98.7Very high97.2Very high4 Ų416.4 Ų16.43%0.02511%0.107CC..SBendtrans-80.9-38.4166.6-450000110.9I42 R43 V46 V49 A56 L57 V102I42-T79 WeakPolarHBondContact CA-O 3.4Å; R43-T79 PolarHBondContact N-O 3.2Å; V46-T79 HydrophobicContact CG2-CG2 4.15Å; V49-T79 HydrophobicContact CG1-CG2 4.42Å; A56-T79 WeakPolarHBondContact CA-OG1 3.33Å; A56-T79 HydrophobicContact CB-CG2 4.13Å; L57-T79 PolarHBondContact N-OG1 2.95Å; L57-T79 WeakPolarHBondContact O-CA 3.47Å; L57-T79 WeakPolarHBondContact O-CB 3.49Å; L57-T79 PolarHBondContact O-N 3.14Å; T79-V102 HydrophobicContact CG2-CB 3.93Å; T79-V102 HydrophobicContact CG2-CG1 3.65Å
80A98.8Very high97.2Very high0 Ų015.6 Ų15.60%010%0.103CC..EExtended strand (participates in β ladder)trans-144.9147.2171.700000112.3V40 L41 I42 L57 V58 C59 A98 V102V40-A80 HydrophobicContact CG1-CB 4.08Å; L41-A80 CarbonylContact O-C 3.47Å; L41-A80 WeakPolarHBondContact O-CA 3.29Å; I42-A80 HydrophobicContact CB-CB 4.34Å; I42-A80 HydrophobicContact CG1-CB 4.23Å; L57-A80 PolarHBondContact O-N 2.96Å; L57-A80 VanDerWaalsContact O-N 3.12Å; V58-A80 WeakPolarHBondContact CA-O 3.43Å; V58-A80 HydrophobicContact CG2-CB 4.46Å; C59-A80 PolarHBondContact N-O 2.85Å; A80-A98 HydrophobicContact CB-CB 4.33Å; A80-V102 HydrophobicContact CB-CG1 3.82Å
81A98.7Very high97.3Very high5 Ų517.5 Ų17.54%0.04111%0.114CC..EExtended strand (participates in β ladder)trans-120.3129.917200000110V40 L41 C59 F69 V73 L78V40-A81 WeakPolarHBondContact CA-O 3.41Å; L41-A81 PolarHBondContact N-O 3.19Å; L41-A81 PolarHBondContact O-N 2.87Å; C59-A81 CarbonylContact O-C 3.59Å; C59-A81 VanDerWaalsContact O-CA 3.26Å; C59-A81 WeakPolarHBondContact O-CA 3.5Å; F69-A81 HydrophobicContact CB-CB 3.99Å; F69-A81 WeakPolarHBondContact O-CB 3.16Å; V73-A81 HydrophobicContact CG2-CB 3.38Å; L78-A81 HydrophobicContact CD1-CB 4.07Å
82V98.8Very high97.4Very high3 Ų316.9 Ų16.92%0.01811%0.112CC..EExtended strand (participates in β ladder)trans-105.1123.8-178.8-164.20000109.5V40 V58 C59 G60 G61 P90 H94 I95 A98V40-V82 HydrophobicContact CG2-CG1 3.99Å; V40-V82 HydrophobicContact CG2-CG2 4.27Å; V58-V82 HydrophobicContact CG1-CG2 4.03Å; C59-V82 PolarHBondContact O-N 3.06Å; G60-V82 CarbonylContact C-O 3.59Å; G60-V82 WeakPolarHBondContact CA-O 3.26Å; G61-V82 PolarHBondContact N-O 3.36Å; V82-P90 HydrophobicContact CB-CB 4.22Å; V82-P90 HydrophobicContact CB-CG 4.12Å; V82-P90 HydrophobicContact CG1-CB 3.47Å; V82-P90 VanDerWaalsContact CG1-CB 3.47Å; V82-P90 HydrophobicContact CG1-CG 3.9Å; V82-H94 HydrophobicContact CG1-CB 3.83Å; V82-I95 HydrophobicContact CB-CG1 4.38Å; V82-I95 HydrophobicContact CG1-CG1 3.92Å; V82-I95 HydrophobicContact CG2-CG1 4.46Å; V82-A98 HydrophobicContact CG2-CB 3.61Å
83A98.5Very high97.4Very high12 Ų1220.7 Ų20.710%0.09913%0.133CC..EExtended strand (participates in β ladder)trans-104.9130.5-179.500000111.3L22 R39L22-A83 HydrophobicContact CD1-CB 3.89Å; L22-A83 HydrophobicContact CD2-CB 3.85Å; L22-A83 HydrophobicContact CG-CB 4.39Å; R39-A83 HydrophobicContact CB-CB 4.3Å; R39-A83 WeakPolarHBondContact CB-O 3.46Å; R39-A83 PolarHBondContact O-N 3.32Å
84G97.8Very high97.4Very high0 Ų022.2 Ų22.20%014%0.14CC..EExtended strand (participates in β ladder)trans-90.8-173.2166.200000112.1G61 S63 A88G61-G84 PolarHBondContact O-N 3.42Å; S63-G84 PolarHBondContact OG-O 3.15Å; G84-A88 CarbonylContact C-O 3.56Å; G84-A88 VanDerWaalsContact CA-O 3.3Å; G84-A88 WeakPolarHBondContact CA-O 3.4Å
85S96.8Very high97.5Very high63 Ų6322.2 Ų22.244%0.44114%0.14SC..EExtended strand (participates in β ladder)trans-65.8170.2169-64.90000110.7R39 G62 S63 F87 A88R39-S85 PolarHBondContact NH1-OG 2.81Å; R39-S85 VanDerWaalsContact NH1-OG 3.09Å; G62-S85 WeakPolarHBondContact CA-O 3.34Å; S63-S85 PolarHBondContact N-O 2.87Å; S85-F87 PolarHBondContact O-N 3.29Å; S85-F87 VanDerWaalsContact O-N 3.09Å; S85-A88 PolarHBondContact N-O 3.41Å; S85-A88 PolarHBondContact O-N 2.92Å; S85-A88 VanDerWaalsContact O-O 3.1Å
86V94.8Very high97.6Very high42 Ų4221.1 Ų21.126%0.25513%0.132SC..EExtended strand (participates in β ladder)trans-54120.1179.1-179.50000110.4V18 S63 A88 P207 P208 L314V18-V86 HydrophobicContact CG2-CG2 3.91Å; S63-V86 CarbonylContact O-C 3.56Å; S63-V86 VanDerWaalsContact O-CA 3.3Å; S63-V86 WeakPolarHBondContact O-CA 3.26Å; V86-A88 PolarHBondContact O-N 3.12Å; V86-P207 HydrophobicContact CG1-CB 4.36Å; V86-P208 HydrophobicContact CG2-CG 4.48Å; V86-L314 HydrophobicContact CG1-CD1 4.23Å
87F93.3Very high97.7Very high39 Ų3921.6 Ų21.617%0.17114%0.136CC..THydrogen-bonded Turntrans56.122.2-177.7-53.6-31.8000116S63 H65 S85 C205 P207 L213 H228 L314S63-F87 WeakPolarHBondContact O-CD1 2.97Å; S63-F87 PolarHBondContact O-N 3.21Å; H65-F87 AromaticContact CE1-CD1 3.48Å; H65-F87 VanDerWaalsContact CE1-CD1 3.48Å; H65-F87 WeakPolarHBondContact CE1-CD1 3.43Å; H65-F87 AromaticContact CE1-CE1 3.33Å; H65-F87 WeakPolarHBondContact CE1-CE1 3.22Å; H65-F87 AromaticContact NE2-CD1 3.48Å; H65-F87 WeakPolarHBondContact NE2-CD1 3.34Å; H65-F87 AromaticContact NE2-CE1 3.81Å; S85-F87 PolarHBondContact O-N 3.29Å; S85-F87 VanDerWaalsContact O-N 3.09Å; F87-C205 VanDerWaalsContact CE2-SG 3.59Å; F87-P207 HydrophobicContact CD2-CG 4.32Å; F87-P207 HydrophobicContact CE2-CG 3.94Å; F87-L213 HydrophobicContact CD2-CD1 4.07Å; F87-L213 HydrophobicContact CE2-CD1 3.82Å; F87-H228 HydrophobicContact CB-CB 4.31Å; F87-H228 AromaticContact CD1-CD2 3.86Å; F87-H228 HydrophobicContact CG-CB 4.34Å; F87-L314 HydrophobicContact CE1-CD1 4.41Å; F87-L314 HydrophobicContact CE1-CG 4.35Å; F87-L314 HydrophobicContact CE2-CD1 3.95Å; F87-L314 HydrophobicContact CZ-CD1 3.6Å; F87-L314 HydrophobicContact CZ-CG 3.86Å
88A94.4Very high97.7Very high47 Ų4721.5 Ų21.539%0.38814%0.135SC..SBendtrans-126.9130.9175.700000110.5G62 G84 S85 V86G62-A88 WeakPolarHBondContact CA-O 3.45Å; G84-A88 CarbonylContact C-O 3.56Å; G84-A88 VanDerWaalsContact CA-O 3.3Å; G84-A88 WeakPolarHBondContact CA-O 3.4Å; S85-A88 PolarHBondContact N-O 3.41Å; S85-A88 PolarHBondContact O-N 2.92Å; S85-A88 VanDerWaalsContact O-O 3.1Å; V86-A88 PolarHBondContact O-N 3.12Å
89S96.9Very high97.7Very high23 Ų2321.6 Ų21.616%0.16114%0.135CC..PPolyproline II helixtrans-47.3144.1177168.80000112.3G117 D118 N121S89-G117 VanDerWaalsContact CB-C 3.42Å; S89-G117 PolarHBondContact OG-O 3.08Å; S89-D118 WeakPolarHBondContact OG-CA 3.37Å; S89-N121 WeakPolarHBondContact OG-CB 3.32Å; S89-N121 PolarHBondContact OG-ND2 3.11Å
90P98.1Very high97.7Very high0 Ų025.9 Ų25.90%016%0.158CC..PPolyproline II helixtrans-59.6148.2171.621.5-28.6000111.2V82 I95 N121 F122V82-P90 HydrophobicContact CB-CB 4.22Å; V82-P90 HydrophobicContact CB-CG 4.12Å; V82-P90 HydrophobicContact CG1-CB 3.47Å; V82-P90 VanDerWaalsContact CG1-CB 3.47Å; V82-P90 HydrophobicContact CG1-CG 3.9Å; P90-I95 HydrophobicContact CB-CD1 4.43Å; P90-I95 HydrophobicContact CB-CG1 4.17Å; P90-I95 HydrophobicContact CG-CD1 4.04Å; P90-I95 HydrophobicContact CG-CG1 4.01Å; P90-N121 WeakPolarHBondContact O-CB 3.44Å; P90-N121 VanDerWaalsContact O-CG 3.3Å; P90-F122 HydrophobicContact CG-CE2 3.75Å; P90-F122 HydrophobicContact CG-CZ 4.13Å
91P97.9Very high97.7Very high51 Ų5127 Ų2733%0.33117%0.167SC..PPolyproline II helixtrans-70.3149.7176.332.8-36.9000110.7D93 H94 I95P91-D93 VanDerWaalsContact CB-OD1 3.25Å; P91-D93 WeakPolarHBondContact CB-OD1 3.25Å; P91-D93 WeakPolarHBondContact CG-OD1 3.38Å; P91-D93 PolarHBondContact O-N 2.99Å; P91-H94 HydrophobicContact CG-CB 4.06Å; P91-H94 PolarHBondContact O-N 2.83Å; P91-H94 VanDerWaalsContact O-N 3.16Å; P91-I95 PolarHBondContact O-N 2.83Å
92A98.5Very high97.7Very high9 Ų926.7 Ų26.77%0.07417%0.165CC..Hα-helixtrans-60.9-27.5-172.800000114.8L96 N121 I124 A125A92-L96 VanDerWaalsContact O-CB 3.29Å; A92-L96 WeakPolarHBondContact O-CB 3.42Å; A92-L96 PolarHBondContact O-N 3.46Å; A92-N121 WeakPolarHBondContact CB-O 3.28Å; A92-I124 HydrophobicContact CB-CB 3.91Å; A92-I124 HydrophobicContact CB-CG2 3.64Å; A92-A125 HydrophobicContact CB-CB 4.37Å; A92-A125 WeakPolarHBondContact O-CB 3.3Å
93D98.2Very high97.6Very high80 Ų8029.3 Ų29.343%0.42818%0.177SC..Hα-helixtrans-71-38.8176.460.5-21.2000112.6P91 I95 L96 A97P91-D93 VanDerWaalsContact CB-OD1 3.25Å; P91-D93 WeakPolarHBondContact CB-OD1 3.25Å; P91-D93 WeakPolarHBondContact CG-OD1 3.38Å; P91-D93 PolarHBondContact O-N 2.99Å; D93-I95 VanDerWaalsContact C-N 3.34Å; D93-L96 PolarHBondContact O-N 3.28Å; D93-A97 WeakPolarHBondContact O-CB 3.3Å; D93-A97 PolarHBondContact O-N 2.89Å
94H98.7Very high97.5Very high31 Ų3129.1 Ų29.114%0.14418%0.175CC..Hα-helixtrans-64.3-40.8172.4-72.9-145.5000111.2Y38 R39 V40 V82 P91 A97 A98Y38-H94 HydrophobicContact CD1-CB 4.43Å; Y38-H94 AromaticContact CD1-CD2 3.67Å; Y38-H94 AromaticContact CD1-CG 3.97Å; R39-H94 PolarHBondContact N-CE1 3.13Å; R39-H94 PolarHBondContact N-ND1 2.84Å; V40-H94 HydrophobicContact CG2-CB 4.46Å; V40-H94 WeakPolarHBondContact CG2-O 3.45Å; V82-H94 HydrophobicContact CG1-CB 3.83Å; P91-H94 HydrophobicContact CG-CB 4.06Å; P91-H94 PolarHBondContact O-N 2.83Å; P91-H94 VanDerWaalsContact O-N 3.16Å; H94-A97 PolarHBondContact O-N 3.3Å; H94-A98 PolarHBondContact O-N 2.9Å
95I98.8Very high97.5Very high0 Ų033.1 Ų33.10%020%0.203CC..Hα-helixtrans-64.5-45.3175.9-58.9162.4000110.5V82 P90 P91 D93 A97 A98 I99 N121 F122 A125V82-I95 HydrophobicContact CB-CG1 4.38Å; V82-I95 HydrophobicContact CG1-CG1 3.92Å; V82-I95 HydrophobicContact CG2-CG1 4.46Å; P90-I95 HydrophobicContact CB-CD1 4.43Å; P90-I95 HydrophobicContact CB-CG1 4.17Å; P90-I95 HydrophobicContact CG-CD1 4.04Å; P90-I95 HydrophobicContact CG-CG1 4.01Å; P91-I95 PolarHBondContact O-N 2.83Å; D93-I95 VanDerWaalsContact C-N 3.34Å; I95-A97 VanDerWaalsContact C-N 3.32Å; I95-A97 PolarHBondContact O-N 2.87Å; I95-A98 WeakPolarHBondContact O-CB 3.13Å; I95-A98 PolarHBondContact O-N 2.86Å; I95-I99 HydrophobicContact CG2-CD1 4.09Å; I95-I99 WeakPolarHBondContact O-CG1 3.41Å; I95-I99 PolarHBondContact O-N 2.88Å; I95-N121 HydrophobicContact CD1-CB 3.87Å; I95-F122 HydrophobicContact CD1-CB 4.35Å; I95-F122 HydrophobicContact CD1-CD1 4Å; I95-F122 HydrophobicContact CD1-CD2 3.47Å; I95-F122 VanDerWaalsContact CD1-CD2 3.47Å; I95-F122 HydrophobicContact CD1-CE1 4.16Å; I95-F122 HydrophobicContact CD1-CE2 3.64Å; I95-F122 HydrophobicContact CD1-CG 3.68Å; I95-F122 HydrophobicContact CD1-CZ 3.98Å; I95-F122 HydrophobicContact CG1-CD1 4.3Å; I95-F122 HydrophobicContact CG1-CD2 4.36Å; I95-F122 HydrophobicContact CG1-CE1 4.08Å; I95-F122 HydrophobicContact CG1-CE2 4.13Å; I95-F122 HydrophobicContact CG1-CG 4.45Å; I95-F122 HydrophobicContact CG1-CZ 3.98Å; I95-F122 HydrophobicContact CG2-CD1 3.53Å; I95-F122 HydrophobicContact CG2-CE1 3.67Å; I95-F122 HydrophobicContact CG2-CG 4.22Å; I95-F122 HydrophobicContact CG2-CZ 4.42Å; I95-A125 HydrophobicContact CB-CB 3.64Å; I95-A125 HydrophobicContact CG2-CB 3.45Å; I95-A125 VanDerWaalsContact CG2-CB 3.45Å
96L98.7Very high97.5Very high31 Ų3131.2 Ų31.216%0.16219%0.191CC..Hα-helixtrans-62.2-39.6176.7-179.262.2000111.8A92 D93 I99 N100 A125 R128 A129 L132A92-L96 VanDerWaalsContact O-CB 3.29Å; A92-L96 WeakPolarHBondContact O-CB 3.42Å; A92-L96 PolarHBondContact O-N 3.46Å; D93-L96 PolarHBondContact O-N 3.28Å; L96-I99 PolarHBondContact O-N 2.97Å; L96-N100 WeakPolarHBondContact O-CB 3.26Å; L96-N100 PolarHBondContact O-N 2.96Å; L96-A125 HydrophobicContact CB-CB 4.43Å; L96-R128 HydrophobicContact CD1-CB 4.41Å; L96-R128 HydrophobicContact CD2-CB 4.16Å; L96-A129 HydrophobicContact CD1-CB 3.78Å; L96-L132 HydrophobicContact CD1-CD1 4.4Å; L96-L132 HydrophobicContact CD2-CD1 3.86Å
97A98.8Very high97.7Very high12 Ų1229.2 Ų29.210%0.09918%0.179CC..Hα-helixtrans-62.1-42.3174.700000111.7L35 Y38 D93 H94 I95 N100 A101L35-A97 HydrophobicContact CD2-CB 4.04Å; Y38-A97 HydrophobicContact CD1-CB 3.71Å; Y38-A97 HydrophobicContact CD2-CB 3.7Å; Y38-A97 HydrophobicContact CE1-CB 3.69Å; Y38-A97 HydrophobicContact CE2-CB 3.69Å; Y38-A97 HydrophobicContact CG-CB 3.72Å; D93-A97 WeakPolarHBondContact O-CB 3.3Å; D93-A97 PolarHBondContact O-N 2.89Å; H94-A97 PolarHBondContact O-N 3.3Å; I95-A97 VanDerWaalsContact C-N 3.32Å; I95-A97 PolarHBondContact O-N 2.87Å; A97-N100 PolarHBondContact O-N 3.47Å; A97-A101 WeakPolarHBondContact O-CB 3.31Å; A97-A101 PolarHBondContact O-N 2.92Å
98A98.8Very high98Very high0 Ų027.3 Ų27.30%017%0.171CC..Hα-helixtrans-60.8-47.9174.100000111.9V40 V58 A80 V82 H94 I95 N100 A101 V102V40-A98 HydrophobicContact CB-CB 4.49Å; V40-A98 HydrophobicContact CG1-CB 3.66Å; V40-A98 HydrophobicContact CG2-CB 3.94Å; V58-A98 HydrophobicContact CG1-CB 4.2Å; A80-A98 HydrophobicContact CB-CB 4.33Å; V82-A98 HydrophobicContact CG2-CB 3.61Å; H94-A98 PolarHBondContact O-N 2.9Å; I95-A98 WeakPolarHBondContact O-CB 3.13Å; I95-A98 PolarHBondContact O-N 2.86Å; A98-N100 VanDerWaalsContact C-N 3.33Å; A98-N100 PolarHBondContact O-N 3.28Å; A98-A101 PolarHBondContact O-N 3.49Å; A98-V102 WeakPolarHBondContact O-CG2 3.42Å; A98-V102 PolarHBondContact O-N 3.04Å; A98-V102 VanDerWaalsContact O-N 3.13Å
99I98.8Very high98.2Very high1 Ų125.1 Ų25.11%0.00515%0.152CC..Hα-helixtrans-57.6-47.8176.5-65.5163.6000110.2I95 L96 A101 V102 Q103 V108 I110 A125 A129 L133 L138I95-I99 HydrophobicContact CG2-CD1 4.09Å; I95-I99 WeakPolarHBondContact O-CG1 3.41Å; I95-I99 PolarHBondContact O-N 2.88Å; L96-I99 PolarHBondContact O-N 2.97Å; I99-A101 VanDerWaalsContact C-N 3.31Å; I99-A101 PolarHBondContact O-N 2.89Å; I99-V102 PolarHBondContact O-N 2.86Å; I99-Q103 VanDerWaalsContact O-CB 3.29Å; I99-Q103 WeakPolarHBondContact O-CB 3.47Å; I99-Q103 PolarHBondContact O-N 3.36Å; I99-V108 HydrophobicContact CG2-CG2 4.45Å; I99-I110 HydrophobicContact CD1-CD1 3.62Å; I99-I110 HydrophobicContact CD1-CG1 4.3Å; I99-I110 HydrophobicContact CG1-CD1 4.1Å; I99-I110 HydrophobicContact CG1-CG1 4.35Å; I99-A125 HydrophobicContact CD1-CB 4.45Å; I99-A129 HydrophobicContact CD1-CB 4.15Å; I99-A129 HydrophobicContact CG2-CB 4.02Å; I99-L133 HydrophobicContact CG2-CD1 4.1Å; I99-L138 HydrophobicContact CG2-CD2 4.12Å
100N98.3Very high98.3Very high95 Ų9524 Ų2451%0.50815%0.145SC..Hα-helixtrans-63-35.7179.3-175.561.8000112.9L96 A97 A98 Q103L96-N100 WeakPolarHBondContact O-CB 3.26Å; L96-N100 PolarHBondContact O-N 2.96Å; A97-N100 PolarHBondContact O-N 3.47Å; A98-N100 VanDerWaalsContact C-N 3.33Å; A98-N100 PolarHBondContact O-N 3.28Å; N100-Q103 WeakPolarHBondContact O-CG 3.49Å
101A98.2Very high98.3Very high22 Ų2224 Ų2418%0.18215%0.145CC..Hα-helixtrans-72.1-31.818000000113.2L35 I42 A97 A98 I99L35-A101 HydrophobicContact CD1-CB 4.14Å; L35-A101 HydrophobicContact CD2-CB 4.18Å; I42-A101 HydrophobicContact CD1-CB 3.64Å; A97-A101 WeakPolarHBondContact O-CB 3.31Å; A97-A101 PolarHBondContact O-N 2.92Å; A98-A101 PolarHBondContact O-N 3.49Å; I99-A101 VanDerWaalsContact C-N 3.31Å; I99-A101 PolarHBondContact O-N 2.89Å
102V98.4Very high98.3Very high0 Ų021.6 Ų21.60%013%0.129CC..Hα-helixtrans-100.9-14.4-175.5-54.50000114.8I42 V46 A56 V58 T79 A80 A98 I99 V108I42-V102 HydrophobicContact CD1-CG1 3.67Å; I42-V102 HydrophobicContact CG1-CG1 4.06Å; V46-V102 HydrophobicContact CG2-CB 4.37Å; V46-V102 HydrophobicContact CG2-CG1 4.17Å; A56-V102 HydrophobicContact CB-CB 3.69Å; A56-V102 HydrophobicContact CB-CG2 3.53Å; V58-V102 HydrophobicContact CG2-CG2 3.6Å; T79-V102 HydrophobicContact CG2-CB 3.93Å; T79-V102 HydrophobicContact CG2-CG1 3.65Å; A80-V102 HydrophobicContact CB-CG1 3.82Å; A98-V102 WeakPolarHBondContact O-CG2 3.42Å; A98-V102 PolarHBondContact O-N 3.04Å; A98-V102 VanDerWaalsContact O-N 3.13Å; I99-V102 PolarHBondContact O-N 2.86Å; V102-V108 HydrophobicContact CG2-CG1 4.08Å; V102-V108 HydrophobicContact CG2-CG2 4.16Å
103Q97.6Very high98.3Very high57 Ų5721.2 Ų21.227%0.26613%0.126SC..  trans-59.3147.2-170.964.181.924.900114.1R50 I99 N100 V108 L133 V136R50-Q103 WeakPolarHBondContact CD-O 3.45Å; I99-Q103 VanDerWaalsContact O-CB 3.29Å; I99-Q103 WeakPolarHBondContact O-CB 3.47Å; I99-Q103 PolarHBondContact O-N 3.36Å; N100-Q103 WeakPolarHBondContact O-CG 3.49Å; Q103-V108 HydrophobicContact CB-CG2 4.02Å; Q103-L133 HydrophobicContact CG-CD1 4.25Å; Q103-V136 HydrophobicContact CB-CG1 3.88Å; Q103-V136 HydrophobicContact CB-CG2 4.1Å; Q103-V136 HydrophobicContact CG-CG2 4.31Å
104S96.4Very high98.1Very high9 Ų918 Ų186%0.06311%0.109CC..  trans-149.9177.1171.279.60000109.8A106 G107S104-A106 PolarHBondContact O-N 2.83Å; S104-A106 VanDerWaalsContact O-N 3.12Å; S104-A106 WeakPolarHBondContact OG-CB 3.29Å; S104-A106 PolarHBondContact OG-N 3.26Å; S104-G107 PolarHBondContact O-N 3.06Å
105S96.4Very high97.9Very high83 Ų8317.4 Ų17.458%0.5811%0.105SC*.THydrogen-bonded Turntrans-61.7-17.6174.561.40000114G107S105-G107 VanDerWaalsContact C-N 3.31Å
106A97.9Very high97.6Very high23 Ų2321.6 Ų21.619%0.1913%0.13CC..THydrogen-bonded Turntrans-76.3-22.6175.800000112.7K53 V55 S104K53-A106 VanDerWaalsContact C-CB 3.47Å; K53-A106 HydrophobicContact CB-CB 4.38Å; K53-A106 WeakPolarHBondContact O-CB 2.95Å; V55-A106 HydrophobicContact CG2-CB 4.34Å; S104-A106 PolarHBondContact O-N 2.83Å; S104-A106 VanDerWaalsContact O-N 3.12Å; S104-A106 WeakPolarHBondContact OG-CB 3.29Å; S104-A106 PolarHBondContact OG-N 3.26Å
107G98.6Very high97.4Very high0 Ų021.6 Ų21.60%014%0.138CC..  trans97.1179.5177.500000115.1A56 S104 S105 P137A56-G107 PolarHBondContact N-O 3.5Å; A56-G107 VanDerWaalsContact N-O 3.11Å; S104-G107 PolarHBondContact O-N 3.06Å; S105-G107 VanDerWaalsContact C-N 3.31Å; G107-P137 CarbonylContact C-O 3.44Å; G107-P137 WeakPolarHBondContact CA-O 3.43Å
108V98.9Very high97.3Very high0 Ų021.2 Ų21.20%014%0.135CC..EExtended strand (participates in β ladder)trans-128.6127.6-177.7-170.50000109.7A56 V58 I99 V102 Q103 I110 V136 P137 L138 E139A56-V108 HydrophobicContact CB-CG1 4.4Å; A56-V108 HydrophobicContact CB-CG2 4.38Å; A56-V108 CarbonylContact O-C 3.6Å; A56-V108 WeakPolarHBondContact O-CA 3.28Å; V58-V108 HydrophobicContact CB-CG1 4.31Å; V58-V108 HydrophobicContact CG2-CG1 3.66Å; I99-V108 HydrophobicContact CG2-CG2 4.45Å; V102-V108 HydrophobicContact CG2-CG1 4.08Å; V102-V108 HydrophobicContact CG2-CG2 4.16Å; Q103-V108 HydrophobicContact CB-CG2 4.02Å; V108-I110 HydrophobicContact CG1-CG1 4.16Å; V108-V136 HydrophobicContact CG2-CG1 4.24Å; V108-P137 PolarHBondContact N-O 3.23Å; V108-L138 HydrophobicContact CB-CD2 3.71Å; V108-L138 HydrophobicContact CG2-CD2 4.01Å; V108-E139 PolarHBondContact O-N 3.08Å; V108-E139 VanDerWaalsContact O-N 3.13Å
109L98.9Very high97.2Very high0 Ų026.2 Ų26.20%015%0.154CC..EExtended strand (participates in β ladder)trans-97.2118.2168.8176.960.9000109.3V55 A56 L57 V58 L111 E139 V141 L181 L184 A185V55-L109 HydrophobicContact CG1-CB 4.16Å; A56-L109 PolarHBondContact O-N 3.35Å; L57-L109 WeakPolarHBondContact CA-O 3.48Å; L57-L109 HydrophobicContact CD2-CB 3.63Å; L57-L109 HydrophobicContact CD2-CD2 3.85Å; L57-L109 HydrophobicContact CD2-CG 4.1Å; V58-L109 PolarHBondContact N-O 3.15Å; L109-L111 HydrophobicContact CD1-CD2 4.46Å; L109-L111 HydrophobicContact CD2-CD2 4.07Å; L109-L111 HydrophobicContact CG-CD2 4.03Å; L109-L111 HydrophobicContact CG-CG 4.36Å; L109-E139 HydrophobicContact CD1-CB 3.88Å; L109-V141 HydrophobicContact CD1-CG2 3.86Å; L109-L181 HydrophobicContact CB-CD1 3.72Å; L109-L184 HydrophobicContact CD2-CB 3.82Å; L109-A185 HydrophobicContact CD1-CB 4.01Å
110I98.9Very high97.2Very high1 Ų131.3 Ų31.31%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-99.9112.6-179.6-61.9154.7000108.3V58 I99 V108 V112 F122 F126 E139 M140 V141V58-I110 HydrophobicContact CB-CG1 4.48Å; V58-I110 CarbonylContact O-C 3.58Å; V58-I110 WeakPolarHBondContact O-CA 3.39Å; I99-I110 HydrophobicContact CD1-CD1 3.62Å; I99-I110 HydrophobicContact CD1-CG1 4.3Å; I99-I110 HydrophobicContact CG1-CD1 4.1Å; I99-I110 HydrophobicContact CG1-CG1 4.35Å; V108-I110 HydrophobicContact CG1-CG1 4.16Å; I110-V112 HydrophobicContact CG2-CG2 3.82Å; I110-F122 HydrophobicContact CG2-CD1 3.51Å; I110-F122 HydrophobicContact CG2-CE1 4.07Å; I110-F126 HydrophobicContact CD1-CD2 3.73Å; I110-F126 HydrophobicContact CD1-CE2 4.43Å; I110-E139 PolarHBondContact N-O 3.48Å; I110-M140 HydrophobicContact CB-CB 4.43Å; I110-M140 HydrophobicContact CB-CG 4.32Å; I110-M140 HydrophobicContact CG2-CG 4.19Å; I110-M140 CarbonylContact O-C 3.53Å; I110-M140 WeakPolarHBondContact O-CA 3.42Å; I110-V141 PolarHBondContact O-N 3.09Å
111L98.9Very high97.2Very high0 Ų028.9 Ų28.90%017%0.167CC..EExtended strand (participates in β ladder)trans-97.7122.7178.7-61.7175.9000109.1V58 C59 L78 L109 V141 M143 V167 I168 A188V58-L111 PolarHBondContact O-N 2.92Å; C59-L111 WeakPolarHBondContact CA-O 3.38Å; C59-L111 HydrophobicContact CB-CB 4.15Å; C59-L111 PolarHBondContact SG-O 2.99Å; L78-L111 HydrophobicContact CD2-CD1 4.49Å; L109-L111 HydrophobicContact CD1-CD2 4.46Å; L109-L111 HydrophobicContact CD2-CD2 4.07Å; L109-L111 HydrophobicContact CG-CD2 4.03Å; L109-L111 HydrophobicContact CG-CG 4.36Å; L111-V141 HydrophobicContact CD2-CB 4.2Å; L111-M143 HydrophobicContact CB-CE 3.82Å; L111-M143 HydrophobicContact CB-SD 4Å; L111-M143 HydrophobicContact CD2-SD 4.39Å; L111-V167 HydrophobicContact CD1-CG1 4.26Å; L111-V167 HydrophobicContact CD2-CG1 3.99Å; L111-I168 HydrophobicContact CD1-CG1 4.11Å; L111-A188 HydrophobicContact CD2-CB 4.11Å
112V98.6Very high97.2Very high0 Ų027.9 Ų27.90%016%0.159CC..EExtended strand (participates in β ladder)trans-125.2122.2-172.9-171.50000109.6I110 D118 F122 M140 V141 I142 M143I110-V112 HydrophobicContact CG2-CG2 3.82Å; V112-D118 HydrophobicContact CG1-CB 3.84Å; V112-F122 HydrophobicContact CG1-CB 4.05Å; V112-F122 HydrophobicContact CG1-CD2 4.01Å; V112-F122 HydrophobicContact CG1-CG 4.04Å; V112-F122 HydrophobicContact CG2-CB 3.69Å; V112-F122 HydrophobicContact CG2-CD1 3.84Å; V112-F122 HydrophobicContact CG2-CD2 4.46Å; V112-F122 HydrophobicContact CG2-CG 3.75Å; V112-M140 HydrophobicContact CG2-CG 3.78Å; V112-M140 HydrophobicContact CG2-SD 3.94Å; V112-V141 PolarHBondContact N-O 3.04Å; V112-I142 HydrophobicContact CB-CD1 3.72Å; V112-I142 HydrophobicContact CG1-CD1 4.12Å; V112-I142 HydrophobicContact CG2-CD1 4.16Å; V112-I142 CarbonylContact O-C 3.55Å; V112-I142 WeakPolarHBondContact O-CA 3.39Å; V112-M143 PolarHBondContact O-N 3.09Å
113I96.8Very high97.2Very high1 Ų128.7 Ų28.71%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-62.8138.7170.552.8175000110.4F69 Y115 D118 M143 I227F69-I113 HydrophobicContact CE2-CD1 4.3Å; F69-I113 HydrophobicContact CE2-CG2 4.27Å; F69-I113 HydrophobicContact CZ-CG2 3.67Å; I113-Y115 HydrophobicContact CB-CD2 4.33Å; I113-Y115 HydrophobicContact CD1-CD2 4.06Å; I113-Y115 HydrophobicContact CG1-CD2 4.23Å; I113-Y115 PolarHBondContact O-N 3.01Å; I113-D118 HydrophobicContact CG1-CB 4.21Å; I113-M143 HydrophobicContact CG2-CE 3.99Å; I113-I227 HydrophobicContact CD1-CD1 4.44Å
114N95.4Very high97.3Very high13 Ų1329.6 Ų29.67%0.0717%0.173CC..SBendtrans-77.771.2-173.9-170.427.3000112.8R119 I142 M143 A156 R158N114-R119 WeakPolarHBondContact OD1-CD 3.43Å; N114-R119 PolarHBondContact OD1-NH1 3.43Å; N114-I142 HydrophobicContact CB-CG2 3.58Å; N114-M143 VanDerWaalsContact CB-O 3.32Å; N114-M143 WeakPolarHBondContact CB-O 3.3Å; N114-M143 PolarHBondContact N-O 3.43Å; N114-A156 PolarHBondContact ND2-O 3.28Å; N114-A156 PolarHBondContact OD1-O 3.27Å; N114-R158 VanDerWaalsContact CB-O 3.24Å; N114-R158 WeakPolarHBondContact CB-O 3.33Å; N114-R158 PolarHBondContact ND2-O 3.35Å
115Y93.6Very high97.4Very high18 Ų1829.1 Ų29.17%0.07117%0.17CC..  trans-121147.3169.2-80.2-81.7000109.3I113 G117 D118 R119 R159 I227 H228 E230I113-Y115 HydrophobicContact CB-CD2 4.33Å; I113-Y115 HydrophobicContact CD1-CD2 4.06Å; I113-Y115 HydrophobicContact CG1-CD2 4.23Å; I113-Y115 PolarHBondContact O-N 3.01Å; Y115-G117 VanDerWaalsContact C-N 3.34Å; Y115-G117 PolarHBondContact O-N 3.37Å; Y115-D118 WeakPolarHBondContact CB-OD2 3.37Å; Y115-D118 PolarHBondContact O-N 2.94Å; Y115-R119 WeakPolarHBondContact O-CB 3.44Å; Y115-R119 WeakPolarHBondContact O-CG 3.45Å; Y115-R119 PolarHBondContact O-N 2.94Å; Y115-R159 HydrophobicContact CE1-CB 4.45Å; Y115-R159 HydrophobicContact CE1-CG 4.01Å; Y115-R159 HydrophobicContact CE2-CB 4.18Å; Y115-I227 HydrophobicContact CE2-CD1 3.77Å; Y115-I227 HydrophobicContact CE2-CG1 3.71Å; Y115-I227 WeakPolarHBondContact OH-CG1 3.46Å; Y115-I227 PolarHBondContact OH-N 3.35Å; Y115-H228 AromaticContact CD1-CE1 3.47Å; Y115-H228 VanDerWaalsContact CD1-CE1 3.47Å; Y115-H228 WeakPolarHBondContact CD1-CE1 3Å; Y115-H228 AromaticContact CD1-ND1 3.67Å; Y115-H228 AromaticContact CD2-CE1 3.83Å; Y115-H228 AromaticContact CE1-CE1 3.48Å; Y115-H228 VanDerWaalsContact CE1-CE1 3.48Å; Y115-H228 WeakPolarHBondContact CE1-CE1 3.19Å; Y115-H228 AromaticContact CE1-ND1 3.36Å; Y115-H228 WeakPolarHBondContact CE1-ND1 3.41Å; Y115-H228 AromaticContact CE2-CE1 3.82Å; Y115-H228 AromaticContact CG-CE1 3.63Å; Y115-H228 AromaticContact CZ-CE1 3.61Å; Y115-H228 AromaticContact CZ-ND1 3.7Å; Y115-E230 WeakPolarHBondContact CE1-OE1 3.42Å
116T93.1Very high97.5Very high87 Ų8726.5 Ų26.553%0.53415%0.148SC..Hα-helixtrans-59.3-44.9-172.8-57.40000111.9R119 L120T116-R119 PolarHBondContact O-N 3.03Å; T116-L120 HydrophobicContact CG2-CD1 3.98Å; T116-L120 HydrophobicContact CG2-CG 4.5Å; T116-L120 VanDerWaalsContact O-CG 3.26Å; T116-L120 WeakPolarHBondContact O-CG 3.41Å; T116-L120 PolarHBondContact O-N 3.27Å; T116-L120 VanDerWaalsContact O-N 3.08Å
117G93.4Very high97.5Very high32 Ų3230.7 Ų30.733%0.3316%0.164SC..Hα-helixtrans-59.9-46.8178.600000112.3S89 Y115 L120 N121S89-G117 VanDerWaalsContact CB-C 3.42Å; S89-G117 PolarHBondContact OG-O 3.08Å; Y115-G117 VanDerWaalsContact C-N 3.34Å; Y115-G117 PolarHBondContact O-N 3.37Å; G117-L120 PolarHBondContact O-N 3.48Å; G117-N121 PolarHBondContact O-N 3.11Å; G117-N121 PolarHBondContact O-ND2 3.42Å
118D97.2Very high97.5Very high4 Ų436.7 Ų36.72%0.02119%0.187CC..Hα-helixtrans-64.9-46.9-180-58.9-82000111.2G61 S89 V112 I113 Y115 L120 N121 F122G61-D118 WeakPolarHBondContact CA-OD1 3.38Å; S89-D118 WeakPolarHBondContact OG-CA 3.37Å; V112-D118 HydrophobicContact CG1-CB 3.84Å; I113-D118 HydrophobicContact CG1-CB 4.21Å; Y115-D118 WeakPolarHBondContact CB-OD2 3.37Å; Y115-D118 PolarHBondContact O-N 2.94Å; D118-L120 VanDerWaalsContact C-N 3.27Å; D118-L120 PolarHBondContact O-N 3.19Å; D118-N121 PolarHBondContact O-N 2.93Å; D118-F122 HydrophobicContact CB-CD2 4.27Å; D118-F122 VanDerWaalsContact O-CB 3.25Å; D118-F122 WeakPolarHBondContact O-CB 3.33Å; D118-F122 VanDerWaalsContact O-CD2 3.3Å; D118-F122 WeakPolarHBondContact O-CD2 3.41Å; D118-F122 PolarHBondContact O-N 3.1Å
119R97Very high97.5Very high105 Ų10536.7 Ų36.740%0.39619%0.187SC..Hα-helixtrans-56.4-41.1176.1-78.617449.71741.3113.2N114 Y115 T116 G123 I142 A156N114-R119 WeakPolarHBondContact OD1-CD 3.43Å; N114-R119 PolarHBondContact OD1-NH1 3.43Å; Y115-R119 WeakPolarHBondContact O-CB 3.44Å; Y115-R119 WeakPolarHBondContact O-CG 3.45Å; Y115-R119 PolarHBondContact O-N 2.94Å; T116-R119 PolarHBondContact O-N 3.03Å; R119-G123 WeakPolarHBondContact O-CA 3.37Å; R119-G123 PolarHBondContact O-N 3.29Å; R119-I142 HydrophobicContact CG-CD1 4.07Å; R119-I142 HydrophobicContact CG-CG2 4.44Å; R119-A156 PolarHBondContact NH1-O 3.41Å
120L98.1Very high97.5Very high108 Ų10841.2 Ų41.257%0.56521%0.206SC*.Hα-helixtrans-71-50.9179.8-69173.6000111.4T116 G117 D118 G123 I124T116-L120 HydrophobicContact CG2-CD1 3.98Å; T116-L120 HydrophobicContact CG2-CG 4.5Å; T116-L120 VanDerWaalsContact O-CG 3.26Å; T116-L120 WeakPolarHBondContact O-CG 3.41Å; T116-L120 PolarHBondContact O-N 3.27Å; T116-L120 VanDerWaalsContact O-N 3.08Å; G117-L120 PolarHBondContact O-N 3.48Å; D118-L120 VanDerWaalsContact C-N 3.27Å; D118-L120 PolarHBondContact O-N 3.19Å; L120-G123 PolarHBondContact O-N 3.36Å; L120-I124 VanDerWaalsContact O-CG1 3.26Å; L120-I124 WeakPolarHBondContact O-CG1 3.06Å; L120-I124 PolarHBondContact O-N 3.4Å
121N98.7Very high97.5Very high43 Ų4348.8 Ų48.823%0.2324%0.241CC..Hα-helixtrans-69.3-43.3-176.8-75.3-73000112.6S89 P90 A92 I95 G117 D118 G123 I124 A125S89-N121 WeakPolarHBondContact OG-CB 3.32Å; S89-N121 PolarHBondContact OG-ND2 3.11Å; P90-N121 WeakPolarHBondContact O-CB 3.44Å; P90-N121 VanDerWaalsContact O-CG 3.3Å; A92-N121 WeakPolarHBondContact CB-O 3.28Å; I95-N121 HydrophobicContact CD1-CB 3.87Å; G117-N121 PolarHBondContact O-N 3.11Å; G117-N121 PolarHBondContact O-ND2 3.42Å; D118-N121 PolarHBondContact O-N 2.93Å; N121-G123 VanDerWaalsContact C-N 3.33Å; N121-I124 PolarHBondContact O-N 3.11Å; N121-A125 WeakPolarHBondContact O-CB 3.29Å; N121-A125 PolarHBondContact O-N 3.01Å
122F98.7Very high97.4Very high1 Ų153.9 Ų53.90%0.00427%0.268CS..Hα-helixtrans-66.4-36173.8-79.2-95.9000111.7P90 I95 I110 V112 D118 A125 F126 M140P90-F122 HydrophobicContact CG-CE2 3.75Å; P90-F122 HydrophobicContact CG-CZ 4.13Å; I95-F122 HydrophobicContact CD1-CB 4.35Å; I95-F122 HydrophobicContact CD1-CD1 4Å; I95-F122 HydrophobicContact CD1-CD2 3.47Å; I95-F122 VanDerWaalsContact CD1-CD2 3.47Å; I95-F122 HydrophobicContact CD1-CE1 4.16Å; I95-F122 HydrophobicContact CD1-CE2 3.64Å; I95-F122 HydrophobicContact CD1-CG 3.68Å; I95-F122 HydrophobicContact CD1-CZ 3.98Å; I95-F122 HydrophobicContact CG1-CD1 4.3Å; I95-F122 HydrophobicContact CG1-CD2 4.36Å; I95-F122 HydrophobicContact CG1-CE1 4.08Å; I95-F122 HydrophobicContact CG1-CE2 4.13Å; I95-F122 HydrophobicContact CG1-CG 4.45Å; I95-F122 HydrophobicContact CG1-CZ 3.98Å; I95-F122 HydrophobicContact CG2-CD1 3.53Å; I95-F122 HydrophobicContact CG2-CE1 3.67Å; I95-F122 HydrophobicContact CG2-CG 4.22Å; I95-F122 HydrophobicContact CG2-CZ 4.42Å; I110-F122 HydrophobicContact CG2-CD1 3.51Å; I110-F122 HydrophobicContact CG2-CE1 4.07Å; V112-F122 HydrophobicContact CG1-CB 4.05Å; V112-F122 HydrophobicContact CG1-CD2 4.01Å; V112-F122 HydrophobicContact CG1-CG 4.04Å; V112-F122 HydrophobicContact CG2-CB 3.69Å; V112-F122 HydrophobicContact CG2-CD1 3.84Å; V112-F122 HydrophobicContact CG2-CD2 4.46Å; V112-F122 HydrophobicContact CG2-CG 3.75Å; D118-F122 HydrophobicContact CB-CD2 4.27Å; D118-F122 VanDerWaalsContact O-CB 3.25Å; D118-F122 WeakPolarHBondContact O-CB 3.33Å; D118-F122 VanDerWaalsContact O-CD2 3.3Å; D118-F122 WeakPolarHBondContact O-CD2 3.41Å; D118-F122 PolarHBondContact O-N 3.1Å; F122-A125 PolarHBondContact O-N 2.79Å; F122-F126 WeakPolarHBondContact O-CB 3.46Å; F122-F126 PolarHBondContact O-N 2.92Å; F122-M140 HydrophobicContact CB-SD 4.36Å
123G98.6Very high97.4Very high18 Ų1855.2 Ų55.219%0.18628%0.275CS..Hα-helixtrans-62.8-43.3173.900000113R119 L120 N121 F126 E127R119-G123 WeakPolarHBondContact O-CA 3.37Å; R119-G123 PolarHBondContact O-N 3.29Å; L120-G123 PolarHBondContact O-N 3.36Å; N121-G123 VanDerWaalsContact C-N 3.33Å; G123-F126 PolarHBondContact O-N 2.98Å; G123-E127 PolarHBondContact O-N 3.01Å
124I98.8Very high97.3Very high75 Ų7559.8 Ų59.839%0.38531%0.305SS..Hα-helixtrans-61.8-46.7174.2-68.8163.2000110.5A92 L120 N121 F126 R128A92-I124 HydrophobicContact CB-CB 3.91Å; A92-I124 HydrophobicContact CB-CG2 3.64Å; L120-I124 VanDerWaalsContact O-CG1 3.26Å; L120-I124 WeakPolarHBondContact O-CG1 3.06Å; L120-I124 PolarHBondContact O-N 3.4Å; N121-I124 PolarHBondContact O-N 3.11Å; I124-F126 VanDerWaalsContact C-N 3.33Å; I124-F126 PolarHBondContact O-N 3.2Å; I124-R128 WeakPolarHBondContact O-CB 3.38Å; I124-R128 VanDerWaalsContact O-CG 3.29Å; I124-R128 WeakPolarHBondContact O-CG 3.44Å; I124-R128 PolarHBondContact O-N 3.13Å
125A98.8Very high97.4Very high0 Ų066.3 Ų66.30%034%0.339CS..Hα-helixtrans-62.8-40.117800000112A92 I95 L96 I99 N121 F122 R128 A129A92-A125 HydrophobicContact CB-CB 4.37Å; A92-A125 WeakPolarHBondContact O-CB 3.3Å; I95-A125 HydrophobicContact CB-CB 3.64Å; I95-A125 HydrophobicContact CG2-CB 3.45Å; I95-A125 VanDerWaalsContact CG2-CB 3.45Å; L96-A125 HydrophobicContact CB-CB 4.43Å; I99-A125 HydrophobicContact CD1-CB 4.45Å; N121-A125 WeakPolarHBondContact O-CB 3.29Å; N121-A125 PolarHBondContact O-N 3.01Å; F122-A125 PolarHBondContact O-N 2.79Å; A125-R128 PolarHBondContact O-N 2.78Å; A125-A129 WeakPolarHBondContact O-CB 3.46Å; A125-A129 PolarHBondContact O-N 2.82Å
126F98.7Very high97.6Very high28 Ų2866.3 Ų66.312%0.12334%0.341CS..Hα-helixtrans-62.1-49.9177.7-179-101.2000112.4I110 F122 G123 I124 R128 A129 K130 L138 M140I110-F126 HydrophobicContact CD1-CD2 3.73Å; I110-F126 HydrophobicContact CD1-CE2 4.43Å; F122-F126 WeakPolarHBondContact O-CB 3.46Å; F122-F126 PolarHBondContact O-N 2.92Å; G123-F126 PolarHBondContact O-N 2.98Å; I124-F126 VanDerWaalsContact C-N 3.33Å; I124-F126 PolarHBondContact O-N 3.2Å; F126-R128 PolarHBondContact O-N 3.46Å; F126-A129 PolarHBondContact O-N 3.21Å; F126-K130 HydrophobicContact CD1-CD 3.84Å; F126-K130 HydrophobicContact CE1-CD 3.4Å; F126-K130 VanDerWaalsContact CE1-CD 3.4Å; F126-K130 HydrophobicContact CE1-CG 4.41Å; F126-K130 HydrophobicContact CZ-CD 3.81Å; F126-K130 HydrophobicContact CZ-CG 4.5Å; F126-K130 WeakPolarHBondContact O-CG 3.45Å; F126-K130 PolarHBondContact O-N 2.94Å; F126-L138 HydrophobicContact CD2-CB 4.29Å; F126-L138 HydrophobicContact CE2-CB 3.66Å; F126-L138 HydrophobicContact CZ-CB 4.39Å; F126-M140 HydrophobicContact CB-SD 4.28Å; F126-M140 HydrophobicContact CD2-CB 3.94Å; F126-M140 HydrophobicContact CE2-CB 3.91Å; F126-M140 HydrophobicContact CG-CB 4.45Å; F126-M140 HydrophobicContact CG-SD 4.43Å; F126-M140 HydrophobicContact CZ-CB 4.41Å
127E98.6Very high97.9Very high110 Ų11064.8 Ų64.851%0.51433%0.333SS..Hα-helixtrans-66.9-36.7178.3-68.9-56.214800112.2G123 K130 H131G123-E127 PolarHBondContact O-N 3.01Å; E127-K130 IonicContact OE1-NZ 3.11Å; E127-K130 PolarHBondContact OE1-NZ 3.42Å; E127-K130 VanDerWaalsContact OE1-NZ 3.17Å; E127-K130 IonicContact OE2-NZ 3.45Å; E127-K130 PolarHBondContact OE2-NZ 2.96Å; E127-H131 PolarHBondContact O-N 3.49Å
128R98.7Very high98.1Very high127 Ų12764.4 Ų64.448%0.47932%0.323SS..Hα-helixtrans-64.5-43.1172.4-72.8176179.2177.60.4111.9L96 I124 A125 F126 H131 L132L96-R128 HydrophobicContact CD1-CB 4.41Å; L96-R128 HydrophobicContact CD2-CB 4.16Å; I124-R128 WeakPolarHBondContact O-CB 3.38Å; I124-R128 VanDerWaalsContact O-CG 3.29Å; I124-R128 WeakPolarHBondContact O-CG 3.44Å; I124-R128 PolarHBondContact O-N 3.13Å; A125-R128 PolarHBondContact O-N 2.78Å; F126-R128 PolarHBondContact O-N 3.46Å; R128-H131 PolarHBondContact O-N 2.89Å; R128-L132 WeakPolarHBondContact O-CB 3.48Å; R128-L132 WeakPolarHBondContact O-CG 3.3Å; R128-L132 PolarHBondContact O-N 3.18Å
129A98.7Very high98.2Very high0 Ų067.1 Ų67.10%034%0.336CS..Hα-helixtrans-63.2-42.4178.100000111.6L96 I99 A125 F126 H131 L132 L133 L138L96-A129 HydrophobicContact CD1-CB 3.78Å; I99-A129 HydrophobicContact CD1-CB 4.15Å; I99-A129 HydrophobicContact CG2-CB 4.02Å; A125-A129 WeakPolarHBondContact O-CB 3.46Å; A125-A129 PolarHBondContact O-N 2.82Å; F126-A129 PolarHBondContact O-N 3.21Å; A129-H131 PolarHBondContact O-N 3.45Å; A129-L132 PolarHBondContact O-N 3.36Å; A129-L133 WeakPolarHBondContact O-CA 3.22Å; A129-L133 VanDerWaalsContact O-CB 3.29Å; A129-L133 WeakPolarHBondContact O-CB 2.94Å; A129-L133 PolarHBondContact O-N 2.71Å; A129-L138 HydrophobicContact CB-CD1 3.6Å
130K98.3Very high98.3Very high95 Ų9564.6 Ų64.641%0.41333%0.329SS..Hα-helixtrans-57.5-37.8173.7-77169.958.8-1570112.7F126 E127 L138F126-K130 HydrophobicContact CD1-CD 3.84Å; F126-K130 HydrophobicContact CE1-CD 3.4Å; F126-K130 VanDerWaalsContact CE1-CD 3.4Å; F126-K130 HydrophobicContact CE1-CG 4.41Å; F126-K130 HydrophobicContact CZ-CD 3.81Å; F126-K130 HydrophobicContact CZ-CG 4.5Å; F126-K130 WeakPolarHBondContact O-CG 3.45Å; F126-K130 PolarHBondContact O-N 2.94Å; E127-K130 IonicContact OE1-NZ 3.11Å; E127-K130 PolarHBondContact OE1-NZ 3.42Å; E127-K130 VanDerWaalsContact OE1-NZ 3.17Å; E127-K130 IonicContact OE2-NZ 3.45Å; E127-K130 PolarHBondContact OE2-NZ 2.96Å; K130-L138 HydrophobicContact CG-CD1 3.95Å
131H97.9Very high98.3Very high159 Ų15959.6 Ų59.674%0.73630%0.303SS*.Hα-helixtrans-73.8-44.1178.2-176.758000112.8E127 R128 A129E127-H131 PolarHBondContact O-N 3.49Å; R128-H131 PolarHBondContact O-N 2.89Å; A129-H131 PolarHBondContact O-N 3.45Å
132L98.3Very high98.3Very high108 Ų10860.4 Ų60.457%0.56531%0.307SS*.Hα-helixtrans-81.2-25-175-66170.7000113.4L96 R128 A129 P134L96-L132 HydrophobicContact CD1-CD1 4.4Å; L96-L132 HydrophobicContact CD2-CD1 3.86Å; R128-L132 WeakPolarHBondContact O-CB 3.48Å; R128-L132 WeakPolarHBondContact O-CG 3.3Å; R128-L132 PolarHBondContact O-N 3.18Å; A129-L132 PolarHBondContact O-N 3.36Å; L132-P134 VanDerWaalsContact C-CD 3.44Å; L132-P134 WeakPolarHBondContact O-CD 3.48Å
133L97.6Very high98.2Very high27 Ų2760.4 Ų60.414%0.14131%0.307CS..  trans-125.460.6-174.8-54.1172.8000111I99 Q103 A129 N135 V136I99-L133 HydrophobicContact CG2-CD1 4.1Å; Q103-L133 HydrophobicContact CG-CD1 4.25Å; A129-L133 WeakPolarHBondContact O-CA 3.22Å; A129-L133 VanDerWaalsContact O-CB 3.29Å; A129-L133 WeakPolarHBondContact O-CB 2.94Å; A129-L133 PolarHBondContact O-N 2.71Å; L133-N135 PolarHBondContact O-N 3.03Å; L133-V136 HydrophobicContact CB-CB 4.01Å; L133-V136 HydrophobicContact CB-CG2 3.86Å; L133-V136 PolarHBondContact O-N 3.43Å
134P96.1Very high98.1Very high98 Ų9860.1 Ų60.164%0.63630%0.304SS*.THydrogen-bonded Turntrans-63.1-16.7-170.626.1-36.4000114.7L132L132-P134 VanDerWaalsContact C-CD 3.44Å; L132-P134 WeakPolarHBondContact O-CD 3.48Å
135N96.6Very high98Very high149 Ų14956.6 Ų56.680%0.79729%0.286SS*.THydrogen-bonded Turntrans-99.32.5179.8-61.7-37.1000113.6L133L133-N135 PolarHBondContact O-N 3.03Å
136V98.1Very high97.8Very high18 Ų1856.8 Ų56.811%0.10929%0.287CS..SBendtrans-101.9118179.11790000108.7Q103 V108 L133 L138Q103-V136 HydrophobicContact CB-CG1 3.88Å; Q103-V136 HydrophobicContact CB-CG2 4.1Å; Q103-V136 HydrophobicContact CG-CG2 4.31Å; V108-V136 HydrophobicContact CG2-CG1 4.24Å; L133-V136 HydrophobicContact CB-CB 4.01Å; L133-V136 HydrophobicContact CB-CG2 3.86Å; L133-V136 PolarHBondContact O-N 3.43Å; V136-L138 HydrophobicContact CG1-CD2 3.84Å; V136-L138 HydrophobicContact CG1-CG 4.35Å; V136-L138 PolarHBondContact O-N 3.3Å
137P98.5Very high97.7Very high56 Ų5655.4 Ų55.436%0.36428%0.281SS..  trans-63.6130.2171.8-21.733.7000110.8G107 V108 L181G107-P137 CarbonylContact C-O 3.44Å; G107-P137 WeakPolarHBondContact CA-O 3.43Å; V108-P137 PolarHBondContact N-O 3.23Å; P137-L181 HydrophobicContact CB-CD2 3.55Å; P137-L181 WeakPolarHBondContact O-CD2 3.11Å
138L98.8Very high97.5Very high24 Ų2450.3 Ų50.313%0.12626%0.258CS..EExtended strand (participates in β ladder)trans-128.8129.5-179.7-60.7173.8000110.1I99 V108 F126 A129 K130 V136I99-L138 HydrophobicContact CG2-CD2 4.12Å; V108-L138 HydrophobicContact CB-CD2 3.71Å; V108-L138 HydrophobicContact CG2-CD2 4.01Å; F126-L138 HydrophobicContact CD2-CB 4.29Å; F126-L138 HydrophobicContact CE2-CB 3.66Å; F126-L138 HydrophobicContact CZ-CB 4.39Å; A129-L138 HydrophobicContact CB-CD1 3.6Å; K130-L138 HydrophobicContact CG-CD1 3.95Å; V136-L138 HydrophobicContact CG1-CD2 3.84Å; V136-L138 HydrophobicContact CG1-CG 4.35Å; V136-L138 PolarHBondContact O-N 3.3Å
139E98.7Very high96.9Very high60 Ų6047.2 Ų47.228%0.2825%0.25SS..EExtended strand (participates in β ladder)trans-123.6142.3169.2-79.7-82.816900109.1V108 L109 I110 L181 A185 R189V108-E139 PolarHBondContact O-N 3.08Å; V108-E139 VanDerWaalsContact O-N 3.13Å; L109-E139 HydrophobicContact CD1-CB 3.88Å; I110-E139 PolarHBondContact N-O 3.48Å; E139-L181 HydrophobicContact CB-CD1 4Å; E139-L181 HydrophobicContact CB-CD2 4.31Å; E139-L181 HydrophobicContact CB-CG 4.13Å; E139-L181 HydrophobicContact CG-CD1 4.28Å; E139-L181 HydrophobicContact CG-CD2 3.98Å; E139-L181 HydrophobicContact CG-CG 3.84Å; E139-A185 HydrophobicContact CB-CB 3.95Å; E139-A185 HydrophobicContact CG-CB 3.92Å; E139-R189 IonicContact OE2-CZ 2.86Å; E139-R189 IonicContact OE2-NH1 2.76Å; E139-R189 IonicContact OE2-NH2 3.42Å; E139-R189 PolarHBondContact OE2-NH2 2.65Å
140M98.7Very high95.7Very high52 Ų5251.8 Ų51.826%0.25627%0.272SS..EExtended strand (participates in β ladder)trans-121.7129.4174.2-173.2176.567.300109.5I110 V112 F122 F126 I142I110-M140 HydrophobicContact CB-CB 4.43Å; I110-M140 HydrophobicContact CB-CG 4.32Å; I110-M140 HydrophobicContact CG2-CG 4.19Å; I110-M140 CarbonylContact O-C 3.53Å; I110-M140 WeakPolarHBondContact O-CA 3.42Å; V112-M140 HydrophobicContact CG2-CG 3.78Å; V112-M140 HydrophobicContact CG2-SD 3.94Å; F122-M140 HydrophobicContact CB-SD 4.36Å; F126-M140 HydrophobicContact CB-SD 4.28Å; F126-M140 HydrophobicContact CD2-CB 3.94Å; F126-M140 HydrophobicContact CE2-CB 3.91Å; F126-M140 HydrophobicContact CG-CB 4.45Å; F126-M140 HydrophobicContact CG-SD 4.43Å; F126-M140 HydrophobicContact CZ-CB 4.41Å; M140-I142 HydrophobicContact CE-CD1 4.18Å; M140-I142 HydrophobicContact CG-CD1 4.34Å; M140-I142 HydrophobicContact SD-CD1 4.38Å
141V98.7Very high93.9Very high4 Ų451 Ų512%0.02428%0.278CS..EExtended strand (participates in β ladder)trans-123.3122.9178.1177.10000109.4L109 I110 L111 V112 A185 A188 R189 I192L109-V141 HydrophobicContact CD1-CG2 3.86Å; I110-V141 PolarHBondContact O-N 3.09Å; L111-V141 HydrophobicContact CD2-CB 4.2Å; V112-V141 PolarHBondContact N-O 3.04Å; V141-A185 HydrophobicContact CG2-CB 4.14Å; V141-A188 HydrophobicContact CB-CB 4.35Å; V141-A188 HydrophobicContact CG1-CB 3.95Å; V141-A188 HydrophobicContact CG2-CB 4.26Å; V141-R189 HydrophobicContact CG1-CG 4Å; V141-R189 HydrophobicContact CG2-CG 4.29Å; V141-I192 HydrophobicContact CG1-CD1 3.52Å
142I98.2Very high91.6Very high60 Ų6047.4 Ų47.431%0.30828%0.276SS..EExtended strand (participates in β ladder)trans-86.4122.2175.7-52.1-53.3000109.1V112 N114 R119 M140V112-I142 HydrophobicContact CB-CD1 3.72Å; V112-I142 HydrophobicContact CG1-CD1 4.12Å; V112-I142 HydrophobicContact CG2-CD1 4.16Å; V112-I142 CarbonylContact O-C 3.55Å; V112-I142 WeakPolarHBondContact O-CA 3.39Å; N114-I142 HydrophobicContact CB-CG2 3.58Å; R119-I142 HydrophobicContact CG-CD1 4.07Å; R119-I142 HydrophobicContact CG-CG2 4.44Å; M140-I142 HydrophobicContact CE-CD1 4.18Å; M140-I142 HydrophobicContact CG-CD1 4.34Å; M140-I142 HydrophobicContact SD-CD1 4.38Å
143M97.7Very high89.4Confident0 Ų047.8 Ų47.80%028%0.278CS..EExtended strand (participates in β ladder)trans-95.5109.6-180-58.6-176.1-64.900109.7L111 V112 I113 N114 G160 V167 I192L111-M143 HydrophobicContact CB-CE 3.82Å; L111-M143 HydrophobicContact CB-SD 4Å; L111-M143 HydrophobicContact CD2-SD 4.39Å; V112-M143 PolarHBondContact O-N 3.09Å; I113-M143 HydrophobicContact CG2-CE 3.99Å; N114-M143 VanDerWaalsContact CB-O 3.32Å; N114-M143 WeakPolarHBondContact CB-O 3.3Å; N114-M143 PolarHBondContact N-O 3.43Å; M143-G160 WeakPolarHBondContact O-CA 3.19Å; M143-V167 HydrophobicContact SD-CB 3.82Å; M143-V167 HydrophobicContact SD-CG1 3.9Å; M143-V167 HydrophobicContact SD-CG2 4.13Å; M143-I192 HydrophobicContact CB-CD1 4.28Å; M143-I192 HydrophobicContact CB-CG1 4.45Å; M143-I192 HydrophobicContact CG-CD1 3.88Å; M143-I192 HydrophobicContact CG-CG1 4.3Å
144G95.6Very high87Confident13 Ų1357.1 Ų57.113%0.13432%0.318CS..  trans-140.4107.3179.700000110.8R158 R159G144-R158 WeakPolarHBondContact CA-O 3.49Å; G144-R159 CarbonylContact C-O 3.37Å; G144-R159 WeakPolarHBondContact CA-O 3.36Å
145E96.1Very high85.3Confident1 Ų155.8 Ų55.81%0.00531%0.311CS..  trans-139.13.3-168.959.275.3-142.100113.8C147 R158 R159 L161 A163 G196 T197E145-C147 PolarHBondContact O-N 3.49Å; E145-R158 PolarHBondContact O-NH2 2.67Å; E145-R159 PolarHBondContact N-O 3.45Å; E145-L161 VanDerWaalsContact OE1-CA 3.29Å; E145-L161 WeakPolarHBondContact OE1-CA 3.49Å; E145-L161 VanDerWaalsContact OE1-CB 3.27Å; E145-L161 WeakPolarHBondContact OE1-CB 3.43Å; E145-L161 PolarHBondContact OE1-N 3.05Å; E145-A163 HydrophobicContact CG-CB 3.86Å; E145-A163 PolarHBondContact OE1-N 3.11Å; E145-A163 WeakPolarHBondContact OE2-CB 3.33Å; E145-G196 VanDerWaalsContact O-CA 3.3Å; E145-G196 WeakPolarHBondContact O-CA 3.5Å; E145-G196 VanDerWaalsContact OE2-CA 3.23Å; E145-G196 WeakPolarHBondContact OE2-CA 3.25Å; E145-T197 PolarHBondContact O-N 3.36Å; E145-T197 WeakPolarHBondContact OE1-CB 3.2Å; E145-T197 PolarHBondContact OE1-OG1 3.43Å; E145-T197 WeakPolarHBondContact OE2-CA 3.36Å; E145-T197 WeakPolarHBondContact OE2-CB 3.49Å; E145-T197 PolarHBondContact OE2-N 3.15Å; E145-T197 PolarHBondContact OE2-OG1 2.94Å
146D96Very high84Confident3 Ų350.8 Ų50.82%0.01629%0.29CS..BIsolated β-bridgetrans-56.3131.2171.8-178.713.1000112.8A148 R158 R159 L161D146-A148 WeakPolarHBondContact OD1-CB 3.3Å; D146-A148 PolarHBondContact OD1-N 2.8Å; D146-R158 WeakPolarHBondContact O-CG 3.46Å; D146-R158 PolarHBondContact O-NE 3.42Å; D146-R159 HydrophobicContact CB-CB 3.9Å; D146-R159 VanDerWaalsContact CB-O 3.31Å; D146-R159 WeakPolarHBondContact CB-O 3.31Å; D146-R159 PolarHBondContact N-O 3.08Å; D146-R159 IonicContact OD1-NH2 3.15Å; D146-R159 IonicContact OD2-CZ 2.71Å; D146-R159 IonicContact OD2-NE 3.87Å; D146-R159 PolarHBondContact OD2-NE 3.34Å; D146-R159 IonicContact OD2-NH2 3.14Å; D146-R159 PolarHBondContact OD2-NH2 3.23Å; D146-L161 HydrophobicContact CB-CD1 3.66Å; D146-L161 HydrophobicContact CB-CG 4.05Å
147C96.1Very high83.3Confident0 Ų052 Ų520%031%0.307CS..  trans-102.41.3179.1-65.80000113.7E145 R158 T197 H251 M252 T259E145-C147 PolarHBondContact O-N 3.49Å; C147-R158 PolarHBondContact SG-NH2 3.34Å; C147-T197 WeakPolarHBondContact CB-O 3.29Å; C147-T197 PolarHBondContact N-O 3.23Å; C147-H251 PolarHBondContact O-CD2 3.28Å; C147-H251 PolarHBondContact O-NE2 2.8Å; C147-M252 HydrophobicContact CB-CB 4.2Å; C147-M252 HydrophobicContact CB-CG 3.68Å; C147-T259 PolarHBondContact SG-O 3.16Å
148A93.8Very high83Confident3 Ų352.6 Ų52.63%0.02530%0.302CS..SBendtrans-71.3-58.2-177.700000112.5D146 G224 V233 H251D146-A148 WeakPolarHBondContact OD1-CB 3.3Å; D146-A148 PolarHBondContact OD1-N 2.8Å; A148-G224 VanDerWaalsContact CB-O 3.32Å; A148-G224 WeakPolarHBondContact CB-O 3.45Å; A148-V233 HydrophobicContact CB-CG2 3.79Å; A148-V233 WeakPolarHBondContact O-CG2 3.12Å; A148-H251 PolarHBondContact O-NE2 3.04Å
149L86.8Confident82.8Confident62 Ų6252.4 Ų52.433%0.32530%0.299SS..SBendtrans-90.4142.5-168.5-56.5178000111.6T259L149-T259 WeakPolarHBondContact O-CB 3.25Å; L149-T259 WeakPolarHBondContact O-CG2 3.23Å; L149-T259 PolarHBondContact O-OG1 3.3Å
150Q73.8Confident82.6Confident96 Ų9649.5 Ų49.545%0.44929%0.286SS..  trans-84.2142174-67-170-0.200110.8A152 D153Q150-A152 PolarHBondContact O-N 2.96Å; Q150-A152 VanDerWaalsContact O-N 3.08Å; Q150-D153 PolarHBondContact O-N 2.84Å
151S60.7Low82.6Confident78 Ų7847.4 Ų47.455%0.54528%0.275SS..THydrogen-bonded Turntrans-64.1-13.6-179.158.70000114.9D153 T258S151-D153 VanDerWaalsContact C-N 3.28Å; S151-D153 PolarHBondContact O-N 3.37Å; S151-T258 PolarHBondContact OG-OG1 2.87Å; S151-T258 VanDerWaalsContact OG-OG1 3.05Å
152A49.3Very low82.6Confident83 Ų8347.2 Ų47.269%0.68628%0.275SS*.THydrogen-bonded Turntrans-73.1-19.4-176.700000113.2Q150 K154Q150-A152 PolarHBondContact O-N 2.96Å; Q150-A152 VanDerWaalsContact O-N 3.08Å; A152-K154 PolarHBondContact O-N 3.18Å
153D50.8Low82.6Confident116 Ų11644.4 Ų44.462%0.6226%0.26SS*.SBendtrans-76.1122.5164.8-68.5-31.6000107.6Q150 S151 S155Q150-D153 PolarHBondContact O-N 2.84Å; S151-D153 VanDerWaalsContact C-N 3.28Å; S151-D153 PolarHBondContact O-N 3.37Å; D153-S155 WeakPolarHBondContact O-CA 3.2Å; D153-S155 WeakPolarHBondContact O-CB 3.33Å; D153-S155 PolarHBondContact O-N 2.77Å; D153-S155 PolarHBondContact O-OG 2.95Å
154K48.9Very low82.6Confident224 Ų22444.4 Ų44.497%0.97426%0.26SS*.SBendtrans-57.266.8-170.5-64.6175.8176.4177.30113.7A152A152-K154 PolarHBondContact O-N 3.18Å
155S58.8Low82.7Confident69 Ų6943.8 Ų43.848%0.48325%0.254SS..  trans-120163.7-158.863.20000112.5D153 G157D153-S155 WeakPolarHBondContact O-CA 3.2Å; D153-S155 WeakPolarHBondContact O-CB 3.33Å; D153-S155 PolarHBondContact O-N 2.77Å; D153-S155 PolarHBondContact O-OG 2.95Å; S155-G157 PolarHBondContact O-N 3.22Å
156A69.2Low82.9Confident45 Ų4543.8 Ų43.837%0.37225%0.254SS..SBendtrans-64.710.3-177.300000115.3N114 R119N114-A156 PolarHBondContact ND2-O 3.28Å; N114-A156 PolarHBondContact OD1-O 3.27Å; R119-A156 PolarHBondContact NH1-O 3.41Å
157G83.6Confident83Confident44 Ų4443.6 Ų43.645%0.45425%0.253SS..SBendtrans88.5-179.5-172.300000113S155 R159S155-G157 PolarHBondContact O-N 3.22Å; G157-R159 PolarHBondContact O-N 3.19Å
158R93Very high83.1Confident68 Ų6843.6 Ų43.626%0.25725%0.253SS..SBendtrans-61.4130.4-179.7-65.217073.8-171.83.5110.6N114 G144 E145 D146 C147 T259N114-R158 VanDerWaalsContact CB-O 3.24Å; N114-R158 WeakPolarHBondContact CB-O 3.33Å; N114-R158 PolarHBondContact ND2-O 3.35Å; G144-R158 WeakPolarHBondContact CA-O 3.49Å; E145-R158 PolarHBondContact O-NH2 2.67Å; D146-R158 WeakPolarHBondContact O-CG 3.46Å; D146-R158 PolarHBondContact O-NE 3.42Å; C147-R158 PolarHBondContact SG-NH2 3.34Å; R158-T259 HydrophobicContact CG-CG2 3.79Å
159R94Very high83.3Confident19 Ų1943.5 Ų43.57%0.07225%0.252CS..  trans-61.8151.9176.1-63.9173.6-66.6-164.31.7110.8Y115 G144 E145 D146 G157 L161 G224 G226 P231Y115-R159 HydrophobicContact CE1-CB 4.45Å; Y115-R159 HydrophobicContact CE1-CG 4.01Å; Y115-R159 HydrophobicContact CE2-CB 4.18Å; G144-R159 CarbonylContact C-O 3.37Å; G144-R159 WeakPolarHBondContact CA-O 3.36Å; E145-R159 PolarHBondContact N-O 3.45Å; D146-R159 HydrophobicContact CB-CB 3.9Å; D146-R159 VanDerWaalsContact CB-O 3.31Å; D146-R159 WeakPolarHBondContact CB-O 3.31Å; D146-R159 PolarHBondContact N-O 3.08Å; D146-R159 IonicContact OD1-NH2 3.15Å; D146-R159 IonicContact OD2-CZ 2.71Å; D146-R159 IonicContact OD2-NE 3.87Å; D146-R159 PolarHBondContact OD2-NE 3.34Å; D146-R159 IonicContact OD2-NH2 3.14Å; D146-R159 PolarHBondContact OD2-NH2 3.23Å; G157-R159 PolarHBondContact O-N 3.19Å; R159-L161 HydrophobicContact CB-CD2 4.08Å; R159-L161 HydrophobicContact CB-CG 4.35Å; R159-G224 PolarHBondContact NH2-O 3.46Å; R159-G226 VanDerWaalsContact NH1-CA 3.31Å; R159-P231 PolarHBondContact NH1-O 2.71Å
160G95.7Very high83.9Confident0 Ų040.6 Ų40.60%024%0.237CC..  trans-90112.1171.500000110.2M143M143-G160 WeakPolarHBondContact O-CA 3.19Å
161L97.3Very high85.1Confident7 Ų736 Ų364%0.03722%0.215CC..  trans-120.1-151.2-178.8-47.6175.2000109.9E145 D146 R159 A163 S164 T197 I227E145-L161 VanDerWaalsContact OE1-CA 3.29Å; E145-L161 WeakPolarHBondContact OE1-CA 3.49Å; E145-L161 VanDerWaalsContact OE1-CB 3.27Å; E145-L161 WeakPolarHBondContact OE1-CB 3.43Å; E145-L161 PolarHBondContact OE1-N 3.05Å; D146-L161 HydrophobicContact CB-CD1 3.66Å; D146-L161 HydrophobicContact CB-CG 4.05Å; R159-L161 HydrophobicContact CB-CD2 4.08Å; R159-L161 HydrophobicContact CB-CG 4.35Å; L161-A163 VanDerWaalsContact C-N 3.34Å; L161-A163 PolarHBondContact O-N 3.04Å; L161-S164 WeakPolarHBondContact O-CB 3.37Å; L161-S164 PolarHBondContact O-N 2.84Å; L161-S164 PolarHBondContact O-OG 3.48Å; L161-T197 HydrophobicContact CB-CG2 3.92Å; L161-T197 HydrophobicContact CD1-CG2 4.1Å; L161-I227 HydrophobicContact CD2-CB 4.39Å; L161-I227 HydrophobicContact CD2-CG1 4.1Å; L161-I227 HydrophobicContact CD2-CG2 3.79Å
162A98.3Very high86.9Confident1 Ų132.3 Ų32.31%0.00819%0.189CC..THydrogen-bonded Turntrans-63.6-26.6-167.800000114.9S164 L165 T197 L272 N274 S322A162-S164 PolarHBondContact O-N 3.26Å; A162-L165 VanDerWaalsContact O-CB 3.31Å; A162-L165 WeakPolarHBondContact O-CB 3.49Å; A162-L165 VanDerWaalsContact O-CG 3.31Å; A162-L165 WeakPolarHBondContact O-CG 3.48Å; A162-L165 PolarHBondContact O-N 3.18Å; A162-L165 VanDerWaalsContact O-N 3.08Å; A162-T197 HydrophobicContact CB-CG2 4.39Å; A162-L272 HydrophobicContact CB-CD2 4.13Å; A162-N274 HydrophobicContact CB-CB 4.01Å; A162-S322 WeakPolarHBondContact CB-OG 3.36Å
163A98.5Very high89.2Confident0 Ų028.9 Ų28.90%016%0.161CC..THydrogen-bonded Turntrans-70.6-1517600000112.8E145 L161 L165 F166 C195 T197 S322E145-A163 HydrophobicContact CG-CB 3.86Å; E145-A163 PolarHBondContact OE1-N 3.11Å; E145-A163 WeakPolarHBondContact OE2-CB 3.33Å; L161-A163 VanDerWaalsContact C-N 3.34Å; L161-A163 PolarHBondContact O-N 3.04Å; A163-L165 PolarHBondContact O-N 2.89Å; A163-L165 VanDerWaalsContact O-N 3.14Å; A163-F166 HydrophobicContact CB-CD2 3.98Å; A163-F166 HydrophobicContact CB-CE2 4.4Å; A163-F166 WeakPolarHBondContact O-CB 3.35Å; A163-F166 PolarHBondContact O-N 2.75Å; A163-C195 HydrophobicContact CB-CB 3.8Å; A163-T197 WeakPolarHBondContact CB-OG1 3.13Å; A163-T197 PolarHBondContact N-OG1 2.96Å; A163-T197 VanDerWaalsContact N-OG1 3.11Å; A163-S322 PolarHBondContact N-OG 3.43Å
164S98.4Very high91.5Very high1 Ų125 Ų251%0.00714%0.14CC..Hα-helixtrans-57-25.8169.8-49.80000111.8L161 A162 F166 V167 I168L161-S164 WeakPolarHBondContact O-CB 3.37Å; L161-S164 PolarHBondContact O-N 2.84Å; L161-S164 PolarHBondContact O-OG 3.48Å; A162-S164 PolarHBondContact O-N 3.26Å; S164-F166 VanDerWaalsContact C-N 3.28Å; S164-F166 PolarHBondContact O-N 2.84Å; S164-V167 VanDerWaalsContact O-CB 3.25Å; S164-V167 WeakPolarHBondContact O-CB 3.09Å; S164-V167 PolarHBondContact O-N 3.1Å; S164-V167 VanDerWaalsContact O-N 3.07Å; S164-I168 PolarHBondContact O-N 3.42Å
165L98.7Very high93.9Very high0 Ų014.6 Ų14.60%010%0.096CC..Hα-helixtrans-67.4-27.2176.7-56.6178.4000112.6A68 F69 F72 A162 A163 V167 I168 K169 L272 C310 M311 W345A68-L165 HydrophobicContact CB-CD2 4.38Å; F69-L165 HydrophobicContact CD1-CD2 4.13Å; F69-L165 HydrophobicContact CE1-CD2 3.89Å; F72-L165 HydrophobicContact CD1-CD2 4.29Å; F72-L165 HydrophobicContact CD2-CD2 4.44Å; F72-L165 HydrophobicContact CE1-CB 4.18Å; F72-L165 HydrophobicContact CE1-CD1 4.3Å; F72-L165 HydrophobicContact CE1-CD2 3.83Å; F72-L165 HydrophobicContact CE1-CG 4.32Å; F72-L165 HydrophobicContact CE2-CD1 4.38Å; F72-L165 HydrophobicContact CE2-CD2 4.01Å; F72-L165 HydrophobicContact CZ-CB 4.42Å; F72-L165 HydrophobicContact CZ-CD1 3.71Å; F72-L165 HydrophobicContact CZ-CD2 3.69Å; F72-L165 HydrophobicContact CZ-CG 4.14Å; A162-L165 VanDerWaalsContact O-CB 3.31Å; A162-L165 WeakPolarHBondContact O-CB 3.49Å; A162-L165 VanDerWaalsContact O-CG 3.31Å; A162-L165 WeakPolarHBondContact O-CG 3.48Å; A162-L165 PolarHBondContact O-N 3.18Å; A162-L165 VanDerWaalsContact O-N 3.08Å; A163-L165 PolarHBondContact O-N 2.89Å; A163-L165 VanDerWaalsContact O-N 3.14Å; L165-V167 VanDerWaalsContact C-N 3.3Å; L165-V167 PolarHBondContact O-N 2.9Å; L165-I168 HydrophobicContact CD2-CD1 4.05Å; L165-I168 PolarHBondContact O-N 2.83Å; L165-K169 PolarHBondContact O-N 2.93Å; L165-L272 HydrophobicContact CD1-CD2 4.15Å; L165-C310 HydrophobicContact CD1-CB 3.46Å; L165-C310 VanDerWaalsContact CD1-CB 3.46Å; L165-M311 HydrophobicContact CD1-CB 4.18Å; L165-M311 HydrophobicContact CD2-CE 4Å; L165-M311 HydrophobicContact CG-CE 4.18Å; L165-W345 HydrophobicContact CB-CE3 4.47Å; L165-W345 HydrophobicContact CB-CZ3 3.84Å
166F98.7Very high95.7Very high0 Ų014.1 Ų14.10%09%0.086CC..Hα-helixtrans-63.5-38.2169.7-69-57.2000111.5A163 S164 I168 K169 I170 V191 A270 L272 Y306 L324 L336 W345A163-F166 HydrophobicContact CB-CD2 3.98Å; A163-F166 HydrophobicContact CB-CE2 4.4Å; A163-F166 WeakPolarHBondContact O-CB 3.35Å; A163-F166 PolarHBondContact O-N 2.75Å; S164-F166 VanDerWaalsContact C-N 3.28Å; S164-F166 PolarHBondContact O-N 2.84Å; F166-I168 VanDerWaalsContact C-N 3.34Å; F166-K169 PolarHBondContact O-N 3.36Å; F166-I170 HydrophobicContact CB-CD1 4.47Å; F166-I170 VanDerWaalsContact O-CB 3.29Å; F166-I170 WeakPolarHBondContact O-CB 3.09Å; F166-I170 WeakPolarHBondContact O-CD1 3.32Å; F166-I170 VanDerWaalsContact O-CG1 3.25Å; F166-I170 WeakPolarHBondContact O-CG1 3.46Å; F166-I170 PolarHBondContact O-N 3.01Å; F166-V191 HydrophobicContact CB-CG1 4.11Å; F166-A270 HydrophobicContact CE1-CB 4.05Å; F166-A270 HydrophobicContact CZ-CB 4.23Å; F166-L272 HydrophobicContact CE2-CB 4.2Å; F166-L272 HydrophobicContact CZ-CB 3.76Å; F166-Y306 AromaticContact CE1-CD2 3.94Å; F166-Y306 HydrophobicContact CE1-CD2 3.94Å; F166-Y306 AromaticContact CE1-CE2 3.97Å; F166-Y306 HydrophobicContact CE1-CE2 3.97Å; F166-Y306 HydrophobicContact CZ-CD2 4.43Å; F166-L324 HydrophobicContact CB-CD2 4.15Å; F166-L324 HydrophobicContact CD1-CD2 4.1Å; F166-L324 HydrophobicContact CD2-CB 3.82Å; F166-L324 HydrophobicContact CD2-CD2 4.45Å; F166-L324 HydrophobicContact CE2-CB 3.85Å; F166-L324 HydrophobicContact CG-CB 4.21Å; F166-L324 HydrophobicContact CG-CD2 4Å; F166-L324 HydrophobicContact CZ-CB 4.27Å; F166-L336 HydrophobicContact CD1-CD2 3.89Å; F166-L336 HydrophobicContact CE1-CD2 4.47Å; F166-W345 AromaticContact CD1-CH2 3.62Å; F166-W345 HydrophobicContact CD1-CH2 3.62Å; F166-W345 HydrophobicContact CD1-CZ2 4.31Å; F166-W345 AromaticContact CE1-CH2 3.79Å; F166-W345 HydrophobicContact CE1-CH2 3.79Å; F166-W345 HydrophobicContact CE1-CZ2 4.37Å
167V98.7Very high97Very high0 Ų016 Ų160%010%0.096CC..Hα-helixtrans-61.3-47.4176.4-175.70000109.7L111 M143 S164 L165 C171 A188 V191 I192L111-V167 HydrophobicContact CD1-CG1 4.26Å; L111-V167 HydrophobicContact CD2-CG1 3.99Å; M143-V167 HydrophobicContact SD-CB 3.82Å; M143-V167 HydrophobicContact SD-CG1 3.9Å; M143-V167 HydrophobicContact SD-CG2 4.13Å; S164-V167 VanDerWaalsContact O-CB 3.25Å; S164-V167 WeakPolarHBondContact O-CB 3.09Å; S164-V167 PolarHBondContact O-N 3.1Å; S164-V167 VanDerWaalsContact O-N 3.07Å; L165-V167 VanDerWaalsContact C-N 3.3Å; L165-V167 PolarHBondContact O-N 2.9Å; V167-C171 WeakPolarHBondContact O-CB 3.24Å; V167-C171 PolarHBondContact O-N 3.21Å; V167-C171 PolarHBondContact O-SG 3.35Å; V167-A188 HydrophobicContact CG1-CB 3.69Å; V167-V191 HydrophobicContact CB-CG1 4.43Å; V167-V191 HydrophobicContact CG2-CB 4.08Å; V167-V191 HydrophobicContact CG2-CG1 3.66Å; V167-I192 HydrophobicContact CG2-CD1 4.49Å; V167-I192 HydrophobicContact CG2-CG1 3.71Å
168I98.6Very high97.6Very high0 Ų015.6 Ų15.60%09%0.092CC..Hα-helixtrans-59.7-50.4178.4-64176.8000110.6F69 F72 L78 L111 S164 L165 F166 G172F69-I168 HydrophobicContact CD1-CD1 3.52Å; F69-I168 HydrophobicContact CE1-CD1 3.77Å; F72-I168 HydrophobicContact CB-CG2 4.29Å; F72-I168 HydrophobicContact CD1-CG2 4.11Å; L78-I168 HydrophobicContact CD1-CD1 4.36Å; L78-I168 HydrophobicContact CD1-CG2 4.46Å; L78-I168 HydrophobicContact CD2-CD1 4.37Å; L78-I168 HydrophobicContact CD2-CG1 4.19Å; L78-I168 HydrophobicContact CD2-CG2 3.77Å; L78-I168 HydrophobicContact CG-CG2 3.71Å; L111-I168 HydrophobicContact CD1-CG1 4.11Å; S164-I168 PolarHBondContact O-N 3.42Å; L165-I168 HydrophobicContact CD2-CD1 4.05Å; L165-I168 PolarHBondContact O-N 2.83Å; F166-I168 VanDerWaalsContact C-N 3.34Å; I168-G172 WeakPolarHBondContact O-CA 3.33Å; I168-G172 PolarHBondContact O-N 3.35Å
169K98.6Very high97.9Very high1 Ų113.6 Ų13.60%0.0049%0.088CC..Hα-helixtrans-64.6-44.3-178.4-178.665.4-179.2840112.5L165 F166 A173 S335 L336 S338 L342 W345L165-K169 PolarHBondContact O-N 2.93Å; F166-K169 PolarHBondContact O-N 3.36Å; K169-A173 WeakPolarHBondContact O-CB 3.48Å; K169-A173 PolarHBondContact O-N 2.96Å; K169-A173 VanDerWaalsContact O-N 3.08Å; K169-S335 PolarHBondContact NZ-O 2.98Å; K169-L336 HydrophobicContact CB-CD2 4.43Å; K169-L336 WeakPolarHBondContact CE-O 3.07Å; K169-L336 HydrophobicContact CG-CD2 4.05Å; K169-S338 PolarHBondContact NZ-O 2.92Å; K169-S338 PolarHBondContact NZ-OG 3.05Å; K169-L342 HydrophobicContact CD-CD1 3.95Å; K169-W345 HydrophobicContact CB-CD2 4.37Å; K169-W345 HydrophobicContact CB-CH2 4.26Å; K169-W345 HydrophobicContact CB-CZ2 4.12Å; K169-W345 HydrophobicContact CB-CZ3 4.47Å; K169-W345 HydrophobicContact CD-CD2 4.28Å; K169-W345 HydrophobicContact CD-CG 4.19Å; K169-W345 HydrophobicContact CG-CD2 4.29Å; K169-W345 HydrophobicContact CG-CZ2 3.95Å
170I98.7Very high98.1Very high0 Ų016.3 Ų16.30%011%0.108CC..Hα-helixtrans-69.4-49.2-177.6-69.1166.1000110.4F166 G172 A173 L174 T187 V191 L324 W332 L336F166-I170 HydrophobicContact CB-CD1 4.47Å; F166-I170 VanDerWaalsContact O-CB 3.29Å; F166-I170 WeakPolarHBondContact O-CB 3.09Å; F166-I170 WeakPolarHBondContact O-CD1 3.32Å; F166-I170 VanDerWaalsContact O-CG1 3.25Å; F166-I170 WeakPolarHBondContact O-CG1 3.46Å; F166-I170 PolarHBondContact O-N 3.01Å; I170-G172 VanDerWaalsContact C-N 3.33Å; I170-G172 PolarHBondContact O-N 3.02Å; I170-A173 PolarHBondContact O-N 2.79Å; I170-L174 HydrophobicContact CG2-CD1 3.94Å; I170-L174 WeakPolarHBondContact O-CB 3.19Å; I170-L174 VanDerWaalsContact O-CG 3.3Å; I170-L174 WeakPolarHBondContact O-CG 2.84Å; I170-L174 PolarHBondContact O-N 2.74Å; I170-T187 HydrophobicContact CG2-CG2 3.92Å; I170-V191 HydrophobicContact CB-CG2 4.46Å; I170-V191 HydrophobicContact CD1-CG1 4.18Å; I170-V191 HydrophobicContact CD1-CG2 3.77Å; I170-V191 HydrophobicContact CG2-CG2 4.22Å; I170-L324 HydrophobicContact CD1-CD2 3.77Å; I170-W332 HydrophobicContact CD1-CB 3.88Å; I170-W332 HydrophobicContact CD1-CD2 4.07Å; I170-W332 HydrophobicContact CD1-CE3 4.24Å; I170-W332 HydrophobicContact CD1-CG 3.94Å; I170-W332 HydrophobicContact CG1-CB 4.37Å; I170-W332 HydrophobicContact CG2-CG 4.21Å; I170-L336 HydrophobicContact CD1-CD2 4.29Å; I170-L336 HydrophobicContact CG1-CD2 3.94Å; I170-L336 HydrophobicContact CG1-CG 4.26Å
171C98.8Very high98.2Very high0 Ų017.1 Ų17.10%011%0.112CC..Hα-helixtrans-65.8-38.5178.8-62.30000111.2L57 V167 L174 A175 L184L57-C171 HydrophobicContact CD1-CB 3.78Å; V167-C171 WeakPolarHBondContact O-CB 3.24Å; V167-C171 PolarHBondContact O-N 3.21Å; V167-C171 PolarHBondContact O-SG 3.35Å; C171-L174 PolarHBondContact O-N 2.93Å; C171-A175 VanDerWaalsContact O-CB 3.29Å; C171-A175 WeakPolarHBondContact O-CB 3.49Å; C171-A175 PolarHBondContact O-N 3.07Å; C171-L184 HydrophobicContact CB-CD2 4.34Å
172G98.5Very high98.3Very high0 Ų024.4 Ų24.40%014%0.144CC..Hα-helixtrans-60.5-48.6177.900000111.7L57 G76 G77 I168 I170 L174 A175 E176L57-G172 VanDerWaalsContact CD1-CA 3.48Å; L57-G172 VanDerWaalsContact CD1-N 3.34Å; G76-G172 CarbonylContact O-C 3.46Å; G77-G172 WeakPolarHBondContact O-CA 3.27Å; I168-G172 WeakPolarHBondContact O-CA 3.33Å; I168-G172 PolarHBondContact O-N 3.35Å; I170-G172 VanDerWaalsContact C-N 3.33Å; I170-G172 PolarHBondContact O-N 3.02Å; G172-L174 VanDerWaalsContact C-N 3.34Å; G172-L174 PolarHBondContact O-N 3.27Å; G172-A175 PolarHBondContact O-N 3.38Å; G172-E176 WeakPolarHBondContact O-CG 3.23Å; G172-E176 PolarHBondContact O-N 3.17Å; G172-E176 VanDerWaalsContact O-N 3.1Å
173A98.3Very high98.3Very high12 Ų1228.1 Ų28.110%0.09916%0.163CC..Hα-helixtrans-59.3-42.3174.200000113.1G76 K169 I170 E176 S177 S335 S338G76-A173 PolarHBondContact O-N 3.22Å; K169-A173 WeakPolarHBondContact O-CB 3.48Å; K169-A173 PolarHBondContact O-N 2.96Å; K169-A173 VanDerWaalsContact O-N 3.08Å; I170-A173 PolarHBondContact O-N 2.79Å; A173-E176 PolarHBondContact O-N 3.14Å; A173-S177 PolarHBondContact O-N 2.87Å; A173-S335 WeakPolarHBondContact CB-O 3.47Å; A173-S338 WeakPolarHBondContact CB-OG 3.36Å
174L98.5Very high98.3Very high33 Ų3328.1 Ų28.117%0.17316%0.163CC..Hα-helixtrans-69.8-35.2178.8-71.4173.7000112.3I170 C171 G172 E176 S177 G178 T179 L184 T187I170-L174 HydrophobicContact CG2-CD1 3.94Å; I170-L174 WeakPolarHBondContact O-CB 3.19Å; I170-L174 VanDerWaalsContact O-CG 3.3Å; I170-L174 WeakPolarHBondContact O-CG 2.84Å; I170-L174 PolarHBondContact O-N 2.74Å; C171-L174 PolarHBondContact O-N 2.93Å; G172-L174 VanDerWaalsContact C-N 3.34Å; G172-L174 PolarHBondContact O-N 3.27Å; L174-E176 VanDerWaalsContact C-N 3.34Å; L174-S177 PolarHBondContact O-N 2.77Å; L174-S177 VanDerWaalsContact O-N 3.11Å; L174-S177 PolarHBondContact O-OG 2.6Å; L174-G178 PolarHBondContact O-N 2.71Å; L174-T179 VanDerWaalsContact O-CB 3.28Å; L174-T179 WeakPolarHBondContact O-CB 3.03Å; L174-T179 PolarHBondContact O-N 2.75Å; L174-T179 VanDerWaalsContact O-N 3.11Å; L174-T179 PolarHBondContact O-OG1 3.44Å; L174-L184 HydrophobicContact CB-CD2 3.47Å; L174-L184 VanDerWaalsContact CB-CD2 3.47Å; L174-L184 HydrophobicContact CD1-CD2 4.39Å; L174-T187 HydrophobicContact CD1-CG2 3.74Å
175A98.4Very high98.4Very high7 Ų728 Ų286%0.05816%0.163CC..Hα-helixtrans-63.2-39.1174.200000111.5H54 L57 C171 G172 S177 G178 L184H54-A175 PolarHBondContact ND1-O 3.27Å; L57-A175 HydrophobicContact CD1-CB 4.43Å; L57-A175 HydrophobicContact CG-CB 4.31Å; C171-A175 VanDerWaalsContact O-CB 3.29Å; C171-A175 WeakPolarHBondContact O-CB 3.49Å; C171-A175 PolarHBondContact O-N 3.07Å; G172-A175 PolarHBondContact O-N 3.38Å; A175-S177 PolarHBondContact O-N 3.15Å; A175-G178 PolarHBondContact O-N 3.27Å; A175-L184 HydrophobicContact CB-CD1 4.07Å
176E97.4Very high98.4Very high59 Ų5929.9 Ų29.928%0.27618%0.178SC..Hα-helixtrans-61.3-28.2172.6-65-57.7162.500113.2R43 H54 V75 G76 G172 A173 L174 G178R43-E176 IonicContact CZ-OE1 2.85Å; R43-E176 IonicContact NH1-OE1 3.17Å; R43-E176 PolarHBondContact NH1-OE1 3.12Å; R43-E176 IonicContact NH2-OE1 2.7Å; H54-E176 PolarHBondContact CE1-O 3.39Å; H54-E176 PolarHBondContact ND1-O 3Å; V75-E176 WeakPolarHBondContact CA-OE1 3.5Å; V75-E176 HydrophobicContact CG1-CG 4.18Å; G76-E176 PolarHBondContact N-OE1 2.87Å; G76-E176 VanDerWaalsContact N-OE1 3.11Å; G172-E176 WeakPolarHBondContact O-CG 3.23Å; G172-E176 PolarHBondContact O-N 3.17Å; G172-E176 VanDerWaalsContact O-N 3.1Å; A173-E176 PolarHBondContact O-N 3.14Å; L174-E176 VanDerWaalsContact C-N 3.34Å; E176-G178 VanDerWaalsContact C-N 3.28Å
177S96.1Very high98.4Very high83 Ų8330.9 Ų30.958%0.5818%0.184SC*.THydrogen-bonded Turntrans-865.8176.168.50000114.1A173 L174 A175 T179A173-S177 PolarHBondContact O-N 2.87Å; L174-S177 PolarHBondContact O-N 2.77Å; L174-S177 VanDerWaalsContact O-N 3.11Å; L174-S177 PolarHBondContact O-OG 2.6Å; A175-S177 PolarHBondContact O-N 3.15Å; S177-T179 PolarHBondContact OG-OG1 3.12Å
178G97.3Very high98.4Very high36 Ų3630.9 Ų30.937%0.37118%0.184SC..THydrogen-bonded Turntrans75.723.6179.700000114.4L174 A175 E176L174-G178 PolarHBondContact O-N 2.71Å; A175-G178 PolarHBondContact O-N 3.27Å; E176-G178 VanDerWaalsContact C-N 3.28Å
179T98.3Very high98.4Very high27 Ų2736.3 Ų36.317%0.16621%0.205CC..  trans-61131.1178.3-60.40000110.5L174 S177 D183 L184L174-T179 VanDerWaalsContact O-CB 3.28Å; L174-T179 WeakPolarHBondContact O-CB 3.03Å; L174-T179 PolarHBondContact O-N 2.75Å; L174-T179 VanDerWaalsContact O-N 3.11Å; L174-T179 PolarHBondContact O-OG1 3.44Å; S177-T179 PolarHBondContact OG-OG1 3.12Å; T179-D183 HydrophobicContact CG2-CB 3.8Å; T179-L184 HydrophobicContact CG2-CD2 3.96Å; T179-L184 HydrophobicContact CG2-CG 3.85Å; T179-L184 WeakPolarHBondContact O-CD1 3.38Å
180P98.5Very high98.3Very high75 Ų7540.3 Ų40.349%0.48723%0.226SC..  trans-61.6151-178.9-24.734.7000113.9K182 D183 L184P180-K182 VanDerWaalsContact C-N 3.31Å; P180-K182 PolarHBondContact O-N 3.46Å; P180-D183 PolarHBondContact O-N 3.37Å; P180-L184 PolarHBondContact O-N 3.03Å
181L98.8Very high98.3Very high18 Ų1840.3 Ų40.39%0.09423%0.226CC..Hα-helixtrans-52.6-44.7-175.7177.763.7000113.5V55 L109 P137 E139 D183 L184 A185V55-L181 HydrophobicContact CG1-CB 4.46Å; V55-L181 HydrophobicContact CG1-CD1 3.64Å; V55-L181 HydrophobicContact CG2-CB 3.95Å; L109-L181 HydrophobicContact CB-CD1 3.72Å; P137-L181 HydrophobicContact CB-CD2 3.55Å; P137-L181 WeakPolarHBondContact O-CD2 3.11Å; E139-L181 HydrophobicContact CB-CD1 4Å; E139-L181 HydrophobicContact CB-CD2 4.31Å; E139-L181 HydrophobicContact CB-CG 4.13Å; E139-L181 HydrophobicContact CG-CD1 4.28Å; E139-L181 HydrophobicContact CG-CD2 3.98Å; E139-L181 HydrophobicContact CG-CG 3.84Å; L181-D183 VanDerWaalsContact C-N 3.3Å; L181-D183 PolarHBondContact O-N 2.89Å; L181-L184 PolarHBondContact O-N 3.41Å; L181-A185 WeakPolarHBondContact O-CB 3.45Å; L181-A185 PolarHBondContact O-N 2.8Å
182K98.7Very high98.3Very high159 Ų15941.2 Ų41.269%0.69123%0.231SC*.Hα-helixtrans-61.5-40.6-180-175.4-178.3176.9-175.40111.8P180 A185 A186P180-K182 VanDerWaalsContact C-N 3.31Å; P180-K182 PolarHBondContact O-N 3.46Å; K182-A185 PolarHBondContact O-N 3.08Å; K182-A186 WeakPolarHBondContact O-CB 3.48Å; K182-A186 PolarHBondContact O-N 2.94Å
183D98.6Very high98.2Very high79 Ų7944.8 Ų44.842%0.42226%0.26SS..Hα-helixtrans-75.5-34.7-177.9-60.4-26.5000110.9T179 P180 L181 A186 T187T179-D183 HydrophobicContact CG2-CB 3.8Å; P180-D183 PolarHBondContact O-N 3.37Å; L181-D183 VanDerWaalsContact C-N 3.3Å; L181-D183 PolarHBondContact O-N 2.89Å; D183-A186 PolarHBondContact O-N 3.15Å; D183-T187 VanDerWaalsContact O-CB 3.3Å; D183-T187 WeakPolarHBondContact O-CB 3.41Å; D183-T187 PolarHBondContact O-N 3.26Å; D183-T187 PolarHBondContact O-OG1 2.87Å
184L98.7Very high98.2Very high0 Ų046.4 Ų46.40%027%0.267CS..Hα-helixtrans-63.8-45.7169.6-72.5174000111.8V55 L109 C171 L174 A175 T179 P180 L181 A186 T187 A188V55-L184 HydrophobicContact CB-CD1 3.56Å; V55-L184 HydrophobicContact CG1-CD1 3.68Å; V55-L184 HydrophobicContact CG2-CD1 3.92Å; L109-L184 HydrophobicContact CD2-CB 3.82Å; C171-L184 HydrophobicContact CB-CD2 4.34Å; L174-L184 HydrophobicContact CB-CD2 3.47Å; L174-L184 VanDerWaalsContact CB-CD2 3.47Å; L174-L184 HydrophobicContact CD1-CD2 4.39Å; A175-L184 HydrophobicContact CB-CD1 4.07Å; T179-L184 HydrophobicContact CG2-CD2 3.96Å; T179-L184 HydrophobicContact CG2-CG 3.85Å; T179-L184 WeakPolarHBondContact O-CD1 3.38Å; P180-L184 PolarHBondContact O-N 3.03Å; L181-L184 PolarHBondContact O-N 3.41Å; L184-A186 VanDerWaalsContact C-N 3.34Å; L184-A186 PolarHBondContact O-N 2.69Å; L184-T187 PolarHBondContact O-N 2.92Å; L184-A188 WeakPolarHBondContact O-CB 3.13Å; L184-A188 PolarHBondContact O-N 3.07Å
185A98.8Very high98.2Very high0 Ų045 Ų450%026%0.26CS..Hα-helixtrans-63.6-39.6177.500000111.9L109 E139 V141 L181 K182 R189L109-A185 HydrophobicContact CD1-CB 4.01Å; E139-A185 HydrophobicContact CB-CB 3.95Å; E139-A185 HydrophobicContact CG-CB 3.92Å; V141-A185 HydrophobicContact CG2-CB 4.14Å; L181-A185 WeakPolarHBondContact O-CB 3.45Å; L181-A185 PolarHBondContact O-N 2.8Å; K182-A185 PolarHBondContact O-N 3.08Å; A185-R189 WeakPolarHBondContact O-CG 3.36Å; A185-R189 PolarHBondContact O-N 3.04Å; A185-R189 VanDerWaalsContact O-N 3.17Å; A185-R189 PolarHBondContact O-NH1 3.26Å
186A98.6Very high98.2Very high38 Ų3844.6 Ų44.631%0.31426%0.257SS..Hα-helixtrans-64.8-43.2172.700000111.8K182 D183 L184 R189 N190K182-A186 WeakPolarHBondContact O-CB 3.48Å; K182-A186 PolarHBondContact O-N 2.94Å; D183-A186 PolarHBondContact O-N 3.15Å; L184-A186 VanDerWaalsContact C-N 3.34Å; L184-A186 PolarHBondContact O-N 2.69Å; A186-R189 PolarHBondContact O-N 2.62Å; A186-N190 WeakPolarHBondContact O-CB 3.48Å; A186-N190 PolarHBondContact O-N 2.96Å; A186-N190 PolarHBondContact O-ND2 3.41Å
187T98.6Very high98.2Very high22 Ų2241.8 Ų41.814%0.13524%0.244CC..Hα-helixtrans-61.6-45.6176.5-60.90000111.3I170 L174 D183 L184 R189 N190 V191 W332I170-T187 HydrophobicContact CG2-CG2 3.92Å; L174-T187 HydrophobicContact CD1-CG2 3.74Å; D183-T187 VanDerWaalsContact O-CB 3.3Å; D183-T187 WeakPolarHBondContact O-CB 3.41Å; D183-T187 PolarHBondContact O-N 3.26Å; D183-T187 PolarHBondContact O-OG1 2.87Å; L184-T187 PolarHBondContact O-N 2.92Å; T187-R189 PolarHBondContact O-N 2.68Å; T187-N190 WeakPolarHBondContact O-CB 3.35Å; T187-N190 PolarHBondContact O-N 3Å; T187-N190 VanDerWaalsContact O-N 3.1Å; T187-V191 HydrophobicContact CG2-CG2 4.23Å; T187-V191 WeakPolarHBondContact O-CG2 3.29Å; T187-V191 PolarHBondContact O-N 2.85Å; T187-W332 HydrophobicContact CG2-CZ2 4.49Å
188A98.7Very high98.3Very high0 Ų037.9 Ų37.90%022%0.216CC..Hα-helixtrans-56.7-49.4176.900000111.5L111 V141 V167 L184 N190 V191 I192L111-A188 HydrophobicContact CD2-CB 4.11Å; V141-A188 HydrophobicContact CB-CB 4.35Å; V141-A188 HydrophobicContact CG1-CB 3.95Å; V141-A188 HydrophobicContact CG2-CB 4.26Å; V167-A188 HydrophobicContact CG1-CB 3.69Å; L184-A188 WeakPolarHBondContact O-CB 3.13Å; L184-A188 PolarHBondContact O-N 3.07Å; A188-N190 VanDerWaalsContact C-N 3.3Å; A188-N190 PolarHBondContact O-N 3.25Å; A188-V191 PolarHBondContact O-N 2.91Å; A188-I192 VanDerWaalsContact O-CD1 3.23Å; A188-I192 WeakPolarHBondContact O-CD1 3.46Å; A188-I192 WeakPolarHBondContact O-CG1 3.32Å; A188-I192 PolarHBondContact O-N 2.78Å
189R98.6Very high98.3Very high113 Ų11336.4 Ų36.443%0.42620%0.201SC..Hα-helixtrans-59-40.2175.4-67.9176.1-168.1110.70.7112.1E139 V141 A185 A186 T187 A193E139-R189 IonicContact OE2-CZ 2.86Å; E139-R189 IonicContact OE2-NH1 2.76Å; E139-R189 IonicContact OE2-NH2 3.42Å; E139-R189 PolarHBondContact OE2-NH2 2.65Å; V141-R189 HydrophobicContact CG1-CG 4Å; V141-R189 HydrophobicContact CG2-CG 4.29Å; A185-R189 WeakPolarHBondContact O-CG 3.36Å; A185-R189 PolarHBondContact O-N 3.04Å; A185-R189 VanDerWaalsContact O-N 3.17Å; A185-R189 PolarHBondContact O-NH1 3.26Å; A186-R189 PolarHBondContact O-N 2.62Å; T187-R189 PolarHBondContact O-N 2.68Å; R189-A193 WeakPolarHBondContact O-CB 3.4Å; R189-A193 PolarHBondContact O-N 3.47Å
190N98.3Very high98.3Very high86 Ų8635.4 Ų35.446%0.4620%0.195SC..Hα-helixtrans-68.2-40.7178.1-71.8-20.6000112.5A186 T187 A188 A193 N194 W332A186-N190 WeakPolarHBondContact O-CB 3.48Å; A186-N190 PolarHBondContact O-N 2.96Å; A186-N190 PolarHBondContact O-ND2 3.41Å; T187-N190 WeakPolarHBondContact O-CB 3.35Å; T187-N190 PolarHBondContact O-N 3Å; T187-N190 VanDerWaalsContact O-N 3.1Å; A188-N190 VanDerWaalsContact C-N 3.3Å; A188-N190 PolarHBondContact O-N 3.25Å; N190-A193 PolarHBondContact O-N 3Å; N190-N194 PolarHBondContact O-N 3.39Å; N190-N194 PolarHBondContact O-ND2 3.49Å; N190-W332 HydrophobicContact CB-CH2 4.07Å; N190-W332 HydrophobicContact CB-CZ2 3.94Å
191V98.6Very high98.2Very high0 Ų031.8 Ų31.80%017%0.172CC..Hα-helixtrans-62-47.8175.5174.60000109.7F166 V167 I170 T187 A188 A193 N194 C195 L324 W332F166-V191 HydrophobicContact CB-CG1 4.11Å; V167-V191 HydrophobicContact CB-CG1 4.43Å; V167-V191 HydrophobicContact CG2-CB 4.08Å; V167-V191 HydrophobicContact CG2-CG1 3.66Å; I170-V191 HydrophobicContact CB-CG2 4.46Å; I170-V191 HydrophobicContact CD1-CG1 4.18Å; I170-V191 HydrophobicContact CD1-CG2 3.77Å; I170-V191 HydrophobicContact CG2-CG2 4.22Å; T187-V191 HydrophobicContact CG2-CG2 4.23Å; T187-V191 WeakPolarHBondContact O-CG2 3.29Å; T187-V191 PolarHBondContact O-N 2.85Å; A188-V191 PolarHBondContact O-N 2.91Å; V191-A193 VanDerWaalsContact C-N 3.28Å; V191-A193 PolarHBondContact O-N 3.07Å; V191-N194 CarbonylContact O-C 3.39Å; V191-N194 PolarHBondContact O-N 2.98Å; V191-C195 PolarHBondContact O-N 3.09Å; V191-C195 VanDerWaalsContact O-N 3.09Å; V191-C195 PolarHBondContact O-SG 3.4Å; V191-C195 VanDerWaalsContact O-SG 3.4Å; V191-L324 HydrophobicContact CG1-CD1 3.94Å; V191-W332 HydrophobicContact CB-CH2 4.21Å; V191-W332 HydrophobicContact CB-CZ3 4.41Å; V191-W332 HydrophobicContact CG2-CD2 4.04Å; V191-W332 HydrophobicContact CG2-CE3 4.06Å; V191-W332 HydrophobicContact CG2-CH2 3.64Å; V191-W332 HydrophobicContact CG2-CZ2 3.59Å; V191-W332 HydrophobicContact CG2-CZ3 3.88Å
192I98Very high98.1Very high19 Ų1933.8 Ų33.810%0.09718%0.182CC..Hα-helixtrans-57.7-41.2177.8-63.5155.3000111.4V141 M143 V167 A188 N194 C195V141-I192 HydrophobicContact CG1-CD1 3.52Å; M143-I192 HydrophobicContact CB-CD1 4.28Å; M143-I192 HydrophobicContact CB-CG1 4.45Å; M143-I192 HydrophobicContact CG-CD1 3.88Å; M143-I192 HydrophobicContact CG-CG1 4.3Å; V167-I192 HydrophobicContact CG2-CD1 4.49Å; V167-I192 HydrophobicContact CG2-CG1 3.71Å; A188-I192 VanDerWaalsContact O-CD1 3.23Å; A188-I192 WeakPolarHBondContact O-CD1 3.46Å; A188-I192 WeakPolarHBondContact O-CG1 3.32Å; A188-I192 PolarHBondContact O-N 2.78Å; I192-N194 PolarHBondContact O-N 2.8Å; I192-C195 PolarHBondContact O-N 3.32Å
193A96.6Very high97.9Very high74 Ų7428.1 Ų28.161%0.61216%0.162SC*.Hα-helixtrans-68.6-19.1178.400000113.7R189 N190 V191R189-A193 WeakPolarHBondContact O-CB 3.4Å; R189-A193 PolarHBondContact O-N 3.47Å; N190-A193 PolarHBondContact O-N 3Å; V191-A193 VanDerWaalsContact C-N 3.28Å; V191-A193 PolarHBondContact O-N 3.07Å
194N97.8Very high97.6Very high47 Ų4724.7 Ų24.725%0.25115%0.145SC..THydrogen-bonded Turntrans-113.613.6-176.9-72.2-84.2000112.9N190 V191 I192 F261 N325 W332N190-N194 PolarHBondContact O-N 3.39Å; N190-N194 PolarHBondContact O-ND2 3.49Å; V191-N194 CarbonylContact O-C 3.39Å; V191-N194 PolarHBondContact O-N 2.98Å; I192-N194 PolarHBondContact O-N 2.8Å; N194-F261 WeakPolarHBondContact O-CE2 3.38Å; N194-N325 HydrophobicContact CB-CB 4.38Å; N194-N325 PolarHBondContact O-N 3.43Å; N194-W332 HydrophobicContact CB-CH2 4.5Å; N194-W332 HydrophobicContact CB-CZ3 4.23Å
195C98.3Very high97.3Very high2 Ų224.7 Ų24.71%0.01415%0.145CC..EExtended strand (participates in β ladder)trans-125.8162.7175.675.20000113.2A163 V191 I192 L323 L324A163-C195 HydrophobicContact CB-CB 3.8Å; V191-C195 PolarHBondContact O-N 3.09Å; V191-C195 VanDerWaalsContact O-N 3.09Å; V191-C195 PolarHBondContact O-SG 3.4Å; V191-C195 VanDerWaalsContact O-SG 3.4Å; I192-C195 PolarHBondContact O-N 3.32Å; C195-L323 CarbonylContact C-O 3.48Å; C195-L323 WeakPolarHBondContact CA-O 3.46Å; C195-L323 VanDerWaalsContact CB-O 3.23Å; C195-L323 WeakPolarHBondContact CB-O 3.46Å; C195-L324 HydrophobicContact CB-CD1 4.05Å
196G98Very high97Very high0 Ų025.7 Ų25.70%015%0.152CC..EExtended strand (participates in β ladder)trans-163.1148.717700000112.6E145 S322 L323E145-G196 VanDerWaalsContact O-CA 3.3Å; E145-G196 WeakPolarHBondContact O-CA 3.5Å; E145-G196 VanDerWaalsContact OE2-CA 3.23Å; E145-G196 WeakPolarHBondContact OE2-CA 3.25Å; G196-S322 CarbonylContact O-C 3.59Å; G196-S322 VanDerWaalsContact O-CA 3.26Å; G196-S322 WeakPolarHBondContact O-CA 3.29Å; G196-L323 PolarHBondContact N-O 3.28Å; G196-L323 PolarHBondContact O-N 3.43Å
197T98.5Very high96.7Very high0 Ų024.4 Ų24.40%014%0.14CC..EExtended strand (participates in β ladder)trans-131.6142.1-177.5-61.60000110.8E145 C147 L161 A162 A163 V321 S322E145-T197 PolarHBondContact O-N 3.36Å; E145-T197 WeakPolarHBondContact OE1-CB 3.2Å; E145-T197 PolarHBondContact OE1-OG1 3.43Å; E145-T197 WeakPolarHBondContact OE2-CA 3.36Å; E145-T197 WeakPolarHBondContact OE2-CB 3.49Å; E145-T197 PolarHBondContact OE2-N 3.15Å; E145-T197 PolarHBondContact OE2-OG1 2.94Å; C147-T197 WeakPolarHBondContact CB-O 3.29Å; C147-T197 PolarHBondContact N-O 3.23Å; L161-T197 HydrophobicContact CB-CG2 3.92Å; L161-T197 HydrophobicContact CD1-CG2 4.1Å; A162-T197 HydrophobicContact CB-CG2 4.39Å; A163-T197 WeakPolarHBondContact CB-OG1 3.13Å; A163-T197 PolarHBondContact N-OG1 2.96Å; A163-T197 VanDerWaalsContact N-OG1 3.11Å; T197-V321 VanDerWaalsContact CA-O 3.3Å; T197-V321 WeakPolarHBondContact CA-O 3.33Å; T197-S322 WeakPolarHBondContact CG2-OG 3.25Å; T197-S322 WeakPolarHBondContact OG1-CB 3.34Å; T197-S322 PolarHBondContact OG1-OG 3.08Å
198I98Very high96.3Very high0 Ų024.4 Ų24.40%014%0.14CC..EExtended strand (participates in β ladder)trans-136.1139.5164.1-167.6166000109.9L223 M248 H251 M252 S320 V321I198-L223 HydrophobicContact CD1-CD1 3.87Å; I198-L223 HydrophobicContact CD1-CG 4.36Å; I198-L223 HydrophobicContact CG1-CD1 4.17Å; I198-M248 WeakPolarHBondContact CD1-O 3.47Å; I198-M248 HydrophobicContact CG2-CB 3.83Å; I198-M248 HydrophobicContact CG2-CE 4.06Å; I198-M248 HydrophobicContact CG2-CG 4.45Å; I198-M248 WeakPolarHBondContact O-CE 3.36Å; I198-H251 HydrophobicContact CD1-CB 3.8Å; I198-M252 HydrophobicContact CB-CB 4.24Å; I198-M252 HydrophobicContact CD1-CB 4.46Å; I198-M252 HydrophobicContact CG2-CB 3.9Å; I198-M252 HydrophobicContact CG2-CG 4.38Å; I198-M252 HydrophobicContact CG2-SD 4.03Å; I198-S320 CarbonylContact O-C 3.55Å; I198-S320 WeakPolarHBondContact O-CA 3.24Å; I198-S320 VanDerWaalsContact O-CB 3.29Å; I198-S320 WeakPolarHBondContact O-CB 3.38Å; I198-V321 PolarHBondContact N-O 3.11Å; I198-V321 PolarHBondContact O-N 3.03Å
199G97.8Very high95.9Very high5 Ų525.3 Ų25.35%0.05215%0.15CC..EExtended strand (participates in β ladder)trans-114.6165178.400000113.2G224 F319G199-G224 WeakPolarHBondContact O-CA 3.44Å; G199-G224 PolarHBondContact O-N 2.86Å; G199-F319 CarbonylContact C-O 3.51Å; G199-F319 VanDerWaalsContact CA-O 3.32Å; G199-F319 WeakPolarHBondContact CA-O 3.34Å
200V97.8Very high95.3Very high6 Ų627.1 Ų27.14%0.03616%0.157CC..EExtended strand (participates in β ladder)trans-144.5148166.769.60000109.2M221 E222 T244 M248 G318 F319V200-M221 HydrophobicContact CG2-CB 4.28Å; V200-M221 HydrophobicContact CG2-CG 4.25Å; V200-M221 HydrophobicContact CG2-SD 4.1Å; V200-E222 VanDerWaalsContact CA-O 3.27Å; V200-E222 WeakPolarHBondContact CA-O 3.44Å; V200-E222 WeakPolarHBondContact CG2-O 3.43Å; V200-T244 HydrophobicContact CB-CG2 4.44Å; V200-T244 HydrophobicContact CG1-CG2 3.8Å; V200-T244 HydrophobicContact CG2-CG2 4.23Å; V200-M248 HydrophobicContact CB-CE 4.46Å; V200-M248 HydrophobicContact CB-CG 4.38Å; V200-M248 HydrophobicContact CB-SD 3.86Å; V200-M248 HydrophobicContact CG1-CE 4.18Å; V200-M248 HydrophobicContact CG1-SD 3.47Å; V200-M248 WeakPolarHBondContact CG1-SD 3.44Å; V200-G318 CarbonylContact O-C 3.47Å; V200-G318 WeakPolarHBondContact O-CA 3.43Å; V200-F319 HydrophobicContact CG1-CD1 3.57Å; V200-F319 HydrophobicContact CG1-CE1 3.26Å; V200-F319 HydrophobicContact CG1-CZ 4.09Å; V200-F319 PolarHBondContact N-O 2.99Å; V200-F319 PolarHBondContact O-N 3.42Å
201S96.9Very high94.7Very high0 Ų025.1 Ų25.10%016%0.156CC..EExtended strand (participates in β ladder)trans-135.2146.4172.2700000112.7S203 M221 E222 L225 H317S201-S203 WeakPolarHBondContact CB-O 3.36Å; S201-S203 PolarHBondContact OG-O 3.08Å; S201-M221 CarbonylContact O-C 3.36Å; S201-M221 WeakPolarHBondContact O-CA 3.31Å; S201-E222 PolarHBondContact N-O 2.87Å; S201-E222 PolarHBondContact O-N 3.43Å; S201-L225 VanDerWaalsContact CB-CD2 3.48Å; S201-L225 WeakPolarHBondContact OG-CD2 3.31Å; S201-H317 CarbonylContact C-O 3.5Å; S201-H317 VanDerWaalsContact CA-O 3.31Å; S201-H317 WeakPolarHBondContact CA-O 3.43Å; S201-H317 WeakPolarHBondContact CB-O 3.39Å
202L96.8Very high94.3Very high60 Ų6027.8 Ų27.831%0.31417%0.174SC..SBendtrans-90.3-22.7168.7-60177.7000111.9M221 V238 H317L202-M221 HydrophobicContact CD2-CB 3.76Å; L202-V238 HydrophobicContact CD2-CG1 4.17Å; L202-V238 HydrophobicContact CD2-CG2 3.84Å; L202-H317 HydrophobicContact CB-CB 4.37Å; L202-H317 PolarHBondContact N-O 2.91Å
203S94.5Very high93.8Very high39 Ų3929.4 Ų29.427%0.27318%0.182SC..SBendtrans-139.4164.2178.773.10000112.2S201 M316 H317S201-S203 WeakPolarHBondContact CB-O 3.36Å; S201-S203 PolarHBondContact OG-O 3.08Å; S203-M316 WeakPolarHBondContact O-CG 3.27Å; S203-H317 PolarHBondContact N-O 3.19Å; S203-H317 WeakPolarHBondContact OG-CB 3.4Å; S203-H317 PolarHBondContact OG-N 3.34Å
204S92.5Very high93.4Very high8 Ų827.8 Ų27.86%0.05616%0.161CC..  trans-83.4159.8167.3-170.60000110.9L213 F214S204-L213 PolarHBondContact OG-N 3.39Å; S204-F214 WeakPolarHBondContact CB-O 3.27Å; S204-F214 WeakPolarHBondContact OG-CD1 3.31Å; S204-F214 WeakPolarHBondContact OG-CE1 3.11Å; S204-F214 WeakPolarHBondContact OG-CG 3.29Å; S204-F214 WeakPolarHBondContact OG-CZ 3.32Å; S204-F214 PolarHBondContact OG-N 3.04Å; S204-F214 PolarHBondContact OG-O 3.47Å
205C91.5Very high93Very high0 Ų032 Ų320%018%0.18CC..  trans-82155.6171.861.90000112.4F87 P207 P212 L213 S313 L314 M316F87-C205 VanDerWaalsContact CE2-SG 3.59Å; C205-P207 WeakPolarHBondContact O-CD 3.48Å; C205-P212 WeakPolarHBondContact O-CA 2.97Å; C205-L213 PolarHBondContact O-N 3.22Å; C205-S313 WeakPolarHBondContact CB-O 3.36Å; C205-S313 PolarHBondContact SG-OG 3.29Å; C205-L314 HydrophobicContact CB-CB 4.27Å; C205-M316 HydrophobicContact CB-CB 4.11Å; C205-M316 HydrophobicContact CB-CE 4.15Å
206S92.5Very high92.5Very high21 Ų2132.8 Ų32.815%0.14718%0.183CC..  trans-115100.4178.9-57.70000110.7K9 D315K9-S206 WeakPolarHBondContact CE-O 3.44Å; K9-S206 PolarHBondContact NZ-O 2.9Å; S206-D315 PolarHBondContact N-OD1 3.14Å
207P92.4Very high92.2Very high10 Ų1035.1 Ų35.17%0.06520%0.2CC..  trans-61.2151.6173.8-22.631.9000113V86 F87 C205 G209 R210 L213 L314V86-P207 HydrophobicContact CG1-CB 4.36Å; F87-P207 HydrophobicContact CD2-CG 4.32Å; F87-P207 HydrophobicContact CE2-CG 3.94Å; C205-P207 WeakPolarHBondContact O-CD 3.48Å; P207-G209 PolarHBondContact O-N 3.21Å; P207-R210 HydrophobicContact CB-CG 3.88Å; P207-R210 HydrophobicContact CG-CG 4.15Å; P207-R210 PolarHBondContact O-N 3.25Å; P207-L213 HydrophobicContact CG-CD1 4.25Å; P207-L213 HydrophobicContact CG-CD2 3.57Å; P207-L213 HydrophobicContact CG-CG 3.78Å; P207-L314 HydrophobicContact CB-CD1 4.28Å; P207-L314 HydrophobicContact CG-CD1 4.39Å
208P91.4Very high91.8Very high22 Ų2244.8 Ų44.814%0.14325%0.245CC..THydrogen-bonded Turntrans-44.1135.3168.4-33.840.5000113.3I11 V14 V86 R210I11-P208 HydrophobicContact CD1-CB 3.63Å; I11-P208 HydrophobicContact CD1-CG 4.2Å; V14-P208 HydrophobicContact CG1-CB 4.03Å; V86-P208 HydrophobicContact CG2-CG 4.48Å; P208-R210 VanDerWaalsContact C-N 3.3Å; P208-R210 PolarHBondContact O-N 3.11Å
209G89.5Confident91.7Very high20 Ų2048.5 Ų48.521%0.20627%0.271CS..THydrogen-bonded Turntrans75.81.9178.500000116.8T7 P207T7-G209 PolarHBondContact OG1-N 3.01Å; P207-G209 PolarHBondContact O-N 3.21Å
210R85.2Confident91.7Very high151 Ų15150.4 Ų50.457%0.5728%0.28SS*.SBendtrans-145.2166.1176.762.1-175.6-61.3177.82.6112.7P207 P208P207-R210 HydrophobicContact CB-CG 3.88Å; P207-R210 HydrophobicContact CG-CG 4.15Å; P207-R210 PolarHBondContact O-N 3.25Å; P208-R210 VanDerWaalsContact C-N 3.3Å; P208-R210 PolarHBondContact O-N 3.11Å
211G87.3Confident91.6Very high43 Ų4350.2 Ų50.244%0.44328%0.279SS..SBendtrans-74.8-168.7169.800000112.8
212P89.6Confident91.6Very high57 Ų5750.6 Ų50.637%0.3728%0.281SS..  trans-51.9141.2178.7-26.434.2000112.9C205 F214C205-P212 WeakPolarHBondContact O-CA 2.97Å; P212-F214 VanDerWaalsContact C-N 3.26Å; P212-F214 PolarHBondContact O-N 3.5Å
213L86.9Confident91.6Very high52 Ų5247.9 Ų47.927%0.27227%0.266SS..SBendtrans-61.9-35.5179.4-76.2-177.3000112.7F87 S204 C205 P207 H228F87-L213 HydrophobicContact CD2-CD1 4.07Å; F87-L213 HydrophobicContact CE2-CD1 3.82Å; S204-L213 PolarHBondContact OG-N 3.39Å; C205-L213 PolarHBondContact O-N 3.22Å; P207-L213 HydrophobicContact CG-CD1 4.25Å; P207-L213 HydrophobicContact CG-CD2 3.57Å; P207-L213 HydrophobicContact CG-CG 3.78Å; L213-H228 WeakPolarHBondContact CD1-O 2.98Å
214F88.2Confident91.6Very high40 Ų4046 Ų4618%0.17525%0.253CS..SBendtrans-150.7170.3175.755.7-89.2000109.7S204 P212 I216 G229S204-F214 WeakPolarHBondContact CB-O 3.27Å; S204-F214 WeakPolarHBondContact OG-CD1 3.31Å; S204-F214 WeakPolarHBondContact OG-CE1 3.11Å; S204-F214 WeakPolarHBondContact OG-CG 3.29Å; S204-F214 WeakPolarHBondContact OG-CZ 3.32Å; S204-F214 PolarHBondContact OG-N 3.04Å; S204-F214 PolarHBondContact OG-O 3.47Å; P212-F214 VanDerWaalsContact C-N 3.26Å; P212-F214 PolarHBondContact O-N 3.5Å; F214-I216 HydrophobicContact CD2-CG1 4.06Å; F214-I216 HydrophobicContact CE2-CD1 3.91Å; F214-I216 HydrophobicContact CE2-CG1 3.74Å; F214-G229 WeakPolarHBondContact CE1-O 3.49Å
215Q88.6Confident91.6Very high137 Ų13746 Ų4664%0.6425%0.253SS*.  trans-107.2133.9177.5-64.9-66.6-18.400110.4R235Q215-R235 PolarHBondContact O-NH1 3.44Å; Q215-R235 PolarHBondContact O-NH2 2.8Å
216I88.1Confident91.6Very high17 Ų1746 Ų469%0.08725%0.253CS..  trans-108.5137.5162.3-55.6-179.9000105.3F214 D220 E222F214-I216 HydrophobicContact CD2-CG1 4.06Å; F214-I216 HydrophobicContact CE2-CD1 3.91Å; F214-I216 HydrophobicContact CE2-CG1 3.74Å; I216-D220 HydrophobicContact CG2-CB 3.78Å; I216-D220 VanDerWaalsContact CG2-O 3.24Å; I216-D220 WeakPolarHBondContact CG2-O 2.99Å; I216-E222 HydrophobicContact CD1-CB 3.9Å
217S91.9Very high91.5Very high49 Ų4945.5 Ų45.534%0.34325%0.248SC..  trans-66.7154.7177.980.10000110.2S219 D220S217-S219 PolarHBondContact O-N 3.37Å; S217-S219 PolarHBondContact OG-OG 2.98Å; S217-D220 PolarHBondContact O-N 3.07Å; S217-D220 WeakPolarHBondContact OG-CB 3.14Å; S217-D220 PolarHBondContact OG-N 2.94Å; S217-D220 PolarHBondContact OG-OD2 2.57Å
218E91Very high91.1Very high203 Ų20346.4 Ų46.495%0.94925%0.252SS*.THydrogen-bonded Turntrans-58.7-22.8178.9-65.1-176.9172.500113.3
219S95.2Very high90.5Very high79 Ų7945.9 Ų45.955%0.55225%0.25SS*.THydrogen-bonded Turntrans-93.7-5.1178.856.80000114.2S217 P237 V238S217-S219 PolarHBondContact O-N 3.37Å; S217-S219 PolarHBondContact OG-OG 2.98Å; S219-P237 CarbonylContact O-C 3.58Å; S219-P237 VanDerWaalsContact O-CA 3.24Å; S219-P237 WeakPolarHBondContact O-CA 3.5Å; S219-V238 PolarHBondContact O-N 3.49Å
220D97.1Very high90.4Very high45 Ų4547.4 Ų47.424%0.24125%0.252CS..EExtended strand (participates in β ladder)trans-113.2159.4-175-66.4-32.4000113.1I216 S217 L236 V238I216-D220 HydrophobicContact CG2-CB 3.78Å; I216-D220 VanDerWaalsContact CG2-O 3.24Å; I216-D220 WeakPolarHBondContact CG2-O 2.99Å; S217-D220 PolarHBondContact O-N 3.07Å; S217-D220 WeakPolarHBondContact OG-CB 3.14Å; S217-D220 PolarHBondContact OG-N 2.94Å; S217-D220 PolarHBondContact OG-OD2 2.57Å; D220-L236 CarbonylContact C-O 3.51Å; D220-L236 VanDerWaalsContact CA-O 3.29Å; D220-L236 WeakPolarHBondContact CA-O 3.31Å; D220-V238 WeakPolarHBondContact O-CG2 3.45Å
221M97Very high90.5Very high2 Ų245 Ų451%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-131.3159.7167.166.7-175.3-17500109.5V200 S201 L202 R235 L236 V238 K239 T244 L247V200-M221 HydrophobicContact CG2-CB 4.28Å; V200-M221 HydrophobicContact CG2-CG 4.25Å; V200-M221 HydrophobicContact CG2-SD 4.1Å; S201-M221 CarbonylContact O-C 3.36Å; S201-M221 WeakPolarHBondContact O-CA 3.31Å; L202-M221 HydrophobicContact CD2-CB 3.76Å; M221-R235 WeakPolarHBondContact O-CA 3.41Å; M221-L236 HydrophobicContact CE-CD1 3.69Å; M221-L236 HydrophobicContact CE-CD2 4.09Å; M221-L236 HydrophobicContact CE-CG 3.8Å; M221-L236 HydrophobicContact CG-CD2 3.88Å; M221-L236 HydrophobicContact CG-CG 4.01Å; M221-L236 PolarHBondContact N-O 2.8Å; M221-L236 PolarHBondContact O-N 3.47Å; M221-V238 HydrophobicContact CB-CG2 4.34Å; M221-K239 HydrophobicContact CE-CB 3.95Å; M221-K239 HydrophobicContact CE-CD 3.75Å; M221-K239 HydrophobicContact CE-CG 3.61Å; M221-T244 HydrophobicContact CE-CG2 4.39Å; M221-T244 HydrophobicContact SD-CG2 4.18Å; M221-L247 HydrophobicContact CE-CD2 3.91Å
222E96.9Very high90.6Very high8 Ų843.7 Ų43.74%0.03724%0.242CC..EExtended strand (participates in β ladder)trans-117.5122.1179-170.7159.9164.300110.9V200 S201 I216 L225 P231 G232 R235V200-E222 VanDerWaalsContact CA-O 3.27Å; V200-E222 WeakPolarHBondContact CA-O 3.44Å; V200-E222 WeakPolarHBondContact CG2-O 3.43Å; S201-E222 PolarHBondContact N-O 2.87Å; S201-E222 PolarHBondContact O-N 3.43Å; I216-E222 HydrophobicContact CD1-CB 3.9Å; E222-L225 HydrophobicContact CB-CD2 4.36Å; E222-L225 HydrophobicContact CG-CB 4.46Å; E222-L225 WeakPolarHBondContact O-CD2 3.27Å; E222-P231 WeakPolarHBondContact OE1-CA 3.07Å; E222-G232 PolarHBondContact OE1-N 2.94Å; E222-R235 HydrophobicContact CB-CG 4.19Å; E222-R235 HydrophobicContact CG-CG 4.06Å; E222-R235 IonicContact OE2-CZ 3.49Å; E222-R235 IonicContact OE2-NE 3.32Å; E222-R235 PolarHBondContact OE2-NE 2.82Å; E222-R235 IonicContact OE2-NH2 3.72Å; E222-R235 PolarHBondContact OE2-NH2 3.06Å
223L97Very high90.7Very high2 Ų243.7 Ų43.71%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-90130.3179.9177.869000110.4I198 G232 V233 C234 L236 L247 M248 H251I198-L223 HydrophobicContact CD1-CD1 3.87Å; I198-L223 HydrophobicContact CD1-CG 4.36Å; I198-L223 HydrophobicContact CG1-CD1 4.17Å; L223-G232 CarbonylContact O-C 3.31Å; L223-G232 WeakPolarHBondContact O-CA 3.46Å; L223-V233 HydrophobicContact CD2-CB 4.37Å; L223-V233 HydrophobicContact CD2-CG2 4.5Å; L223-V233 HydrophobicContact CG-CB 4.46Å; L223-V233 HydrophobicContact CG-CG2 4.42Å; L223-V233 PolarHBondContact O-N 2.77Å; L223-C234 PolarHBondContact N-O 3.08Å; L223-L236 HydrophobicContact CB-CD2 4.15Å; L223-L247 HydrophobicContact CD1-CD2 4.49Å; L223-L247 HydrophobicContact CD1-CG 4.47Å; L223-L247 HydrophobicContact CD2-CD1 4.21Å; L223-L247 HydrophobicContact CD2-CD2 4.18Å; L223-L247 HydrophobicContact CD2-CG 3.99Å; L223-M248 HydrophobicContact CD1-CB 4.47Å; L223-M248 HydrophobicContact CD1-CG 3.65Å; L223-H251 HydrophobicContact CD2-CB 4.44Å
224G95Very high91.1Very high0 Ų044 Ų440%025%0.247CC..SBendtrans75.224.1167.200000115A148 R159 G199 G232A148-G224 VanDerWaalsContact CB-O 3.32Å; A148-G224 WeakPolarHBondContact CB-O 3.45Å; R159-G224 PolarHBondContact NH2-O 3.46Å; G199-G224 WeakPolarHBondContact O-CA 3.44Å; G199-G224 PolarHBondContact O-N 2.86Å; G224-G232 VanDerWaalsContact C-CA 3.41Å; G224-G232 VanDerWaalsContact O-CA 3.23Å; G224-G232 WeakPolarHBondContact O-CA 3.16Å
225L92.6Very high91.4Very high8 Ų847.9 Ų47.94%0.04226%0.26CS..  trans-61157.7173.165.5124.7000112.5S201 E222 E230 M316S201-L225 VanDerWaalsContact CB-CD2 3.48Å; S201-L225 WeakPolarHBondContact OG-CD2 3.31Å; E222-L225 HydrophobicContact CB-CD2 4.36Å; E222-L225 HydrophobicContact CG-CB 4.46Å; E222-L225 WeakPolarHBondContact O-CD2 3.27Å; L225-E230 WeakPolarHBondContact CA-O 3.06Å; L225-E230 WeakPolarHBondContact CB-O 3.46Å; L225-M316 HydrophobicContact CD1-CE 3.47Å; L225-M316 VanDerWaalsContact CD1-CE 3.47Å; L225-M316 HydrophobicContact CD1-SD 3.27Å; L225-M316 WeakPolarHBondContact CD1-SD 3.4Å
226G91.2Very high91.8Very high1 Ų142.6 Ų42.61%0.0124%0.236CC..  trans-85.3163.2176.800000112.8R159 H228 G229 E230R159-G226 VanDerWaalsContact NH1-CA 3.31Å; G226-H228 PolarHBondContact O-N 3.46Å; G226-H228 VanDerWaalsContact O-N 3.15Å; G226-G229 PolarHBondContact O-N 3.42Å; G226-E230 VanDerWaalsContact C-OE2 3.26Å; G226-E230 VanDerWaalsContact CA-OE2 3.23Å; G226-E230 WeakPolarHBondContact CA-OE2 3.41Å; G226-E230 PolarHBondContact N-O 3.02Å
227I90.1Very high92.3Very high10 Ų1045.7 Ų45.75%0.05126%0.258CS..THydrogen-bonded Turntrans-62.6-22.1-178.148.8165.8000113.4H65 I113 Y115 L161 G229 M311 S313H65-I227 PolarHBondContact CE1-O 3.33Å; I113-I227 HydrophobicContact CD1-CD1 4.44Å; Y115-I227 HydrophobicContact CE2-CD1 3.77Å; Y115-I227 HydrophobicContact CE2-CG1 3.71Å; Y115-I227 WeakPolarHBondContact OH-CG1 3.46Å; Y115-I227 PolarHBondContact OH-N 3.35Å; L161-I227 HydrophobicContact CD2-CB 4.39Å; L161-I227 HydrophobicContact CD2-CG1 4.1Å; L161-I227 HydrophobicContact CD2-CG2 3.79Å; I227-G229 VanDerWaalsContact C-N 3.33Å; I227-M311 HydrophobicContact CD1-SD 4.26Å; I227-M311 HydrophobicContact CG2-CG 4.28Å; I227-M311 HydrophobicContact CG2-SD 4.01Å; I227-S313 VanDerWaalsContact O-CB 3.27Å; I227-S313 WeakPolarHBondContact O-CB 3.38Å; I227-S313 PolarHBondContact O-OG 2.76Å
228H82.5Confident92.6Very high28 Ų2846.6 Ų46.613%0.1326%0.261CS..THydrogen-bonded Turntrans-92.48.1175.1-42.2118.7000113.1H65 F87 Y115 L213 G226 E230H65-H228 AromaticContact CE1-CD2 3.64Å; H65-H228 AromaticContact NE2-CD2 3.12Å; H65-H228 PolarHBondContact NE2-CD2 2.78Å; H65-H228 AromaticContact NE2-NE2 3.37Å; H65-H228 PolarHBondContact NE2-NE2 2.67Å; F87-H228 HydrophobicContact CB-CB 4.31Å; F87-H228 AromaticContact CD1-CD2 3.86Å; F87-H228 HydrophobicContact CG-CB 4.34Å; Y115-H228 AromaticContact CD1-CE1 3.47Å; Y115-H228 VanDerWaalsContact CD1-CE1 3.47Å; Y115-H228 WeakPolarHBondContact CD1-CE1 3Å; Y115-H228 AromaticContact CD1-ND1 3.67Å; Y115-H228 AromaticContact CD2-CE1 3.83Å; Y115-H228 AromaticContact CE1-CE1 3.48Å; Y115-H228 VanDerWaalsContact CE1-CE1 3.48Å; Y115-H228 WeakPolarHBondContact CE1-CE1 3.19Å; Y115-H228 AromaticContact CE1-ND1 3.36Å; Y115-H228 WeakPolarHBondContact CE1-ND1 3.41Å; Y115-H228 AromaticContact CE2-CE1 3.82Å; Y115-H228 AromaticContact CG-CE1 3.63Å; Y115-H228 AromaticContact CZ-CE1 3.61Å; Y115-H228 AromaticContact CZ-ND1 3.7Å; L213-H228 WeakPolarHBondContact CD1-O 2.98Å; G226-H228 PolarHBondContact O-N 3.46Å; G226-H228 VanDerWaalsContact O-N 3.15Å; H228-E230 WeakPolarHBondContact CB-OE1 3.38Å; H228-E230 WeakPolarHBondContact CB-OE2 3.36Å; H228-E230 IonicContact CE1-OE1 2.8Å; H228-E230 IonicContact CG-OE1 2.82Å; H228-E230 IonicContact CG-OE2 3.44Å; H228-E230 PolarHBondContact N-OE2 3.4Å; H228-E230 VanDerWaalsContact N-OE2 3.08Å; H228-E230 IonicContact ND1-OE1 2.78Å; H228-E230 PolarHBondContact ND1-OE1 2.7Å; H228-E230 IonicContact ND1-OE2 3.63Å
229G80.5Confident92.9Very high11 Ų1140.8 Ų40.811%0.11323%0.233CC..  trans82.321.1-174.300000114F214 G226 I227F214-G229 WeakPolarHBondContact CE1-O 3.49Å; G226-G229 PolarHBondContact O-N 3.42Å; I227-G229 VanDerWaalsContact C-N 3.33Å
230E86.3Confident93.1Very high53 Ų5339.9 Ų39.925%0.24823%0.226CC..  trans-65147.2172-58.896.4152.600111.3Y115 L225 G226 H228 G232Y115-E230 WeakPolarHBondContact CE1-OE1 3.42Å; L225-E230 WeakPolarHBondContact CA-O 3.06Å; L225-E230 WeakPolarHBondContact CB-O 3.46Å; G226-E230 VanDerWaalsContact C-OE2 3.26Å; G226-E230 VanDerWaalsContact CA-OE2 3.23Å; G226-E230 WeakPolarHBondContact CA-OE2 3.41Å; G226-E230 PolarHBondContact N-O 3.02Å; H228-E230 WeakPolarHBondContact CB-OE1 3.38Å; H228-E230 WeakPolarHBondContact CB-OE2 3.36Å; H228-E230 IonicContact CE1-OE1 2.8Å; H228-E230 IonicContact CG-OE1 2.82Å; H228-E230 IonicContact CG-OE2 3.44Å; H228-E230 PolarHBondContact N-OE2 3.4Å; H228-E230 VanDerWaalsContact N-OE2 3.08Å; H228-E230 IonicContact ND1-OE1 2.78Å; H228-E230 PolarHBondContact ND1-OE1 2.7Å; H228-E230 IonicContact ND1-OE2 3.63Å; E230-G232 PolarHBondContact O-N 3.41Å
231P87.9Confident93.1Very high101 Ų10139.1 Ų39.166%0.65623%0.226SC*.  trans-49.7137.9178.3-2834.8000112.7R159 E222R159-P231 PolarHBondContact NH1-O 2.71Å; E222-P231 WeakPolarHBondContact OE1-CA 3.07Å
232G89.9Confident93.2Very high15 Ų1540.9 Ų40.916%0.15524%0.241CC..  trans-86.6-153.6174.700000113.8E222 L223 G224 E230E222-G232 PolarHBondContact OE1-N 2.94Å; L223-G232 CarbonylContact O-C 3.31Å; L223-G232 WeakPolarHBondContact O-CA 3.46Å; G224-G232 VanDerWaalsContact C-CA 3.41Å; G224-G232 VanDerWaalsContact O-CA 3.23Å; G224-G232 WeakPolarHBondContact O-CA 3.16Å; E230-G232 PolarHBondContact O-N 3.41Å
233V91.9Very high93.3Very high57 Ų5745.5 Ų45.535%0.34526%0.263SS..SBendtrans-68.6-52174.2-175.50000110.4A148 L223A148-V233 HydrophobicContact CB-CG2 3.79Å; A148-V233 WeakPolarHBondContact O-CG2 3.12Å; L223-V233 HydrophobicContact CD2-CB 4.37Å; L223-V233 HydrophobicContact CD2-CG2 4.5Å; L223-V233 HydrophobicContact CG-CB 4.46Å; L223-V233 HydrophobicContact CG-CG2 4.42Å; L223-V233 PolarHBondContact O-N 2.77Å
234C93.6Very high93.4Very high57 Ų5746 Ų4639%0.38527%0.265SS..EExtended strand (participates in β ladder)trans-165.6162.5-177.761.40000112L223L223-C234 PolarHBondContact N-O 3.08Å
235R95.3Very high93.6Very high123 Ų12346 Ų4646%0.46427%0.266SS..EExtended strand (participates in β ladder)trans-98.8141.8163.4-66.2178.7179.3-167.6-4.2109.5Q215 M221 E222Q215-R235 PolarHBondContact O-NH1 3.44Å; Q215-R235 PolarHBondContact O-NH2 2.8Å; M221-R235 WeakPolarHBondContact O-CA 3.41Å; E222-R235 HydrophobicContact CB-CG 4.19Å; E222-R235 HydrophobicContact CG-CG 4.06Å; E222-R235 IonicContact OE2-CZ 3.49Å; E222-R235 IonicContact OE2-NE 3.32Å; E222-R235 PolarHBondContact OE2-NE 2.82Å; E222-R235 IonicContact OE2-NH2 3.72Å; E222-R235 PolarHBondContact OE2-NH2 3.06Å
236L97.1Very high93.8Very high26 Ų2649.1 Ų49.114%0.13628%0.282CS..EExtended strand (participates in β ladder)trans-154.3162-177.368.6160.4000111D220 M221 L223 L247D220-L236 CarbonylContact C-O 3.51Å; D220-L236 VanDerWaalsContact CA-O 3.29Å; D220-L236 WeakPolarHBondContact CA-O 3.31Å; M221-L236 HydrophobicContact CE-CD1 3.69Å; M221-L236 HydrophobicContact CE-CD2 4.09Å; M221-L236 HydrophobicContact CE-CG 3.8Å; M221-L236 HydrophobicContact CG-CD2 3.88Å; M221-L236 HydrophobicContact CG-CG 4.01Å; M221-L236 PolarHBondContact N-O 2.8Å; M221-L236 PolarHBondContact O-N 3.47Å; L223-L236 HydrophobicContact CB-CD2 4.15Å; L236-L247 HydrophobicContact CD1-CD2 3.37Å; L236-L247 HydrophobicContact CD2-CD2 4.29Å; L236-L247 HydrophobicContact CG-CD2 4.45Å
237P98Very high94.2Very high82 Ų8251.3 Ų51.353%0.53229%0.294SS..EExtended strand (participates in β ladder)trans-57.8142.5178.5-26.535.3000112.7S219 K239S219-P237 CarbonylContact O-C 3.58Å; S219-P237 VanDerWaalsContact O-CA 3.24Å; S219-P237 WeakPolarHBondContact O-CA 3.5Å; P237-K239 WeakPolarHBondContact O-CG 3.3Å
238V98Very high94.6Very high68 Ų6850.9 Ų50.941%0.41229%0.291SS..  trans-53.6137.3173.7175.30000110L202 S219 D220 M221L202-V238 HydrophobicContact CD2-CG1 4.17Å; L202-V238 HydrophobicContact CD2-CG2 3.84Å; S219-V238 PolarHBondContact O-N 3.49Å; D220-V238 WeakPolarHBondContact O-CG2 3.45Å; M221-V238 HydrophobicContact CB-CG2 4.34Å
239K98Very high95.3Very high81 Ų8149.5 Ų49.535%0.35229%0.285SS..  trans-120.4169.5-180-60.5-175.8-179.5-61.10111.1M221 P237 E243M221-K239 HydrophobicContact CE-CB 3.95Å; M221-K239 HydrophobicContact CE-CD 3.75Å; M221-K239 HydrophobicContact CE-CG 3.61Å; P237-K239 WeakPolarHBondContact O-CG 3.3Å; K239-E243 HydrophobicContact CB-CB 3.8Å; K239-E243 HydrophobicContact CD-CB 4.01Å; K239-E243 HydrophobicContact CG-CB 4.44Å
240S98.6Very high96.2Very high59 Ų5951.1 Ų51.141%0.41330%0.295SS..  trans-60.8160.8166.567.20000111.1A242 E243 T244S240-A242 VanDerWaalsContact C-N 3.27Å; S240-A242 PolarHBondContact O-N 2.67Å; S240-E243 WeakPolarHBondContact CB-OE2 3.42Å; S240-E243 PolarHBondContact N-OE2 3.03Å; S240-E243 PolarHBondContact O-N 3.33Å; S240-E243 WeakPolarHBondContact OG-CB 3.39Å; S240-E243 VanDerWaalsContact OG-CD 3.29Å; S240-E243 VanDerWaalsContact OG-CG 3.25Å; S240-E243 WeakPolarHBondContact OG-CG 3.42Å; S240-E243 PolarHBondContact OG-N 2.76Å; S240-E243 PolarHBondContact OG-OE2 3.2Å; S240-T244 WeakPolarHBondContact O-CB 3.33Å; S240-T244 PolarHBondContact O-N 3.18Å; S240-T244 PolarHBondContact O-OG1 3.4Å
241A98.6Very high96.7Very high30 Ų3050.8 Ų50.825%0.24829%0.293CS..Hα-helixtrans-55.8-42176.200000112.3T244 V245 I286 L287 E290A241-T244 PolarHBondContact O-N 3.38Å; A241-V245 WeakPolarHBondContact O-CG2 3.46Å; A241-V245 PolarHBondContact O-N 3.48Å; A241-I286 HydrophobicContact CB-CG2 3.57Å; A241-L287 HydrophobicContact CB-CD2 4.06Å; A241-E290 HydrophobicContact CB-CG 4.41Å
242A98.6Very high97.2Very high39 Ų3946 Ų4632%0.32226%0.262SS..Hα-helixtrans-63.2-47.2179.700000112.2S240 D246 E290S240-A242 VanDerWaalsContact C-N 3.27Å; S240-A242 PolarHBondContact O-N 2.67Å; A242-D246 WeakPolarHBondContact O-CB 3.44Å; A242-D246 PolarHBondContact O-N 3.37Å; A242-E290 HydrophobicContact CB-CG 4.1Å; A242-E290 WeakPolarHBondContact CB-OE2 3.44Å
243E98.7Very high97.5Very high105 Ų10546.5 Ų46.549%0.49126%0.262SS..Hα-helixtrans-68.7-34.5177.9-68.6167.3125.900112.4K239 S240 D246 L247K239-E243 HydrophobicContact CB-CB 3.8Å; K239-E243 HydrophobicContact CD-CB 4.01Å; K239-E243 HydrophobicContact CG-CB 4.44Å; S240-E243 WeakPolarHBondContact CB-OE2 3.42Å; S240-E243 PolarHBondContact N-OE2 3.03Å; S240-E243 PolarHBondContact O-N 3.33Å; S240-E243 WeakPolarHBondContact OG-CB 3.39Å; S240-E243 VanDerWaalsContact OG-CD 3.29Å; S240-E243 VanDerWaalsContact OG-CG 3.25Å; S240-E243 WeakPolarHBondContact OG-CG 3.42Å; S240-E243 PolarHBondContact OG-N 2.76Å; S240-E243 PolarHBondContact OG-OE2 3.2Å; E243-D246 PolarHBondContact O-N 2.89Å; E243-L247 WeakPolarHBondContact O-CB 3.43Å; E243-L247 PolarHBondContact O-N 2.81Å
244T98.8Very high97.7Very high11 Ų1148.1 Ų48.17%0.06727%0.266CS..Hα-helixtrans-66.2-46.8176.8-58.80000110.9V200 M221 S240 A241 D246 L247 M248 F319V200-T244 HydrophobicContact CB-CG2 4.44Å; V200-T244 HydrophobicContact CG1-CG2 3.8Å; V200-T244 HydrophobicContact CG2-CG2 4.23Å; M221-T244 HydrophobicContact CE-CG2 4.39Å; M221-T244 HydrophobicContact SD-CG2 4.18Å; S240-T244 WeakPolarHBondContact O-CB 3.33Å; S240-T244 PolarHBondContact O-N 3.18Å; S240-T244 PolarHBondContact O-OG1 3.4Å; A241-T244 PolarHBondContact O-N 3.38Å; T244-D246 VanDerWaalsContact C-N 3.34Å; T244-L247 PolarHBondContact O-N 2.89Å; T244-M248 HydrophobicContact CG2-SD 4.08Å; T244-M248 WeakPolarHBondContact O-CB 3.26Å; T244-M248 VanDerWaalsContact O-CG 3.29Å; T244-M248 WeakPolarHBondContact O-CG 3.23Å; T244-M248 PolarHBondContact O-N 3.31Å; T244-F319 HydrophobicContact CG2-CE1 4.24Å
245V98.8Very high97.7Very high2 Ų250 Ų501%0.01228%0.277CS..Hα-helixtrans-61.9-43.6174.41690000110.7A241 L247 M248 M249 L287 E290 V291 W294 F319A241-V245 WeakPolarHBondContact O-CG2 3.46Å; A241-V245 PolarHBondContact O-N 3.48Å; V245-L247 VanDerWaalsContact C-N 3.34Å; V245-L247 PolarHBondContact O-N 2.9Å; V245-M248 PolarHBondContact O-N 2.92Å; V245-M249 HydrophobicContact CG1-CG 3.88Å; V245-M249 WeakPolarHBondContact O-CB 3.32Å; V245-M249 WeakPolarHBondContact O-CG 3.45Å; V245-M249 PolarHBondContact O-N 2.94Å; V245-L287 HydrophobicContact CG2-CD2 4.22Å; V245-E290 HydrophobicContact CB-CB 4.22Å; V245-E290 HydrophobicContact CG1-CB 4.49Å; V245-E290 HydrophobicContact CG2-CB 3.95Å; V245-V291 HydrophobicContact CG1-CB 4.5Å; V245-V291 HydrophobicContact CG1-CG2 3.88Å; V245-V291 HydrophobicContact CG2-CG2 3.95Å; V245-W294 HydrophobicContact CG1-CB 4.07Å; V245-W294 HydrophobicContact CG1-CG 4.46Å; V245-F319 HydrophobicContact CG2-CE2 4.43Å; V245-F319 HydrophobicContact CG2-CZ 4.05Å
246D98.7Very high97.5Very high72 Ų7249.2 Ų49.239%0.38529%0.286SS..Hα-helixtrans-59.8-44.3178-172.469.4000112.4A242 E243 T244 S250 W294A242-D246 WeakPolarHBondContact O-CB 3.44Å; A242-D246 PolarHBondContact O-N 3.37Å; E243-D246 PolarHBondContact O-N 2.89Å; T244-D246 VanDerWaalsContact C-N 3.34Å; D246-S250 WeakPolarHBondContact O-CB 3.09Å; D246-S250 PolarHBondContact O-N 2.67Å; D246-S250 PolarHBondContact O-OG 3.4Å; D246-W294 PolarHBondContact OD1-NE1 3.37Å
247L98.4Very high97.2Very high48 Ų4848.2 Ų48.225%0.25128%0.281SS..Hα-helixtrans-58.7-50.7174.3173.268.3000111.9M221 L223 L236 E243 T244 V245 H251M221-L247 HydrophobicContact CE-CD2 3.91Å; L223-L247 HydrophobicContact CD1-CD2 4.49Å; L223-L247 HydrophobicContact CD1-CG 4.47Å; L223-L247 HydrophobicContact CD2-CD1 4.21Å; L223-L247 HydrophobicContact CD2-CD2 4.18Å; L223-L247 HydrophobicContact CD2-CG 3.99Å; L236-L247 HydrophobicContact CD1-CD2 3.37Å; L236-L247 HydrophobicContact CD2-CD2 4.29Å; L236-L247 HydrophobicContact CG-CD2 4.45Å; E243-L247 WeakPolarHBondContact O-CB 3.43Å; E243-L247 PolarHBondContact O-N 2.81Å; T244-L247 PolarHBondContact O-N 2.89Å; V245-L247 VanDerWaalsContact C-N 3.34Å; V245-L247 PolarHBondContact O-N 2.9Å; L247-H251 WeakPolarHBondContact O-CB 3.23Å; L247-H251 PolarHBondContact O-N 2.82Å
248M98.6Very high96.8Very high0 Ų048.6 Ų48.60%028%0.282CS..Hα-helixtrans-59.6-52.6-179-75.5171.972.100111.3I198 V200 L223 T244 V245 H251 M252 F319 V321I198-M248 WeakPolarHBondContact CD1-O 3.47Å; I198-M248 HydrophobicContact CG2-CB 3.83Å; I198-M248 HydrophobicContact CG2-CE 4.06Å; I198-M248 HydrophobicContact CG2-CG 4.45Å; I198-M248 WeakPolarHBondContact O-CE 3.36Å; V200-M248 HydrophobicContact CB-CE 4.46Å; V200-M248 HydrophobicContact CB-CG 4.38Å; V200-M248 HydrophobicContact CB-SD 3.86Å; V200-M248 HydrophobicContact CG1-CE 4.18Å; V200-M248 HydrophobicContact CG1-SD 3.47Å; V200-M248 WeakPolarHBondContact CG1-SD 3.44Å; L223-M248 HydrophobicContact CD1-CB 4.47Å; L223-M248 HydrophobicContact CD1-CG 3.65Å; T244-M248 HydrophobicContact CG2-SD 4.08Å; T244-M248 WeakPolarHBondContact O-CB 3.26Å; T244-M248 VanDerWaalsContact O-CG 3.29Å; T244-M248 WeakPolarHBondContact O-CG 3.23Å; T244-M248 PolarHBondContact O-N 3.31Å; V245-M248 PolarHBondContact O-N 2.92Å; M248-H251 PolarHBondContact O-N 2.88Å; M248-M252 WeakPolarHBondContact O-CB 3.42Å; M248-M252 PolarHBondContact O-N 2.91Å; M248-F319 HydrophobicContact CE-CD2 4.3Å; M248-F319 HydrophobicContact CE-CE1 4.37Å; M248-F319 HydrophobicContact CE-CE2 3.78Å; M248-F319 HydrophobicContact CE-CZ 3.79Å; M248-F319 HydrophobicContact SD-CE1 3.78Å; M248-F319 HydrophobicContact SD-CE2 3.89Å; M248-F319 HydrophobicContact SD-CZ 3.28Å; M248-F319 WeakPolarHBondContact SD-CZ 3.4Å; M248-V321 HydrophobicContact CE-CG2 4.05Å
249M98.4Very high96.6Very high0 Ų045.6 Ų45.60%026%0.264CS..Hα-helixtrans-68.4-41.4-175.2-62.1-61.3-73.700111V245 H251 M252 T253 W294 L295 V321 L323V245-M249 HydrophobicContact CG1-CG 3.88Å; V245-M249 WeakPolarHBondContact O-CB 3.32Å; V245-M249 WeakPolarHBondContact O-CG 3.45Å; V245-M249 PolarHBondContact O-N 2.94Å; M249-H251 VanDerWaalsContact C-N 3.35Å; M249-H251 PolarHBondContact O-N 3.31Å; M249-M252 HydrophobicContact CE-CE 3.63Å; M249-M252 PolarHBondContact O-N 2.9Å; M249-M252 HydrophobicContact SD-CE 3.63Å; M249-T253 PolarHBondContact O-N 3.17Å; M249-T253 PolarHBondContact O-OG1 2.85Å; M249-W294 HydrophobicContact CB-CD2 3.47Å; M249-W294 VanDerWaalsContact CB-CD2 3.47Å; M249-W294 HydrophobicContact CB-CE3 3.7Å; M249-W294 HydrophobicContact CB-CG 4.1Å; M249-W294 HydrophobicContact CB-CH2 3.72Å; M249-W294 HydrophobicContact CB-CZ2 3.49Å; M249-W294 VanDerWaalsContact CB-CZ2 3.49Å; M249-W294 HydrophobicContact CB-CZ3 3.81Å; M249-W294 HydrophobicContact CE-CD2 4.43Å; M249-W294 HydrophobicContact CE-CE3 3.59Å; M249-W294 HydrophobicContact CE-CZ3 3.66Å; M249-W294 HydrophobicContact CG-CD2 3.88Å; M249-W294 HydrophobicContact CG-CE3 3.98Å; M249-W294 HydrophobicContact CG-CG 4.18Å; M249-W294 HydrophobicContact CG-CZ3 4.42Å; M249-L295 HydrophobicContact CE-CD2 3.73Å; M249-L295 HydrophobicContact CE-CG 4.14Å; M249-V321 HydrophobicContact CE-CG1 4.39Å; M249-V321 HydrophobicContact SD-CB 4.15Å; M249-V321 HydrophobicContact SD-CG1 3.74Å; M249-V321 HydrophobicContact SD-CG2 4.49Å; M249-L323 HydrophobicContact CE-CD1 3.93Å; M249-L323 HydrophobicContact CE-CD2 4.27Å; M249-L323 HydrophobicContact CE-CG 4.41Å
250S97.8Very high96.4Very high45 Ų4546 Ų4632%0.31526%0.263SS..Hα-helixtrans-60.5-42.1175.3-65.10000112.2D246 H254D246-S250 WeakPolarHBondContact O-CB 3.09Å; D246-S250 PolarHBondContact O-N 2.67Å; D246-S250 PolarHBondContact O-OG 3.4Å; S250-H254 WeakPolarHBondContact O-CA 3.3Å; S250-H254 VanDerWaalsContact O-CB 3.3Å; S250-H254 WeakPolarHBondContact O-CB 3.49Å; S250-H254 PolarHBondContact O-N 2.75Å
251H97.3Very high96.4Very high45 Ų4543.6 Ų43.621%0.20825%0.245CC..Hα-helixtrans-64.1-49.6174.8-174.396.4000111.3C147 A148 I198 L223 L247 M248 M249 T253 H254C147-H251 PolarHBondContact O-CD2 3.28Å; C147-H251 PolarHBondContact O-NE2 2.8Å; A148-H251 PolarHBondContact O-NE2 3.04Å; I198-H251 HydrophobicContact CD1-CB 3.8Å; L223-H251 HydrophobicContact CD2-CB 4.44Å; L247-H251 WeakPolarHBondContact O-CB 3.23Å; L247-H251 PolarHBondContact O-N 2.82Å; M248-H251 PolarHBondContact O-N 2.88Å; M249-H251 VanDerWaalsContact C-N 3.35Å; M249-H251 PolarHBondContact O-N 3.31Å; H251-T253 PolarHBondContact O-N 2.87Å; H251-H254 PolarHBondContact O-N 2.96Å
252M97.5Very high96.2Very high0 Ų046.5 Ų46.50%025%0.254CS..Hα-helixtrans-60-33.2-178.7-177.8-17969.300112.6C147 I198 M248 M249 R260 F261 L323C147-M252 HydrophobicContact CB-CB 4.2Å; C147-M252 HydrophobicContact CB-CG 3.68Å; I198-M252 HydrophobicContact CB-CB 4.24Å; I198-M252 HydrophobicContact CD1-CB 4.46Å; I198-M252 HydrophobicContact CG2-CB 3.9Å; I198-M252 HydrophobicContact CG2-CG 4.38Å; I198-M252 HydrophobicContact CG2-SD 4.03Å; M248-M252 WeakPolarHBondContact O-CB 3.42Å; M248-M252 PolarHBondContact O-N 2.91Å; M249-M252 HydrophobicContact CE-CE 3.63Å; M249-M252 PolarHBondContact O-N 2.9Å; M249-M252 HydrophobicContact SD-CE 3.63Å; M252-R260 CarbonylContact O-C 3.49Å; M252-R260 WeakPolarHBondContact O-CA 3.15Å; M252-R260 WeakPolarHBondContact O-CB 3.39Å; M252-F261 HydrophobicContact CG-CB 3.9Å; M252-F261 PolarHBondContact O-N 3.34Å; M252-F261 HydrophobicContact SD-CB 4.41Å; M252-L323 HydrophobicContact CE-CD1 3.27Å; M252-L323 HydrophobicContact CE-CG 3.57Å; M252-L323 HydrophobicContact SD-CG 4.39Å
253T97.4Very high96.1Very high27 Ų2745.9 Ų45.917%0.16625%0.245CC..THydrogen-bonded Turntrans-106.47.6-177.5650000114.1M249 H251 F261 L263 W294M249-T253 PolarHBondContact O-N 3.17Å; M249-T253 PolarHBondContact O-OG1 2.85Å; H251-T253 PolarHBondContact O-N 2.87Å; T253-F261 HydrophobicContact CG2-CD1 4.44Å; T253-L263 HydrophobicContact CG2-CB 3.88Å; T253-L263 HydrophobicContact CG2-CD2 4.15Å; T253-W294 HydrophobicContact CG2-CH2 4.26Å
254H95.9Very high96Very high91 Ų9147.3 Ų47.342%0.42125%0.25SC..  trans-61.9125.6-172.5-161.2-89.3000111.7S250 H251 T256 S257 R260S250-H254 WeakPolarHBondContact O-CA 3.3Å; S250-H254 VanDerWaalsContact O-CB 3.3Å; S250-H254 WeakPolarHBondContact O-CB 3.49Å; S250-H254 PolarHBondContact O-N 2.75Å; H251-H254 PolarHBondContact O-N 2.96Å; H254-T256 PolarHBondContact CE1-OG1 3.05Å; H254-T256 PolarHBondContact ND1-N 2.87Å; H254-T256 PolarHBondContact ND1-OG1 2.85Å; H254-T256 PolarHBondContact O-N 3.2Å; H254-S257 PolarHBondContact O-N 2.89Å; H254-R260 WeakPolarHBondContact O-CD 3.29Å
255P93.1Very high95.7Very high97 Ų9753.2 Ų53.263%0.6328%0.276SS*.THydrogen-bonded Turntrans-58.5-26.4-173.5-2835.2000115.3R260P255-R260 PolarHBondContact O-NH1 3.11Å
256T91.1Very high95.5Very high106 Ų10656 Ų5665%0.6530%0.3SS*.THydrogen-bonded Turntrans-85-14.4179.668.20000113.7H254H254-T256 PolarHBondContact CE1-OG1 3.05Å; H254-T256 PolarHBondContact ND1-N 2.87Å; H254-T256 PolarHBondContact ND1-OG1 2.85Å; H254-T256 PolarHBondContact O-N 3.2Å
257S91Very high95.4Very high4 Ų453 Ų533%0.02828%0.284CS..  trans-74.2134.5179.81710000110.6H254 T259 R260H254-S257 PolarHBondContact O-N 2.89Å; S257-T259 VanDerWaalsContact C-N 3.29Å; S257-T259 PolarHBondContact OG-N 3.2Å; S257-T259 PolarHBondContact OG-OG1 2.68Å; S257-R260 WeakPolarHBondContact O-CD 3.22Å; S257-R260 WeakPolarHBondContact O-CG 3.3Å; S257-R260 PolarHBondContact O-NH1 3.16Å; S257-R260 PolarHBondContact OG-N 3.36Å
258T90.4Very high95.3Very high91 Ų9151.8 Ų51.856%0.55828%0.279SS*.THydrogen-bonded Turntrans-77.8-16.4175.558.70000112.8S151S151-T258 PolarHBondContact OG-OG1 2.87Å; S151-T258 VanDerWaalsContact OG-OG1 3.05Å
259T92.7Very high95.3Very high5 Ų551.8 Ų51.83%0.03128%0.279CS..THydrogen-bonded Turntrans-108.311.4179.551.80000112.7C147 L149 R158 S257C147-T259 PolarHBondContact SG-O 3.16Å; L149-T259 WeakPolarHBondContact O-CB 3.25Å; L149-T259 WeakPolarHBondContact O-CG2 3.23Å; L149-T259 PolarHBondContact O-OG1 3.3Å; R158-T259 HydrophobicContact CG-CG2 3.79Å; S257-T259 VanDerWaalsContact C-N 3.29Å; S257-T259 PolarHBondContact OG-N 3.2Å; S257-T259 PolarHBondContact OG-OG1 2.68Å
260R95.1Very high95.3Very high89 Ų8951.8 Ų51.834%0.33628%0.279SS..  trans-60.4147.7-17972.4-176.4-176.7-93.93113M252 H254 P255 S257 Q262M252-R260 CarbonylContact O-C 3.49Å; M252-R260 WeakPolarHBondContact O-CA 3.15Å; M252-R260 WeakPolarHBondContact O-CB 3.39Å; H254-R260 WeakPolarHBondContact O-CD 3.29Å; P255-R260 PolarHBondContact O-NH1 3.11Å; S257-R260 WeakPolarHBondContact O-CD 3.22Å; S257-R260 WeakPolarHBondContact O-CG 3.3Å; S257-R260 PolarHBondContact O-NH1 3.16Å; S257-R260 PolarHBondContact OG-N 3.36Å; R260-Q262 VanDerWaalsContact NE-OE1 3.12Å; R260-Q262 VanDerWaalsContact NH2-OE1 3.12Å
261F97.2Very high95.3Very high8 Ų849.7 Ų49.74%0.03526%0.264CS..  trans-74.8123.2157.4-178.6-88.8000109.1N194 M252 T253 L263 L269 L323 N325N194-F261 WeakPolarHBondContact O-CE2 3.38Å; M252-F261 HydrophobicContact CG-CB 3.9Å; M252-F261 PolarHBondContact O-N 3.34Å; M252-F261 HydrophobicContact SD-CB 4.41Å; T253-F261 HydrophobicContact CG2-CD1 4.44Å; F261-L263 HydrophobicContact CD1-CB 4.07Å; F261-L263 HydrophobicContact CD1-CD1 4.32Å; F261-L263 HydrophobicContact CE1-CB 4.22Å; F261-L263 HydrophobicContact CE1-CD1 3.74Å; F261-L263 PolarHBondContact O-N 2.67Å; F261-L269 HydrophobicContact CE1-CD2 4.18Å; F261-L269 HydrophobicContact CZ-CD2 3.92Å; F261-L323 HydrophobicContact CD1-CB 4.37Å; F261-L323 HydrophobicContact CD1-CD1 3.83Å; F261-L323 HydrophobicContact CD2-CB 4.02Å; F261-L323 HydrophobicContact CE1-CB 4.04Å; F261-L323 HydrophobicContact CE1-CD1 3.78Å; F261-L323 HydrophobicContact CE2-CB 3.62Å; F261-L323 WeakPolarHBondContact CE2-O 3.49Å; F261-L323 HydrophobicContact CG-CB 4.36Å; F261-L323 HydrophobicContact CG-CD1 4.36Å; F261-L323 HydrophobicContact CZ-CB 3.63Å; F261-L323 HydrophobicContact CZ-CD1 4.24Å; F261-N325 HydrophobicContact CE2-CB 4.42Å; F261-N325 HydrophobicContact CZ-CB 3.89Å
262Q95.7Very high95.4Very high92 Ų9247.5 Ų47.543%0.4326%0.255SS..  trans-78.791.4179.8-173.462.666.700110.4R260R260-Q262 VanDerWaalsContact NE-OE1 3.12Å; R260-Q262 VanDerWaalsContact NH2-OE1 3.12Å
263L96.7Very high95.4Very high26 Ų2647.5 Ų47.514%0.13626%0.255CS..  trans-88.1137.8172.7-164.567.6000110.9T253 F261 D267 L269 W294 Q298 T300T253-L263 HydrophobicContact CG2-CB 3.88Å; T253-L263 HydrophobicContact CG2-CD2 4.15Å; F261-L263 HydrophobicContact CD1-CB 4.07Å; F261-L263 HydrophobicContact CD1-CD1 4.32Å; F261-L263 HydrophobicContact CE1-CB 4.22Å; F261-L263 HydrophobicContact CE1-CD1 3.74Å; F261-L263 PolarHBondContact O-N 2.67Å; L263-D267 HydrophobicContact CD1-CB 4.44Å; L263-L269 HydrophobicContact CD1-CD1 3.93Å; L263-L269 HydrophobicContact CD1-CD2 4.21Å; L263-W294 HydrophobicContact CD2-CH2 4.07Å; L263-W294 HydrophobicContact CD2-CZ3 3.74Å; L263-Q298 HydrophobicContact CD2-CB 4.03Å; L263-Q298 HydrophobicContact CD2-CG 3.98Å; L263-T300 HydrophobicContact CD1-CG2 3.83Å; L263-T300 HydrophobicContact CD2-CG2 4.2Å; L263-T300 HydrophobicContact CG-CG2 4.1Å
264K95.4Very high95.5Very high134 Ų13446.3 Ų46.358%0.58325%0.247SC*.  trans-131.5158.7174.1-61.3179-176.2174.90110.4D267K264-D267 WeakPolarHBondContact CA-OD2 3.3Å; K264-D267 WeakPolarHBondContact CB-OD2 3.1Å; K264-D267 PolarHBondContact N-OD2 3.04Å; K264-D267 WeakPolarHBondContact O-CB 3.48Å; K264-D267 PolarHBondContact O-N 3.22Å
265H92.8Very high95.6Very high135 Ų13542.2 Ų42.263%0.62523%0.228SC*.THydrogen-bonded Turntrans-54.9138.9172-179.8-76.2000111.3D267 N299H265-D267 PolarHBondContact O-N 3.02Å; H265-N299 PolarHBondContact CE1-ND2 2.87Å; H265-N299 PolarHBondContact NE2-ND2 2.99Å
266A93.5Very high95.9Very high62 Ų6238 Ų3851%0.51220%0.2SC..THydrogen-bonded Turntrans63.513.3-178.300000115.8S268 N299A266-S268 PolarHBondContact O-N 2.89Å; A266-N299 WeakPolarHBondContact CA-O 3.22Å; A266-N299 PolarHBondContact N-O 2.93Å
267D96.9Very high96.2Very high8 Ų834.3 Ų34.34%0.04318%0.183CC..  trans-59.6140.3174.2-89.3-29000111.7L263 K264 H265 L269 T300 K301 N325 T327L263-D267 HydrophobicContact CD1-CB 4.44Å; K264-D267 WeakPolarHBondContact CA-OD2 3.3Å; K264-D267 WeakPolarHBondContact CB-OD2 3.1Å; K264-D267 PolarHBondContact N-OD2 3.04Å; K264-D267 WeakPolarHBondContact O-CB 3.48Å; K264-D267 PolarHBondContact O-N 3.22Å; H265-D267 PolarHBondContact O-N 3.02Å; D267-L269 HydrophobicContact CB-CD2 4.33Å; D267-T300 HydrophobicContact CB-CG2 4.42Å; D267-K301 PolarHBondContact O-N 2.86Å; D267-N325 PolarHBondContact OD1-ND2 3.28Å; D267-N325 PolarHBondContact OD2-ND2 2.96Å; D267-N325 VanDerWaalsContact OD2-ND2 3.08Å; D267-T327 VanDerWaalsContact CA-OG1 3.27Å; D267-T327 WeakPolarHBondContact CA-OG1 3.35Å; D267-T327 WeakPolarHBondContact OD1-CB 3.5Å; D267-T327 PolarHBondContact OD1-OG1 3.31Å
268S96.8Very high96.4Very high23 Ų2336.5 Ų36.516%0.16120%0.199CC..EExtended strand (participates in β ladder)trans-93.4130.6169.6-730000109.7A266 K301 L326 T327A266-S268 PolarHBondContact O-N 2.89Å; S268-K301 CarbonylContact C-O 3.56Å; S268-K301 WeakPolarHBondContact CA-O 3.43Å; S268-L326 WeakPolarHBondContact O-CA 3.35Å; S268-L326 WeakPolarHBondContact O-CB 3.32Å; S268-L326 PolarHBondContact O-N 2.94Å; S268-T327 PolarHBondContact N-OG1 3.26Å
269L98.1Very high96.8Very high0 Ų032.6 Ų32.60%018%0.175CC..EExtended strand (participates in β ladder)trans-126.1146.7-171.8-59.9177.4000112.9F261 L263 D267 V271 L295 K301 R303 L323 L324F261-L269 HydrophobicContact CE1-CD2 4.18Å; F261-L269 HydrophobicContact CZ-CD2 3.92Å; L263-L269 HydrophobicContact CD1-CD1 3.93Å; L263-L269 HydrophobicContact CD1-CD2 4.21Å; D267-L269 HydrophobicContact CB-CD2 4.33Å; L269-V271 HydrophobicContact CB-CG2 4.22Å; L269-L295 HydrophobicContact CD1-CD1 4.33Å; L269-L295 HydrophobicContact CD1-CD2 3.66Å; L269-K301 PolarHBondContact N-O 3.01Å; L269-R303 WeakPolarHBondContact O-CB 3.3Å; L269-R303 PolarHBondContact O-N 2.84Å; L269-L323 HydrophobicContact CD1-CD1 4.33Å; L269-L323 HydrophobicContact CD1-CD2 4.43Å; L269-L324 WeakPolarHBondContact CA-O 3.48Å
270A98.4Very high97.1Very high0 Ų035.9 Ų35.90%020%0.195CC..EExtended strand (participates in β ladder)trans-101.5139.5149.900000108.8F166 R304 Y306 L324 L326 L336F166-A270 HydrophobicContact CE1-CB 4.05Å; F166-A270 HydrophobicContact CZ-CB 4.23Å; A270-R304 CarbonylContact C-O 3.59Å; A270-R304 WeakPolarHBondContact CA-O 3.32Å; A270-R304 HydrophobicContact CB-CB 4.3Å; A270-Y306 HydrophobicContact CB-CE2 4.42Å; A270-L324 HydrophobicContact CB-CB 4.25Å; A270-L324 HydrophobicContact CB-CD2 4.42Å; A270-L324 PolarHBondContact N-O 2.89Å; A270-L324 PolarHBondContact O-N 2.88Å; A270-L326 HydrophobicContact CB-CD1 3.97Å; A270-L326 HydrophobicContact CB-CG 4.48Å; A270-L336 HydrophobicContact CB-CD1 3.84Å
271V98.7Very high97.2Very high0 Ų037.9 Ų37.90%021%0.208CC..EExtended strand (participates in β ladder)trans-125.9131.4-173.6-176.80000109L269 I273 V291 L295 V302 R304 L305 Y306 V321 S322 L323L269-V271 HydrophobicContact CB-CG2 4.22Å; V271-I273 HydrophobicContact CG1-CG1 4.15Å; V271-V291 HydrophobicContact CG1-CG1 4.03Å; V271-L295 HydrophobicContact CG1-CD1 4.46Å; V271-L295 HydrophobicContact CG2-CD1 3.64Å; V271-V302 HydrophobicContact CB-CG1 4.35Å; V271-V302 HydrophobicContact CG2-CB 4.49Å; V271-V302 HydrophobicContact CG2-CG1 3.8Å; V271-V302 HydrophobicContact CG2-CG2 3.95Å; V271-R304 PolarHBondContact N-O 3.16Å; V271-L305 HydrophobicContact CB-CD1 3.96Å; V271-L305 HydrophobicContact CG1-CD1 3.9Å; V271-L305 CarbonylContact O-C 3.5Å; V271-L305 WeakPolarHBondContact O-CA 3.31Å; V271-Y306 WeakPolarHBondContact O-CD2 3.36Å; V271-Y306 PolarHBondContact O-N 2.87Å; V271-V321 HydrophobicContact CG1-CG1 4.36Å; V271-S322 WeakPolarHBondContact CA-O 3.44Å; V271-L323 HydrophobicContact CB-CD2 4.37Å; V271-L323 HydrophobicContact CG1-CD2 4.04Å; V271-L323 HydrophobicContact CG2-CD2 3.8Å
272L98.8Very high97.3Very high0 Ų044.3 Ų44.30%024%0.24CC..EExtended strand (participates in β ladder)trans-117.4121.5170165.466.7000109.2A162 L165 F166 N274 Y306 C310 S322 P346A162-L272 HydrophobicContact CB-CD2 4.13Å; L165-L272 HydrophobicContact CD1-CD2 4.15Å; F166-L272 HydrophobicContact CE2-CB 4.2Å; F166-L272 HydrophobicContact CZ-CB 3.76Å; L272-N274 HydrophobicContact CD1-CB 4.46Å; L272-N274 HydrophobicContact CG-CB 4.24Å; L272-Y306 CarbonylContact C-O 3.54Å; L272-Y306 WeakPolarHBondContact CA-O 3.28Å; L272-C310 HydrophobicContact CD1-CB 4.46Å; L272-S322 PolarHBondContact N-O 2.86Å; L272-S322 PolarHBondContact O-N 2.79Å; L272-P346 HydrophobicContact CD1-CG 4.37Å
273I98.8Very high97.5Very high0 Ų042.6 Ų42.60%023%0.232CC..EExtended strand (participates in β ladder)trans-104.6100.7172.2-53.7179.9000106.9V271 M284 V291 L305 Y306 V307 G308 F319 S320V271-I273 HydrophobicContact CG1-CG1 4.15Å; I273-M284 HydrophobicContact CG2-CE 3.76Å; I273-V291 HydrophobicContact CD1-CB 3.78Å; I273-V291 HydrophobicContact CD1-CG1 3.97Å; I273-V291 HydrophobicContact CD1-CG2 3.93Å; I273-V291 HydrophobicContact CG1-CG1 4.41Å; I273-V291 HydrophobicContact CG1-CG2 4.47Å; I273-L305 HydrophobicContact CD1-CD1 3.85Å; I273-L305 HydrophobicContact CG1-CD1 4.03Å; I273-Y306 PolarHBondContact N-O 3.06Å; I273-V307 HydrophobicContact CB-CG1 4.43Å; I273-V307 HydrophobicContact CB-CG2 4.37Å; I273-V307 HydrophobicContact CD1-CG2 4.49Å; I273-V307 WeakPolarHBondContact O-CA 3.44Å; I273-G308 PolarHBondContact O-N 2.99Å; I273-F319 HydrophobicContact CG2-CD2 4.06Å; I273-S320 CarbonylContact C-O 3.56Å; I273-S320 WeakPolarHBondContact CA-O 3.32Å
274N98.8Very high97.5Very high1 Ų141.4 Ų41.41%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-97.8126.1-171.217270.1000111A162 L272 G308 C310 M311 F319 S320A162-N274 HydrophobicContact CB-CB 4.01Å; L272-N274 HydrophobicContact CD1-CB 4.46Å; L272-N274 HydrophobicContact CG-CB 4.24Å; N274-G308 CarbonylContact C-O 3.48Å; N274-G308 WeakPolarHBondContact CA-O 3.18Å; N274-C310 WeakPolarHBondContact OD1-CA 3.45Å; N274-C310 WeakPolarHBondContact OD1-CB 3.35Å; N274-C310 PolarHBondContact OD1-N 3.3Å; N274-M311 PolarHBondContact ND2-O 3.15Å; N274-M311 PolarHBondContact OD1-N 2.65Å; N274-F319 CarbonylContact O-C 3.55Å; N274-F319 WeakPolarHBondContact O-CA 3.34Å; N274-F319 WeakPolarHBondContact O-CB 3.17Å; N274-S320 WeakPolarHBondContact CB-OG 3.17Å; N274-S320 PolarHBondContact N-O 3.3Å; N274-S320 PolarHBondContact ND2-OG 3.4Å; N274-S320 PolarHBondContact O-N 3.3Å
275N98.6Very high97.6Very high6 Ų640.2 Ų40.23%0.03223%0.225CC..EExtended strand (participates in β ladder)trans-79.2130.5172.6-174-19.2000110G277 T279 M284 G308 T309N275-G277 VanDerWaalsContact C-N 3.28Å; N275-G277 PolarHBondContact O-N 3.41Å; N275-G277 PolarHBondContact OD1-N 3.25Å; N275-T279 PolarHBondContact ND2-O 2.74Å; N275-T279 WeakPolarHBondContact OD1-CB 3.32Å; N275-T279 PolarHBondContact OD1-N 3.05Å; N275-M284 HydrophobicContact CB-CE 3.93Å; N275-M284 HydrophobicContact CB-SD 3.88Å; N275-G308 PolarHBondContact N-O 2.76Å; N275-T309 WeakPolarHBondContact CB-OG1 3.15Å
276L98Very high97.9Very high8 Ų837.4 Ų37.44%0.04221%0.214CC..  trans-82.4-2.4-179.8-61.8176.1000113.7S313 M316 G318L276-S313 CarbonylContact O-C 3.57Å; L276-S313 PolarHBondContact O-N 3.48Å; L276-M316 CarbonylContact C-O 3.51Å; L276-M316 HydrophobicContact CB-CB 3.94Å; L276-M316 HydrophobicContact CB-CG 4.13Å; L276-M316 HydrophobicContact CB-SD 4.16Å; L276-M316 HydrophobicContact CD1-CG 4.34Å; L276-M316 HydrophobicContact CD1-SD 3.66Å; L276-M316 HydrophobicContact CG-SD 4.45Å; L276-G318 WeakPolarHBondContact CB-O 3.23Å; L276-G318 PolarHBondContact N-O 3.5Å
277G97.1Very high98.2Very high28 Ų2835.1 Ų35.129%0.28919%0.193SC..BIsolated β-bridgetrans149.1-54171.200000114N275 L314 M316N275-G277 VanDerWaalsContact C-N 3.28Å; N275-G277 PolarHBondContact O-N 3.41Å; N275-G277 PolarHBondContact OD1-N 3.25Å; G277-L314 WeakPolarHBondContact CA-O 3.29Å; G277-M316 PolarHBondContact N-O 2.76Å
278S97.1Very high98.2Very high51 Ų5135.3 Ų35.336%0.35720%0.196SC..SBendtrans-119.813-16974.90000114.8D315 M316 H317S278-D315 PolarHBondContact OG-O 3.05Å; S278-M316 PolarHBondContact N-O 3.26Å; S278-M316 VanDerWaalsContact OG-C 3.28Å; S278-M316 PolarHBondContact OG-O 3.3Å; S278-H317 WeakPolarHBondContact OG-CA 3.12Å; S278-H317 VanDerWaalsContact OG-CB 3.3Å; S278-H317 WeakPolarHBondContact OG-CB 3.44Å; S278-H317 PolarHBondContact OG-N 3.03Å; S278-H317 VanDerWaalsContact OG-N 3.11Å
279T98.4Very high98.1Very high9 Ų937.7 Ų37.76%0.05521%0.206CC..  trans-73.1129.8173.2-55.10000109.5N275 E283 M284 L287 G318N275-T279 PolarHBondContact ND2-O 2.74Å; N275-T279 WeakPolarHBondContact OD1-CB 3.32Å; N275-T279 PolarHBondContact OD1-N 3.05Å; T279-E283 HydrophobicContact CG2-CB 3.58Å; T279-E283 HydrophobicContact CG2-CG 4.47Å; T279-M284 HydrophobicContact CG2-CG 4.02Å; T279-M284 HydrophobicContact CG2-SD 3.65Å; T279-L287 HydrophobicContact CG2-CD1 4.13Å; T279-G318 VanDerWaalsContact OG1-C 3.25Å; T279-G318 PolarHBondContact OG1-N 3.07Å; T279-G318 PolarHBondContact OG1-O 3.29Å
280T98.4Very high98.1Very high73 Ų7338.8 Ų38.845%0.44821%0.211SC..  trans-72.6160.2-174.666.60000112.1M282 E283 M284T280-M282 PolarHBondContact O-N 3.31Å; T280-E283 VanDerWaalsContact CB-OE2 3.31Å; T280-E283 WeakPolarHBondContact CB-OE2 3.5Å; T280-E283 WeakPolarHBondContact CG2-OE2 3.23Å; T280-E283 PolarHBondContact N-OE2 3.08Å; T280-E283 PolarHBondContact O-N 2.94Å; T280-E283 VanDerWaalsContact OG1-CG 3.3Å; T280-E283 WeakPolarHBondContact OG1-CG 3.22Å; T280-E283 PolarHBondContact OG1-N 3.11Å; T280-E283 PolarHBondContact OG1-OE2 3.25Å; T280-M284 WeakPolarHBondContact O-CG 3.31Å; T280-M284 PolarHBondContact O-N 3.29Å
281Q98.3Very high98.1Very high132 Ų13238.8 Ų38.862%0.61721%0.211SC*.Hα-helixtrans-62.5-32.8176.3-66.7-61.3-2300112.8M284 N285Q281-M284 PolarHBondContact O-N 2.86Å; Q281-N285 WeakPolarHBondContact O-CB 3.35Å; Q281-N285 PolarHBondContact O-N 2.88Å; Q281-N285 PolarHBondContact O-ND2 2.85Å
282M98.5Very high97.9Very high142 Ų14240.9 Ų40.970%0.722%0.222SC*.Hα-helixtrans-62.3-48.8174.5-175.8-177.3-63.500110.7T280 N285 I286T280-M282 PolarHBondContact O-N 3.31Å; M282-N285 PolarHBondContact O-N 2.76Å; M282-I286 HydrophobicContact CG-CD1 4.16Å; M282-I286 WeakPolarHBondContact O-CG1 3.06Å; M282-I286 PolarHBondContact O-N 3.05Å; M282-I286 VanDerWaalsContact O-N 3.11Å
283E98.7Very high97.7Very high56 Ų5644.6 Ų44.626%0.26224%0.236SC..Hα-helixtrans-61.4-47.4175.6-69.5166.4111.200111.2T279 T280 N285 I286 L287 H317T279-E283 HydrophobicContact CG2-CB 3.58Å; T279-E283 HydrophobicContact CG2-CG 4.47Å; T280-E283 VanDerWaalsContact CB-OE2 3.31Å; T280-E283 WeakPolarHBondContact CB-OE2 3.5Å; T280-E283 WeakPolarHBondContact CG2-OE2 3.23Å; T280-E283 PolarHBondContact N-OE2 3.08Å; T280-E283 PolarHBondContact O-N 2.94Å; T280-E283 VanDerWaalsContact OG1-CG 3.3Å; T280-E283 WeakPolarHBondContact OG1-CG 3.22Å; T280-E283 PolarHBondContact OG1-N 3.11Å; T280-E283 PolarHBondContact OG1-OE2 3.25Å; E283-N285 VanDerWaalsContact C-N 3.26Å; E283-N285 PolarHBondContact O-N 2.82Å; E283-I286 PolarHBondContact O-N 3.02Å; E283-I286 VanDerWaalsContact O-N 3.08Å; E283-L287 WeakPolarHBondContact O-CB 3.32Å; E283-L287 WeakPolarHBondContact O-CG 3.48Å; E283-L287 PolarHBondContact O-N 2.83Å; E283-H317 IonicContact OE1-CD2 3.27Å; E283-H317 IonicContact OE1-CE1 3.44Å; E283-H317 PolarHBondContact OE1-CE1 2.83Å; E283-H317 IonicContact OE1-NE2 3.43Å; E283-H317 PolarHBondContact OE1-NE2 3.48Å; E283-H317 IonicContact OE2-NE2 3.12Å; E283-H317 PolarHBondContact OE2-NE2 2.82Å
284M98.6Very high97.6Very high2 Ų244.9 Ų44.91%0.0124%0.237CC..Hα-helixtrans-58.5-36.9178.8-68-57.8-64.400112.6I273 N275 T279 T280 Q281 L287 S288 V307 F319I273-M284 HydrophobicContact CG2-CE 3.76Å; N275-M284 HydrophobicContact CB-CE 3.93Å; N275-M284 HydrophobicContact CB-SD 3.88Å; T279-M284 HydrophobicContact CG2-CG 4.02Å; T279-M284 HydrophobicContact CG2-SD 3.65Å; T280-M284 WeakPolarHBondContact O-CG 3.31Å; T280-M284 PolarHBondContact O-N 3.29Å; Q281-M284 PolarHBondContact O-N 2.86Å; M284-L287 HydrophobicContact SD-CD1 4.31Å; M284-S288 VanDerWaalsContact O-CB 3.3Å; M284-S288 WeakPolarHBondContact O-CB 3.33Å; M284-S288 PolarHBondContact O-N 2.87Å; M284-S288 PolarHBondContact O-OG 3.23Å; M284-V307 HydrophobicContact CB-CG1 4.43Å; M284-V307 HydrophobicContact CE-CG1 3.76Å; M284-F319 HydrophobicContact SD-CB 4.4Å
285N97.6Very high97.5Very high108 Ų10844.8 Ų44.858%0.57824%0.237SC*.Hα-helixtrans-66.7-43.2174.6-73.6-24.3000112.2Q281 M282 E283 S288 L289Q281-N285 WeakPolarHBondContact O-CB 3.35Å; Q281-N285 PolarHBondContact O-N 2.88Å; Q281-N285 PolarHBondContact O-ND2 2.85Å; M282-N285 PolarHBondContact O-N 2.76Å; E283-N285 VanDerWaalsContact C-N 3.26Å; E283-N285 PolarHBondContact O-N 2.82Å; N285-S288 PolarHBondContact O-N 3Å; N285-L289 PolarHBondContact O-N 2.71Å
286I98.4Very high97.3Very high76 Ų7646 Ų4639%0.3924%0.242SC..Hα-helixtrans-64.8-46.3176.6-65.4164.8000110.2A241 M282 E283 S288 L289 E290A241-I286 HydrophobicContact CB-CG2 3.57Å; M282-I286 HydrophobicContact CG-CD1 4.16Å; M282-I286 WeakPolarHBondContact O-CG1 3.06Å; M282-I286 PolarHBondContact O-N 3.05Å; M282-I286 VanDerWaalsContact O-N 3.11Å; E283-I286 PolarHBondContact O-N 3.02Å; E283-I286 VanDerWaalsContact O-N 3.08Å; I286-S288 VanDerWaalsContact C-N 3.29Å; I286-S288 PolarHBondContact O-N 2.8Å; I286-L289 WeakPolarHBondContact O-CB 3.45Å; I286-L289 PolarHBondContact O-N 3.26Å; I286-E290 WeakPolarHBondContact O-CG 3.35Å; I286-E290 PolarHBondContact O-N 3.45Å
287L98.6Very high97.2Very high14 Ų1452.3 Ų52.37%0.07327%0.265CS..Hα-helixtrans-61.3-39.6177.5-67.9170000111.4A241 V245 T279 E283 M284 E290 V291 F319A241-L287 HydrophobicContact CB-CD2 4.06Å; V245-L287 HydrophobicContact CG2-CD2 4.22Å; T279-L287 HydrophobicContact CG2-CD1 4.13Å; E283-L287 WeakPolarHBondContact O-CB 3.32Å; E283-L287 WeakPolarHBondContact O-CG 3.48Å; E283-L287 PolarHBondContact O-N 2.83Å; M284-L287 HydrophobicContact SD-CD1 4.31Å; L287-E290 PolarHBondContact O-N 2.77Å; L287-V291 VanDerWaalsContact O-CG2 3.32Å; L287-V291 WeakPolarHBondContact O-CG2 3.44Å; L287-V291 PolarHBondContact O-N 2.7Å; L287-F319 HydrophobicContact CB-CE2 4.42Å; L287-F319 HydrophobicContact CD1-CB 4.22Å; L287-F319 HydrophobicContact CD1-CD1 3.54Å; L287-F319 HydrophobicContact CD1-CD2 4.07Å; L287-F319 HydrophobicContact CD1-CE1 3.83Å; L287-F319 HydrophobicContact CD1-CE2 4.32Å; L287-F319 HydrophobicContact CD1-CG 3.68Å; L287-F319 HydrophobicContact CD1-CZ 4.22Å; L287-F319 HydrophobicContact CD2-CD1 4.14Å; L287-F319 HydrophobicContact CD2-CE1 3.5Å; L287-F319 VanDerWaalsContact CD2-CE1 3.5Å; L287-F319 HydrophobicContact CD2-CE2 4.06Å; L287-F319 HydrophobicContact CD2-CZ 3.47Å; L287-F319 VanDerWaalsContact CD2-CZ 3.47Å; L287-F319 HydrophobicContact CG-CD1 4.44Å; L287-F319 HydrophobicContact CG-CE1 4.26Å; L287-F319 HydrophobicContact CG-CE2 4.5Å; L287-F319 HydrophobicContact CG-CZ 4.31Å
288S97.1Very high97.1Very high13 Ų1354.8 Ų54.89%0.09127%0.27CS..Hα-helixtrans-61.5-45.1174.3-60.40000112.3M284 N285 I286 E290 L292M284-S288 VanDerWaalsContact O-CB 3.3Å; M284-S288 WeakPolarHBondContact O-CB 3.33Å; M284-S288 PolarHBondContact O-N 2.87Å; M284-S288 PolarHBondContact O-OG 3.23Å; N285-S288 PolarHBondContact O-N 3Å; I286-S288 VanDerWaalsContact C-N 3.29Å; I286-S288 PolarHBondContact O-N 2.8Å; S288-E290 VanDerWaalsContact C-N 3.35Å; S288-E290 PolarHBondContact O-N 2.98Å; S288-L292 WeakPolarHBondContact O-CB 3.4Å; S288-L292 VanDerWaalsContact O-CG 3.25Å; S288-L292 WeakPolarHBondContact O-CG 3.48Å; S288-L292 PolarHBondContact O-N 3.08Å
289L95.3Very high96.9Very high72 Ų7256.7 Ų56.738%0.37728%0.276SS..Hα-helixtrans-57.8-47.4174173.164.9000111.4N285 I286 L292 R293N285-L289 PolarHBondContact O-N 2.71Å; I286-L289 WeakPolarHBondContact O-CB 3.45Å; I286-L289 PolarHBondContact O-N 3.26Å; L289-L292 PolarHBondContact O-N 3.32Å; L289-R293 HydrophobicContact CD1-CG 4.24Å; L289-R293 WeakPolarHBondContact O-CB 3.37Å; L289-R293 WeakPolarHBondContact O-CG 3.49Å; L289-R293 PolarHBondContact O-N 2.97Å
290E97.6Very high96.7Very high23 Ų2357.1 Ų57.111%0.10728%0.278CS..Hα-helixtrans-70.9-36.4-175.7-66.3-52.2138.300112.9A241 A242 V245 I286 L287 S288 R293 W294A241-E290 HydrophobicContact CB-CG 4.41Å; A242-E290 HydrophobicContact CB-CG 4.1Å; A242-E290 WeakPolarHBondContact CB-OE2 3.44Å; V245-E290 HydrophobicContact CB-CB 4.22Å; V245-E290 HydrophobicContact CG1-CB 4.49Å; V245-E290 HydrophobicContact CG2-CB 3.95Å; I286-E290 WeakPolarHBondContact O-CG 3.35Å; I286-E290 PolarHBondContact O-N 3.45Å; L287-E290 PolarHBondContact O-N 2.77Å; S288-E290 VanDerWaalsContact C-N 3.35Å; S288-E290 PolarHBondContact O-N 2.98Å; E290-R293 PolarHBondContact O-N 3.2Å; E290-R293 IonicContact OE1-CZ 3.86Å; E290-R293 IonicContact OE1-NH1 2.71Å; E290-R293 PolarHBondContact OE1-NH1 2.78Å; E290-W294 WeakPolarHBondContact O-CB 3.16Å; E290-W294 PolarHBondContact O-N 2.8Å
291V98.1Very high96.5Very high0 Ų059.4 Ų59.40%028%0.282CS..Hα-helixtrans-63-46.3172.31700000111.1V245 V271 I273 L287 W294 L295 V321V245-V291 HydrophobicContact CG1-CB 4.5Å; V245-V291 HydrophobicContact CG1-CG2 3.88Å; V245-V291 HydrophobicContact CG2-CG2 3.95Å; V271-V291 HydrophobicContact CG1-CG1 4.03Å; I273-V291 HydrophobicContact CD1-CB 3.78Å; I273-V291 HydrophobicContact CD1-CG1 3.97Å; I273-V291 HydrophobicContact CD1-CG2 3.93Å; I273-V291 HydrophobicContact CG1-CG1 4.41Å; I273-V291 HydrophobicContact CG1-CG2 4.47Å; L287-V291 VanDerWaalsContact O-CG2 3.32Å; L287-V291 WeakPolarHBondContact O-CG2 3.44Å; L287-V291 PolarHBondContact O-N 2.7Å; V291-W294 PolarHBondContact O-N 2.91Å; V291-L295 HydrophobicContact CG1-CD1 3.97Å; V291-L295 WeakPolarHBondContact O-CB 3.43Å; V291-L295 WeakPolarHBondContact O-CG 3.38Å; V291-L295 PolarHBondContact O-N 3.01Å; V291-V321 HydrophobicContact CG1-CG1 4.15Å; V291-V321 HydrophobicContact CG2-CG1 4.5Å; V291-V321 HydrophobicContact CG2-CG2 3.67Å
292L95.9Very high96.4Very high44 Ų4454.2 Ų54.223%0.2326%0.259CS..Hα-helixtrans-62.1-45.4178-71.1174.3000111.6S288 L289 W294 L295 E296 V302 L305 P351S288-L292 WeakPolarHBondContact O-CB 3.4Å; S288-L292 VanDerWaalsContact O-CG 3.25Å; S288-L292 WeakPolarHBondContact O-CG 3.48Å; S288-L292 PolarHBondContact O-N 3.08Å; L289-L292 PolarHBondContact O-N 3.32Å; L292-W294 VanDerWaalsContact C-N 3.34Å; L292-W294 PolarHBondContact O-N 3.28Å; L292-L295 PolarHBondContact O-N 2.69Å; L292-E296 VanDerWaalsContact O-CB 3.29Å; L292-E296 WeakPolarHBondContact O-CB 3.42Å; L292-E296 PolarHBondContact O-N 2.94Å; L292-V302 HydrophobicContact CD2-CB 4.26Å; L292-V302 HydrophobicContact CD2-CG1 4.18Å; L292-V302 HydrophobicContact CD2-CG2 4.07Å; L292-L305 HydrophobicContact CD1-CD2 4.05Å; L292-L305 HydrophobicContact CD2-CD2 4.29Å; L292-L305 HydrophobicContact CG-CD2 4.37Å; L292-P351 HydrophobicContact CD1-CB 3.87Å; L292-P351 HydrophobicContact CD2-CB 3.87Å; L292-P351 HydrophobicContact CD2-CG 3.75Å
293R94.6Very high96.3Very high79 Ų7951.6 Ų51.630%0.29824%0.242SC..Hα-helixtrans-60.3-42.2175.4-78.5175.9164.7174.7-5.4112.3L289 E290 E296 R297L289-R293 HydrophobicContact CD1-CG 4.24Å; L289-R293 WeakPolarHBondContact O-CB 3.37Å; L289-R293 WeakPolarHBondContact O-CG 3.49Å; L289-R293 PolarHBondContact O-N 2.97Å; E290-R293 PolarHBondContact O-N 3.2Å; E290-R293 IonicContact OE1-CZ 3.86Å; E290-R293 IonicContact OE1-NH1 2.71Å; E290-R293 PolarHBondContact OE1-NH1 2.78Å; R293-E296 PolarHBondContact O-N 2.67Å; R293-R297 WeakPolarHBondContact O-CG 3.27Å; R293-R297 PolarHBondContact O-N 2.88Å
294W96.9Very high96.2Very high5 Ų551.1 Ų51.12%0.01924%0.238CC..Hα-helixtrans-62.7-48.2178.3-168.7101.5000111.2V245 D246 M249 T253 L263 E290 V291 L292 E296 R297 Q298V245-W294 HydrophobicContact CG1-CB 4.07Å; V245-W294 HydrophobicContact CG1-CG 4.46Å; D246-W294 PolarHBondContact OD1-NE1 3.37Å; M249-W294 HydrophobicContact CB-CD2 3.47Å; M249-W294 VanDerWaalsContact CB-CD2 3.47Å; M249-W294 HydrophobicContact CB-CE3 3.7Å; M249-W294 HydrophobicContact CB-CG 4.1Å; M249-W294 HydrophobicContact CB-CH2 3.72Å; M249-W294 HydrophobicContact CB-CZ2 3.49Å; M249-W294 VanDerWaalsContact CB-CZ2 3.49Å; M249-W294 HydrophobicContact CB-CZ3 3.81Å; M249-W294 HydrophobicContact CE-CD2 4.43Å; M249-W294 HydrophobicContact CE-CE3 3.59Å; M249-W294 HydrophobicContact CE-CZ3 3.66Å; M249-W294 HydrophobicContact CG-CD2 3.88Å; M249-W294 HydrophobicContact CG-CE3 3.98Å; M249-W294 HydrophobicContact CG-CG 4.18Å; M249-W294 HydrophobicContact CG-CZ3 4.42Å; T253-W294 HydrophobicContact CG2-CH2 4.26Å; L263-W294 HydrophobicContact CD2-CH2 4.07Å; L263-W294 HydrophobicContact CD2-CZ3 3.74Å; E290-W294 WeakPolarHBondContact O-CB 3.16Å; E290-W294 PolarHBondContact O-N 2.8Å; V291-W294 PolarHBondContact O-N 2.91Å; L292-W294 VanDerWaalsContact C-N 3.34Å; L292-W294 PolarHBondContact O-N 3.28Å; W294-E296 VanDerWaalsContact C-N 3.33Å; W294-E296 PolarHBondContact O-N 3.12Å; W294-R297 VanDerWaalsContact CD1-NH2 3.34Å; W294-R297 WeakPolarHBondContact O-CB 3.44Å; W294-R297 PolarHBondContact O-N 3.42Å; W294-Q298 HydrophobicContact CD2-CG 4.28Å; W294-Q298 HydrophobicContact CE3-CG 3.74Å; W294-Q298 HydrophobicContact CH2-CG 3.6Å; W294-Q298 HydrophobicContact CZ2-CG 4.14Å; W294-Q298 HydrophobicContact CZ3-CG 3.38Å; W294-Q298 WeakPolarHBondContact O-CG 3.32Å; W294-Q298 PolarHBondContact O-N 2.76Å
295L96.5Very high96.2Very high0 Ų051.6 Ų51.60%024%0.24CC..Hα-helixtrans-63.9-36.7178.6-73.7174000112.8M249 L269 V271 V291 L292 Q298 N299 T300 V302 L323M249-L295 HydrophobicContact CE-CD2 3.73Å; M249-L295 HydrophobicContact CE-CG 4.14Å; L269-L295 HydrophobicContact CD1-CD1 4.33Å; L269-L295 HydrophobicContact CD1-CD2 3.66Å; V271-L295 HydrophobicContact CG1-CD1 4.46Å; V271-L295 HydrophobicContact CG2-CD1 3.64Å; V291-L295 HydrophobicContact CG1-CD1 3.97Å; V291-L295 WeakPolarHBondContact O-CB 3.43Å; V291-L295 WeakPolarHBondContact O-CG 3.38Å; V291-L295 PolarHBondContact O-N 3.01Å; L292-L295 PolarHBondContact O-N 2.69Å; L295-Q298 PolarHBondContact O-N 2.99Å; L295-N299 PolarHBondContact O-N 3.44Å; L295-T300 WeakPolarHBondContact CB-OG1 3.3Å; L295-T300 PolarHBondContact O-N 3.35Å; L295-T300 PolarHBondContact O-OG1 3.05Å; L295-V302 HydrophobicContact CB-CG2 4.23Å; L295-V302 HydrophobicContact CD1-CG2 3.63Å; L295-L323 HydrophobicContact CD1-CD2 4.2Å; L295-L323 HydrophobicContact CD2-CD1 4.25Å; L295-L323 HydrophobicContact CD2-CD2 4.37Å
296E93.8Very high96.2Very high32 Ų3246.5 Ų46.515%0.1521%0.213CC..Hα-helixtrans-66.8-38.7175.9-171.7174.7-139.700112L292 R293 W294 Q298 N299 S353 Y354 N355L292-E296 VanDerWaalsContact O-CB 3.29Å; L292-E296 WeakPolarHBondContact O-CB 3.42Å; L292-E296 PolarHBondContact O-N 2.94Å; R293-E296 PolarHBondContact O-N 2.67Å; W294-E296 VanDerWaalsContact C-N 3.33Å; W294-E296 PolarHBondContact O-N 3.12Å; E296-Q298 PolarHBondContact O-N 3.21Å; E296-N299 WeakPolarHBondContact O-CA 3.45Å; E296-N299 PolarHBondContact O-N 2.74Å; E296-S353 WeakPolarHBondContact OE1-CB 3.46Å; E296-S353 PolarHBondContact OE1-OG 2.98Å; E296-Y354 PolarHBondContact OE1-N 3.37Å; E296-Y354 WeakPolarHBondContact OE2-CB 3.35Å; E296-N355 HydrophobicContact CG-CB 4.45Å; E296-N355 WeakPolarHBondContact CG-ND2 3.13Å; E296-N355 WeakPolarHBondContact OE1-CB 3.44Å; E296-N355 PolarHBondContact OE1-N 2.81Å
297R94.9Very high96.2Very high139 Ų13944.5 Ų44.553%0.52520%0.204SC..Hα-helixtrans-61.5-29.1171.8-72.2-171-58.5-93.59.3112.8R293 W294 N299R293-R297 WeakPolarHBondContact O-CG 3.27Å; R293-R297 PolarHBondContact O-N 2.88Å; W294-R297 VanDerWaalsContact CD1-NH2 3.34Å; W294-R297 WeakPolarHBondContact O-CB 3.44Å; W294-R297 PolarHBondContact O-N 3.42Å; R297-N299 PolarHBondContact O-N 3.35Å
298Q95.1Very high96.2Very high81 Ų8144.7 Ų44.738%0.37921%0.21SC..THydrogen-bonded Turntrans-79.33.7173.1-55.3-48.3-46.100113.5L263 W294 L295 E296 T300L263-Q298 HydrophobicContact CD2-CB 4.03Å; L263-Q298 HydrophobicContact CD2-CG 3.98Å; W294-Q298 HydrophobicContact CD2-CG 4.28Å; W294-Q298 HydrophobicContact CE3-CG 3.74Å; W294-Q298 HydrophobicContact CH2-CG 3.6Å; W294-Q298 HydrophobicContact CZ2-CG 4.14Å; W294-Q298 HydrophobicContact CZ3-CG 3.38Å; W294-Q298 WeakPolarHBondContact O-CG 3.32Å; W294-Q298 PolarHBondContact O-N 2.76Å; L295-Q298 PolarHBondContact O-N 2.99Å; E296-Q298 PolarHBondContact O-N 3.21Å; Q298-T300 VanDerWaalsContact C-N 3.31Å; Q298-T300 HydrophobicContact CB-CG2 3.93Å; Q298-T300 PolarHBondContact O-N 3.13Å
299N93.8Very high96.3Very high91 Ų9146.9 Ų46.949%0.48722%0.222SC..THydrogen-bonded Turntrans53.446-174.7-157.410000112.9H265 A266 L295 E296 R297H265-N299 PolarHBondContact CE1-ND2 2.87Å; H265-N299 PolarHBondContact NE2-ND2 2.99Å; A266-N299 WeakPolarHBondContact CA-O 3.22Å; A266-N299 PolarHBondContact N-O 2.93Å; L295-N299 PolarHBondContact O-N 3.44Å; E296-N299 WeakPolarHBondContact O-CA 3.45Å; E296-N299 PolarHBondContact O-N 2.74Å; R297-N299 PolarHBondContact O-N 3.35Å
300T94.8Very high96.4Very high17 Ų1743.5 Ų43.510%0.10421%0.205CC..  trans-106.4158.4177.166.10000110.5L263 D267 L295 Q298L263-T300 HydrophobicContact CD1-CG2 3.83Å; L263-T300 HydrophobicContact CD2-CG2 4.2Å; L263-T300 HydrophobicContact CG-CG2 4.1Å; D267-T300 HydrophobicContact CB-CG2 4.42Å; L295-T300 WeakPolarHBondContact CB-OG1 3.3Å; L295-T300 PolarHBondContact O-N 3.35Å; L295-T300 PolarHBondContact O-OG1 3.05Å; Q298-T300 VanDerWaalsContact C-N 3.31Å; Q298-T300 HydrophobicContact CB-CG2 3.93Å; Q298-T300 PolarHBondContact O-N 3.13Å
301K94.2Very high96.4Very high122 Ų12242.5 Ų42.553%0.5320%0.2SC..EExtended strand (participates in β ladder)trans-110.7107.1-178.9-174.7174.9-176.7170.60110.8D267 S268 L269 R303D267-K301 PolarHBondContact O-N 2.86Å; S268-K301 CarbonylContact C-O 3.56Å; S268-K301 WeakPolarHBondContact CA-O 3.43Å; L269-K301 PolarHBondContact N-O 3.01Å; K301-R303 PolarHBondContact O-N 2.96Å
302V95.7Very high96.4Very high23 Ų2342.8 Ų42.814%0.13920%0.202CC..EExtended strand (participates in β ladder)trans-76.1108.2171.7-177.90000109.4V271 L292 L295 L305 P351V271-V302 HydrophobicContact CB-CG1 4.35Å; V271-V302 HydrophobicContact CG2-CB 4.49Å; V271-V302 HydrophobicContact CG2-CG1 3.8Å; V271-V302 HydrophobicContact CG2-CG2 3.95Å; L292-V302 HydrophobicContact CD2-CB 4.26Å; L292-V302 HydrophobicContact CD2-CG1 4.18Å; L292-V302 HydrophobicContact CD2-CG2 4.07Å; L295-V302 HydrophobicContact CB-CG2 4.23Å; L295-V302 HydrophobicContact CD1-CG2 3.63Å; V302-L305 HydrophobicContact CG1-CB 4.29Å; V302-P351 HydrophobicContact CB-CG 3.88Å; V302-P351 HydrophobicContact CG1-CG 3.6Å
303R95.9Very high96.4Very high87 Ų8740.7 Ų40.733%0.32819%0.191SC..EExtended strand (participates in β ladder)trans-82.9-36.9179.4-61.7-61-61-81.4-4.2112L269 K301 L326 I333L269-R303 WeakPolarHBondContact O-CB 3.3Å; L269-R303 PolarHBondContact O-N 2.84Å; K301-R303 PolarHBondContact O-N 2.96Å; R303-L326 HydrophobicContact CB-CD1 4.19Å; R303-L326 HydrophobicContact CG-CD1 4.42Å; R303-I333 HydrophobicContact CB-CD1 3.97Å
304R97.3Very high96.5Very high46 Ų4639 Ų3917%0.17419%0.188CC..EExtended strand (participates in β ladder)trans-141.2134.8177-64.4-63.7179.2-1077.7109.5A270 V271 Y306 I333 D337 H349 S350A270-R304 CarbonylContact C-O 3.59Å; A270-R304 WeakPolarHBondContact CA-O 3.32Å; A270-R304 HydrophobicContact CB-CB 4.3Å; V271-R304 PolarHBondContact N-O 3.16Å; R304-Y306 HydrophobicContact CB-CE2 3.7Å; R304-I333 HydrophobicContact CG-CD1 4.45Å; R304-I333 HydrophobicContact CG-CG1 4.27Å; R304-D337 IonicContact CZ-OD1 3.8Å; R304-D337 IonicContact CZ-OD2 2.77Å; R304-D337 IonicContact NE-OD1 3.53Å; R304-D337 PolarHBondContact NE-OD1 3.18Å; R304-D337 IonicContact NE-OD2 3.02Å; R304-D337 PolarHBondContact NE-OD2 2.77Å; R304-D337 IonicContact NH2-OD1 2.68Å; R304-D337 IonicContact NH2-OD2 3.5Å; R304-D337 PolarHBondContact NH2-OD2 3.4Å; R304-H349 CarbonylContact C-O 3.42Å; R304-H349 WeakPolarHBondContact CA-O 3.39Å; R304-S350 PolarHBondContact NH1-OG 2.72Å
305L98.2Very high96.4Very high12 Ų1241.3 Ų41.36%0.06320%0.201CC..EExtended strand (participates in β ladder)trans-117132.6171.3175.568.2000108.7V271 I273 L292 V302 V307 H349 P351V271-L305 HydrophobicContact CB-CD1 3.96Å; V271-L305 HydrophobicContact CG1-CD1 3.9Å; V271-L305 CarbonylContact O-C 3.5Å; V271-L305 WeakPolarHBondContact O-CA 3.31Å; I273-L305 HydrophobicContact CD1-CD1 3.85Å; I273-L305 HydrophobicContact CG1-CD1 4.03Å; L292-L305 HydrophobicContact CD1-CD2 4.05Å; L292-L305 HydrophobicContact CD2-CD2 4.29Å; L292-L305 HydrophobicContact CG-CD2 4.37Å; V302-L305 HydrophobicContact CG1-CB 4.29Å; L305-V307 HydrophobicContact CD1-CG2 4.04Å; L305-V307 HydrophobicContact CD2-CG2 3.93Å; L305-V307 HydrophobicContact CG-CG2 3.77Å; L305-H349 HydrophobicContact CB-CB 4.24Å; L305-H349 PolarHBondContact N-O 3.25Å; L305-H349 WeakPolarHBondContact O-CB 3.36Å; L305-H349 PolarHBondContact O-N 2.87Å; L305-P351 HydrophobicContact CB-CG 4.22Å
306Y98.5Very high96.4Very high0 Ų041.4 Ų41.40%020%0.201CC..EExtended strand (participates in β ladder)trans-120.2129.4175.4-61.7-75.3000107.7F166 A270 V271 L272 I273 R304 L336 W345 P346 A348F166-Y306 AromaticContact CE1-CD2 3.94Å; F166-Y306 HydrophobicContact CE1-CD2 3.94Å; F166-Y306 AromaticContact CE1-CE2 3.97Å; F166-Y306 HydrophobicContact CE1-CE2 3.97Å; F166-Y306 HydrophobicContact CZ-CD2 4.43Å; A270-Y306 HydrophobicContact CB-CE2 4.42Å; V271-Y306 WeakPolarHBondContact O-CD2 3.36Å; V271-Y306 PolarHBondContact O-N 2.87Å; L272-Y306 CarbonylContact C-O 3.54Å; L272-Y306 WeakPolarHBondContact CA-O 3.28Å; I273-Y306 PolarHBondContact N-O 3.06Å; R304-Y306 HydrophobicContact CB-CE2 3.7Å; Y306-L336 WeakPolarHBondContact OH-CB 3.38Å; Y306-W345 HydrophobicContact CD1-CZ2 4.05Å; Y306-W345 HydrophobicContact CD2-CH2 4.46Å; Y306-W345 HydrophobicContact CD2-CZ2 4.18Å; Y306-W345 AromaticContact CE1-CE2 3.82Å; Y306-W345 AromaticContact CE1-CZ2 3.73Å; Y306-W345 HydrophobicContact CE1-CZ2 3.73Å; Y306-W345 AromaticContact CE1-NE1 3.6Å; Y306-W345 HydrophobicContact CE2-CH2 4.49Å; Y306-W345 AromaticContact CE2-CZ2 3.9Å; Y306-W345 HydrophobicContact CE2-CZ2 3.9Å; Y306-W345 HydrophobicContact CG-CZ2 4.26Å; Y306-W345 AromaticContact CZ-CZ2 3.67Å; Y306-P346 HydrophobicContact CD1-CG 4.02Å; Y306-P346 HydrophobicContact CG-CG 4.28Å; Y306-A348 HydrophobicContact CD1-CB 4.33Å; Y306-A348 HydrophobicContact CE1-CB 3.48Å; Y306-A348 VanDerWaalsContact CE1-CB 3.48Å
307V98.5Very high96.5Very high34 Ų3442.3 Ų42.321%0.20621%0.205CC..EExtended strand (participates in β ladder)trans-135.4128.3-179.8-171.30000108.8I273 M284 L305I273-V307 HydrophobicContact CB-CG1 4.43Å; I273-V307 HydrophobicContact CB-CG2 4.37Å; I273-V307 HydrophobicContact CD1-CG2 4.49Å; I273-V307 WeakPolarHBondContact O-CA 3.44Å; M284-V307 HydrophobicContact CB-CG1 4.43Å; M284-V307 HydrophobicContact CE-CG1 3.76Å; L305-V307 HydrophobicContact CD1-CG2 4.04Å; L305-V307 HydrophobicContact CD2-CG2 3.93Å; L305-V307 HydrophobicContact CG-CG2 3.77Å
308G97.9Very high96.7Very high19 Ų1935.9 Ų35.920%0.19618%0.182CC..EExtended strand (participates in β ladder)trans157.1-178176.500000113.6I273 N274 N275 C310I273-G308 PolarHBondContact O-N 2.99Å; N274-G308 CarbonylContact C-O 3.48Å; N274-G308 WeakPolarHBondContact CA-O 3.18Å; N275-G308 PolarHBondContact N-O 2.76Å; G308-C310 PolarHBondContact O-N 2.97Å
309T98.2Very high96.8Very high58 Ų5832.4 Ų32.436%0.35617%0.166SC..  trans-83.8106172.2-50.80000108.6P67 N275P67-T309 VanDerWaalsContact CD-O 3.31Å; P67-T309 WeakPolarHBondContact CD-O 3.48Å; P67-T309 WeakPolarHBondContact CG-O 3.37Å; N275-T309 WeakPolarHBondContact CB-OG1 3.15Å
310C98.2Very high97.1Very high1 Ų128.3 Ų28.31%0.00714%0.144CC..SBendtrans-118.2-35.4-175.3-50.80000112P67 A68 F72 L165 L272 N274 G308 P346P67-C310 WeakPolarHBondContact CG-O 3.18Å; A68-C310 WeakPolarHBondContact CB-O 3.37Å; A68-C310 PolarHBondContact N-O 3.13Å; F72-C310 HydrophobicContact CZ-CB 4.49Å; L165-C310 HydrophobicContact CD1-CB 3.46Å; L165-C310 VanDerWaalsContact CD1-CB 3.46Å; L272-C310 HydrophobicContact CD1-CB 4.46Å; N274-C310 WeakPolarHBondContact OD1-CA 3.45Å; N274-C310 WeakPolarHBondContact OD1-CB 3.35Å; N274-C310 PolarHBondContact OD1-N 3.3Å; G308-C310 PolarHBondContact O-N 2.97Å; C310-P346 VanDerWaalsContact SG-CD 3.54Å
311M98.2Very high97.3Very high2 Ų227.5 Ų27.51%0.0114%0.139CC..SBendtrans-142.193.2173.1179.8-178.9-71.100107.5H65 A68 F69 L165 I227 N274H65-M311 HydrophobicContact CB-CG 4.26Å; H65-M311 WeakPolarHBondContact O-CA 3.47Å; A68-M311 HydrophobicContact CB-CB 3.99Å; A68-M311 HydrophobicContact CB-CE 4.21Å; A68-M311 HydrophobicContact CB-CG 4.05Å; F69-M311 HydrophobicContact CE1-CE 3.72Å; F69-M311 HydrophobicContact CZ-CE 3.8Å; L165-M311 HydrophobicContact CD1-CB 4.18Å; L165-M311 HydrophobicContact CD2-CE 4Å; L165-M311 HydrophobicContact CG-CE 4.18Å; I227-M311 HydrophobicContact CD1-SD 4.26Å; I227-M311 HydrophobicContact CG2-CG 4.28Å; I227-M311 HydrophobicContact CG2-SD 4.01Å; N274-M311 PolarHBondContact ND2-O 3.15Å; N274-M311 PolarHBondContact OD1-N 2.65Å
312S97.6Very high97.5Very high6 Ų621.7 Ų21.74%0.04211%0.114CC..  trans-77.6177.2-176.665.90000112.4G64 H65 E66G64-S312 PolarHBondContact O-OG 2.79Å; G64-S312 VanDerWaalsContact O-OG 3.07Å; H65-S312 WeakPolarHBondContact CA-O 3.3Å; H65-S312 WeakPolarHBondContact CA-OG 3.41Å; H65-S312 PolarHBondContact ND1-O 3.22Å; H65-S312 PolarHBondContact O-N 3.44Å; H65-S312 VanDerWaalsContact O-N 3.14Å; E66-S312 PolarHBondContact N-OG 3.5Å; E66-S312 WeakPolarHBondContact O-CB 3.4Å; E66-S312 PolarHBondContact O-OG 3.24Å
313S96.6Very high97.6Very high0 Ų020.6 Ų20.60%011%0.108CC..  trans-128.969.5154.6-167.80000106.9C205 I227 L276 D315 M316C205-S313 WeakPolarHBondContact CB-O 3.36Å; C205-S313 PolarHBondContact SG-OG 3.29Å; I227-S313 VanDerWaalsContact O-CB 3.27Å; I227-S313 WeakPolarHBondContact O-CB 3.38Å; I227-S313 PolarHBondContact O-OG 2.76Å; L276-S313 CarbonylContact O-C 3.57Å; L276-S313 PolarHBondContact O-N 3.48Å; S313-D315 PolarHBondContact O-N 2.75Å; S313-D315 VanDerWaalsContact O-N 3.08Å; S313-M316 VanDerWaalsContact O-CB 3.31Å; S313-M316 WeakPolarHBondContact O-CB 3.49Å; S313-M316 PolarHBondContact O-N 3.42Å; S313-M316 WeakPolarHBondContact OG-CE 3.47Å
314L95.7Very high97.8Very high45 Ų4516.5 Ų16.524%0.2369%0.092CC..THydrogen-bonded Turntrans50.8-109-172.3-60.8168.2000113.5G64 V86 F87 C205 P207 G277G64-L314 VanDerWaalsContact CA-CD2 3.49Å; G64-L314 PolarHBondContact O-N 2.73Å; V86-L314 HydrophobicContact CG1-CD1 4.23Å; F87-L314 HydrophobicContact CE1-CD1 4.41Å; F87-L314 HydrophobicContact CE1-CG 4.35Å; F87-L314 HydrophobicContact CE2-CD1 3.95Å; F87-L314 HydrophobicContact CZ-CD1 3.6Å; F87-L314 HydrophobicContact CZ-CG 3.86Å; C205-L314 HydrophobicContact CB-CB 4.27Å; P207-L314 HydrophobicContact CB-CD1 4.28Å; P207-L314 HydrophobicContact CG-CD1 4.39Å; G277-L314 WeakPolarHBondContact CA-O 3.29Å
315D95Very high97.8Very high53 Ų5315 Ų1528%0.2839%0.088SC..THydrogen-bonded Turntrans-10930.6-178.262.8-37.1000112.6K9 S206 S278 S313 H317K9-D315 IonicContact NZ-OD1 3.75Å; K9-D315 PolarHBondContact NZ-OD1 3.21Å; K9-D315 IonicContact NZ-OD2 3.62Å; K9-D315 PolarHBondContact NZ-OD2 3.4Å; S206-D315 PolarHBondContact N-OD1 3.14Å; S278-D315 PolarHBondContact OG-O 3.05Å; S313-D315 PolarHBondContact O-N 2.75Å; S313-D315 VanDerWaalsContact O-N 3.08Å; D315-H317 PolarHBondContact O-N 3.05Å
316M96.1Very high97.8Very high1 Ų114.7 Ų14.71%0.0059%0.086CC..BIsolated β-bridgetrans-66.5128.6175.1-172.4174.3-75.900111S203 C205 L225 L276 G277 S278 S313 G318S203-M316 WeakPolarHBondContact O-CG 3.27Å; C205-M316 HydrophobicContact CB-CB 4.11Å; C205-M316 HydrophobicContact CB-CE 4.15Å; L225-M316 HydrophobicContact CD1-CE 3.47Å; L225-M316 VanDerWaalsContact CD1-CE 3.47Å; L225-M316 HydrophobicContact CD1-SD 3.27Å; L225-M316 WeakPolarHBondContact CD1-SD 3.4Å; L276-M316 CarbonylContact C-O 3.51Å; L276-M316 HydrophobicContact CB-CB 3.94Å; L276-M316 HydrophobicContact CB-CG 4.13Å; L276-M316 HydrophobicContact CB-SD 4.16Å; L276-M316 HydrophobicContact CD1-CG 4.34Å; L276-M316 HydrophobicContact CD1-SD 3.66Å; L276-M316 HydrophobicContact CG-SD 4.45Å; G277-M316 PolarHBondContact N-O 2.76Å; S278-M316 PolarHBondContact N-O 3.26Å; S278-M316 VanDerWaalsContact OG-C 3.28Å; S278-M316 PolarHBondContact OG-O 3.3Å; S313-M316 VanDerWaalsContact O-CB 3.31Å; S313-M316 WeakPolarHBondContact O-CB 3.49Å; S313-M316 PolarHBondContact O-N 3.42Å; S313-M316 WeakPolarHBondContact OG-CE 3.47Å; M316-G318 PolarHBondContact O-N 3.4Å
317H97Very high97.7Very high51 Ų5118.4 Ų18.424%0.23611%0.109CC..SBendtrans-83.497.9172.2-167.5172.7000108.3S201 L202 S203 S278 E283 D315S201-H317 CarbonylContact C-O 3.5Å; S201-H317 VanDerWaalsContact CA-O 3.31Å; S201-H317 WeakPolarHBondContact CA-O 3.43Å; S201-H317 WeakPolarHBondContact CB-O 3.39Å; L202-H317 HydrophobicContact CB-CB 4.37Å; L202-H317 PolarHBondContact N-O 2.91Å; S203-H317 PolarHBondContact N-O 3.19Å; S203-H317 WeakPolarHBondContact OG-CB 3.4Å; S203-H317 PolarHBondContact OG-N 3.34Å; S278-H317 WeakPolarHBondContact OG-CA 3.12Å; S278-H317 VanDerWaalsContact OG-CB 3.3Å; S278-H317 WeakPolarHBondContact OG-CB 3.44Å; S278-H317 PolarHBondContact OG-N 3.03Å; S278-H317 VanDerWaalsContact OG-N 3.11Å; E283-H317 IonicContact OE1-CD2 3.27Å; E283-H317 IonicContact OE1-CE1 3.44Å; E283-H317 PolarHBondContact OE1-CE1 2.83Å; E283-H317 IonicContact OE1-NE2 3.43Å; E283-H317 PolarHBondContact OE1-NE2 3.48Å; E283-H317 IonicContact OE2-NE2 3.12Å; E283-H317 PolarHBondContact OE2-NE2 2.82Å; D315-H317 PolarHBondContact O-N 3.05Å
318G97.5Very high97.4Very high4 Ų421.3 Ų21.34%0.04113%0.131CC..EExtended strand (participates in β ladder)trans176.9177.7-176.500000112.6V200 L276 T279 M316V200-G318 CarbonylContact O-C 3.47Å; V200-G318 WeakPolarHBondContact O-CA 3.43Å; L276-G318 WeakPolarHBondContact CB-O 3.23Å; L276-G318 PolarHBondContact N-O 3.5Å; T279-G318 VanDerWaalsContact OG1-C 3.25Å; T279-G318 PolarHBondContact OG1-N 3.07Å; T279-G318 PolarHBondContact OG1-O 3.29Å; M316-G318 PolarHBondContact O-N 3.4Å
319F98.6Very high97Very high8 Ų821 Ų214%0.03513%0.125CC..EExtended strand (participates in β ladder)trans-149164.5179.477.8-72.8000110.7G199 V200 T244 V245 M248 I273 N274 M284 L287 V321G199-F319 CarbonylContact C-O 3.51Å; G199-F319 VanDerWaalsContact CA-O 3.32Å; G199-F319 WeakPolarHBondContact CA-O 3.34Å; V200-F319 HydrophobicContact CG1-CD1 3.57Å; V200-F319 HydrophobicContact CG1-CE1 3.26Å; V200-F319 HydrophobicContact CG1-CZ 4.09Å; V200-F319 PolarHBondContact N-O 2.99Å; V200-F319 PolarHBondContact O-N 3.42Å; T244-F319 HydrophobicContact CG2-CE1 4.24Å; V245-F319 HydrophobicContact CG2-CE2 4.43Å; V245-F319 HydrophobicContact CG2-CZ 4.05Å; M248-F319 HydrophobicContact CE-CD2 4.3Å; M248-F319 HydrophobicContact CE-CE1 4.37Å; M248-F319 HydrophobicContact CE-CE2 3.78Å; M248-F319 HydrophobicContact CE-CZ 3.79Å; M248-F319 HydrophobicContact SD-CE1 3.78Å; M248-F319 HydrophobicContact SD-CE2 3.89Å; M248-F319 HydrophobicContact SD-CZ 3.28Å; M248-F319 WeakPolarHBondContact SD-CZ 3.4Å; I273-F319 HydrophobicContact CG2-CD2 4.06Å; N274-F319 CarbonylContact O-C 3.55Å; N274-F319 WeakPolarHBondContact O-CA 3.34Å; N274-F319 WeakPolarHBondContact O-CB 3.17Å; M284-F319 HydrophobicContact SD-CB 4.4Å; L287-F319 HydrophobicContact CB-CE2 4.42Å; L287-F319 HydrophobicContact CD1-CB 4.22Å; L287-F319 HydrophobicContact CD1-CD1 3.54Å; L287-F319 HydrophobicContact CD1-CD2 4.07Å; L287-F319 HydrophobicContact CD1-CE1 3.83Å; L287-F319 HydrophobicContact CD1-CE2 4.32Å; L287-F319 HydrophobicContact CD1-CG 3.68Å; L287-F319 HydrophobicContact CD1-CZ 4.22Å; L287-F319 HydrophobicContact CD2-CD1 4.14Å; L287-F319 HydrophobicContact CD2-CE1 3.5Å; L287-F319 VanDerWaalsContact CD2-CE1 3.5Å; L287-F319 HydrophobicContact CD2-CE2 4.06Å; L287-F319 HydrophobicContact CD2-CZ 3.47Å; L287-F319 VanDerWaalsContact CD2-CZ 3.47Å; L287-F319 HydrophobicContact CG-CD1 4.44Å; L287-F319 HydrophobicContact CG-CE1 4.26Å; L287-F319 HydrophobicContact CG-CE2 4.5Å; L287-F319 HydrophobicContact CG-CZ 4.31Å; F319-V321 HydrophobicContact CD2-CG2 4.12Å; F319-V321 HydrophobicContact CE2-CG2 3.64Å
320S98.7Very high96.5Very high6 Ų619.9 Ų19.94%0.04213%0.125CC..EExtended strand (participates in β ladder)trans-130.4152.5168.860.90000111.9I198 I273 N274I198-S320 CarbonylContact O-C 3.55Å; I198-S320 WeakPolarHBondContact O-CA 3.24Å; I198-S320 VanDerWaalsContact O-CB 3.29Å; I198-S320 WeakPolarHBondContact O-CB 3.38Å; I273-S320 CarbonylContact C-O 3.56Å; I273-S320 WeakPolarHBondContact CA-O 3.32Å; N274-S320 WeakPolarHBondContact CB-OG 3.17Å; N274-S320 PolarHBondContact N-O 3.3Å; N274-S320 PolarHBondContact ND2-OG 3.4Å; N274-S320 PolarHBondContact O-N 3.3Å
321V98.9Very high96.3Very high0 Ų025.3 Ų25.30%015%0.15CC..EExtended strand (participates in β ladder)trans-112.9126172.7-176.70000107.8T197 I198 M248 M249 V271 V291 F319 L323T197-V321 VanDerWaalsContact CA-O 3.3Å; T197-V321 WeakPolarHBondContact CA-O 3.33Å; I198-V321 PolarHBondContact N-O 3.11Å; I198-V321 PolarHBondContact O-N 3.03Å; M248-V321 HydrophobicContact CE-CG2 4.05Å; M249-V321 HydrophobicContact CE-CG1 4.39Å; M249-V321 HydrophobicContact SD-CB 4.15Å; M249-V321 HydrophobicContact SD-CG1 3.74Å; M249-V321 HydrophobicContact SD-CG2 4.49Å; V271-V321 HydrophobicContact CG1-CG1 4.36Å; V291-V321 HydrophobicContact CG1-CG1 4.15Å; V291-V321 HydrophobicContact CG2-CG1 4.5Å; V291-V321 HydrophobicContact CG2-CG2 3.67Å; F319-V321 HydrophobicContact CD2-CG2 4.12Å; F319-V321 HydrophobicContact CE2-CG2 3.64Å; V321-L323 HydrophobicContact CG1-CD2 4.17Å
322S98.9Very high96.3Very high0 Ų025.4 Ų25.40%015%0.15CC..EExtended strand (participates in β ladder)trans-117.3128.5175.9-60.80000109.6A162 A163 G196 T197 V271 L272A162-S322 WeakPolarHBondContact CB-OG 3.36Å; A163-S322 PolarHBondContact N-OG 3.43Å; G196-S322 CarbonylContact O-C 3.59Å; G196-S322 VanDerWaalsContact O-CA 3.26Å; G196-S322 WeakPolarHBondContact O-CA 3.29Å; T197-S322 WeakPolarHBondContact CG2-OG 3.25Å; T197-S322 WeakPolarHBondContact OG1-CB 3.34Å; T197-S322 PolarHBondContact OG1-OG 3.08Å; V271-S322 WeakPolarHBondContact CA-O 3.44Å; L272-S322 PolarHBondContact N-O 2.86Å; L272-S322 PolarHBondContact O-N 2.79Å
323L98.8Very high96.2Very high0 Ų025.8 Ų25.80%015%0.151CC..EExtended strand (participates in β ladder)trans-109.9143174.3-57.3-172.6000110.7C195 G196 M249 M252 F261 L269 V271 L295 V321C195-L323 CarbonylContact C-O 3.48Å; C195-L323 WeakPolarHBondContact CA-O 3.46Å; C195-L323 VanDerWaalsContact CB-O 3.23Å; C195-L323 WeakPolarHBondContact CB-O 3.46Å; G196-L323 PolarHBondContact N-O 3.28Å; G196-L323 PolarHBondContact O-N 3.43Å; M249-L323 HydrophobicContact CE-CD1 3.93Å; M249-L323 HydrophobicContact CE-CD2 4.27Å; M249-L323 HydrophobicContact CE-CG 4.41Å; M252-L323 HydrophobicContact CE-CD1 3.27Å; M252-L323 HydrophobicContact CE-CG 3.57Å; M252-L323 HydrophobicContact SD-CG 4.39Å; F261-L323 HydrophobicContact CD1-CB 4.37Å; F261-L323 HydrophobicContact CD1-CD1 3.83Å; F261-L323 HydrophobicContact CD2-CB 4.02Å; F261-L323 HydrophobicContact CE1-CB 4.04Å; F261-L323 HydrophobicContact CE1-CD1 3.78Å; F261-L323 HydrophobicContact CE2-CB 3.62Å; F261-L323 WeakPolarHBondContact CE2-O 3.49Å; F261-L323 HydrophobicContact CG-CB 4.36Å; F261-L323 HydrophobicContact CG-CD1 4.36Å; F261-L323 HydrophobicContact CZ-CB 3.63Å; F261-L323 HydrophobicContact CZ-CD1 4.24Å; L269-L323 HydrophobicContact CD1-CD1 4.33Å; L269-L323 HydrophobicContact CD1-CD2 4.43Å; V271-L323 HydrophobicContact CB-CD2 4.37Å; V271-L323 HydrophobicContact CG1-CD2 4.04Å; V271-L323 HydrophobicContact CG2-CD2 3.8Å; L295-L323 HydrophobicContact CD1-CD2 4.2Å; L295-L323 HydrophobicContact CD2-CD1 4.25Å; L295-L323 HydrophobicContact CD2-CD2 4.37Å; V321-L323 HydrophobicContact CG1-CD2 4.17Å
324L98.7Very high96.2Very high0 Ų031 Ų310%018%0.179CC..EExtended strand (participates in β ladder)trans-124.2122.2166.9174.166.7000109F166 I170 V191 C195 L269 A270 L326 W332 L336F166-L324 HydrophobicContact CB-CD2 4.15Å; F166-L324 HydrophobicContact CD1-CD2 4.1Å; F166-L324 HydrophobicContact CD2-CB 3.82Å; F166-L324 HydrophobicContact CD2-CD2 4.45Å; F166-L324 HydrophobicContact CE2-CB 3.85Å; F166-L324 HydrophobicContact CG-CB 4.21Å; F166-L324 HydrophobicContact CG-CD2 4Å; F166-L324 HydrophobicContact CZ-CB 4.27Å; I170-L324 HydrophobicContact CD1-CD2 3.77Å; V191-L324 HydrophobicContact CG1-CD1 3.94Å; C195-L324 HydrophobicContact CB-CD1 4.05Å; L269-L324 WeakPolarHBondContact CA-O 3.48Å; A270-L324 HydrophobicContact CB-CB 4.25Å; A270-L324 HydrophobicContact CB-CD2 4.42Å; A270-L324 PolarHBondContact N-O 2.89Å; A270-L324 PolarHBondContact O-N 2.88Å; L324-L326 HydrophobicContact CD2-CD2 3.83Å; L324-L326 HydrophobicContact CG-CD2 4.07Å; L324-W332 HydrophobicContact CD1-CE3 4.01Å; L324-W332 HydrophobicContact CD1-CZ3 3.81Å; L324-W332 HydrophobicContact CD2-CE3 4.26Å; L324-W332 HydrophobicContact CG-CE3 4.4Å; L324-L336 HydrophobicContact CD2-CD1 4.33Å
325N98.4Very high96.4Very high15 Ų1529.3 Ų29.38%0.0817%0.171CC..EExtended strand (participates in β ladder)trans-76.1124.7174-164.3-42.3000110.2N194 F261 D267 T327 T329N194-N325 HydrophobicContact CB-CB 4.38Å; N194-N325 PolarHBondContact O-N 3.43Å; F261-N325 HydrophobicContact CE2-CB 4.42Å; F261-N325 HydrophobicContact CZ-CB 3.89Å; D267-N325 PolarHBondContact OD1-ND2 3.28Å; D267-N325 PolarHBondContact OD2-ND2 2.96Å; D267-N325 VanDerWaalsContact OD2-ND2 3.08Å; N325-T327 WeakPolarHBondContact OD1-CB 3.4Å; N325-T327 PolarHBondContact OD1-N 3.02Å; N325-T327 PolarHBondContact OD1-OG1 2.71Å; N325-T329 PolarHBondContact O-OG1 2.77Å
326L97.9Very high96.5Very high5 Ų526.8 Ų26.83%0.02616%0.158CC..  trans-110.93.8179.2-61.4177.9000112.6S268 A270 R303 L324 T329 G330 W332S268-L326 WeakPolarHBondContact O-CA 3.35Å; S268-L326 WeakPolarHBondContact O-CB 3.32Å; S268-L326 PolarHBondContact O-N 2.94Å; A270-L326 HydrophobicContact CB-CD1 3.97Å; A270-L326 HydrophobicContact CB-CG 4.48Å; R303-L326 HydrophobicContact CB-CD1 4.19Å; R303-L326 HydrophobicContact CG-CD1 4.42Å; L324-L326 HydrophobicContact CD2-CD2 3.83Å; L324-L326 HydrophobicContact CG-CD2 4.07Å; L326-T329 WeakPolarHBondContact CA-OG1 3.46Å; L326-T329 CarbonylContact O-C 3.49Å; L326-T329 PolarHBondContact O-N 2.79Å; L326-G330 WeakPolarHBondContact O-CA 3.39Å; L326-G330 PolarHBondContact O-N 3.29Å; L326-W332 HydrophobicContact CD2-CB 4Å; L326-W332 HydrophobicContact CD2-CE3 4.28Å
327T96.3Very high96.5Very high79 Ų7929.9 Ų29.949%0.48518%0.175SC..SBendtrans-62.5-49.8-173.5-59.60000111.9D267 S268 N325D267-T327 VanDerWaalsContact CA-OG1 3.27Å; D267-T327 WeakPolarHBondContact CA-OG1 3.35Å; D267-T327 WeakPolarHBondContact OD1-CB 3.5Å; D267-T327 PolarHBondContact OD1-OG1 3.31Å; S268-T327 PolarHBondContact N-OG1 3.26Å; N325-T327 WeakPolarHBondContact OD1-CB 3.4Å; N325-T327 PolarHBondContact OD1-N 3.02Å; N325-T327 PolarHBondContact OD1-OG1 2.71Å
328S91.8Very high96.5Very high95 Ų9528.7 Ų28.766%0.66417%0.172SC*.SBendtrans-93.1-717654.40000113.4
329T90.9Very high96.3Very high13 Ų1334.3 Ų34.38%0.0821%0.207CC..  trans-127.931-169.853.40000111.4N325 L326 H331 W332N325-T329 PolarHBondContact O-OG1 2.77Å; L326-T329 WeakPolarHBondContact CA-OG1 3.46Å; L326-T329 CarbonylContact O-C 3.49Å; L326-T329 PolarHBondContact O-N 2.79Å; T329-H331 PolarHBondContact O-N 3.13Å; T329-W332 VanDerWaalsContact CB-CZ3 3.49Å; T329-W332 HydrophobicContact CG2-CD2 4.27Å; T329-W332 HydrophobicContact CG2-CE3 4.05Å; T329-W332 HydrophobicContact CG2-CH2 3.46Å; T329-W332 VanDerWaalsContact CG2-CH2 3.46Å; T329-W332 HydrophobicContact CG2-CZ2 3.7Å; T329-W332 HydrophobicContact CG2-CZ3 3.64Å; T329-W332 WeakPolarHBondContact O-CB 3.2Å; T329-W332 PolarHBondContact O-N 2.68Å; T329-W332 VanDerWaalsContact OG1-CE3 3.25Å; T329-W332 VanDerWaalsContact OG1-CZ3 3.3Å; T329-W332 WeakPolarHBondContact OG1-CZ3 3.17Å
330G86.7Confident96Very high34 Ų3437.9 Ų37.935%0.35122%0.221SC..THydrogen-bonded Turntrans-56.6-21-172.300000115L326 W332 I333L326-G330 WeakPolarHBondContact O-CA 3.39Å; L326-G330 PolarHBondContact O-N 3.29Å; G330-W332 VanDerWaalsContact C-N 3.27Å; G330-W332 PolarHBondContact O-N 3.15Å; G330-I333 WeakPolarHBondContact O-CB 3.35Å; G330-I333 WeakPolarHBondContact O-CG2 3.18Å; G330-I333 PolarHBondContact O-N 2.81Å
331H94Very high95.8Very high114 Ų11440 Ų4053%0.52824%0.236SC..THydrogen-bonded Turntrans-67-22.7174.462.5-87000113.7T329 I333 N334T329-H331 PolarHBondContact O-N 3.13Å; H331-I333 PolarHBondContact O-N 2.96Å; H331-N334 WeakPolarHBondContact O-CB 3.4Å; H331-N334 PolarHBondContact O-N 3.39Å
332W97.8Very high95.5Very high4 Ų440.3 Ų40.32%0.01524%0.237CC..Hα-helixtrans-62-21.5174.4-68.7-18.2000112.9I170 T187 N190 V191 N194 L324 L326 T329 G330 N334 S335 L336I170-W332 HydrophobicContact CD1-CB 3.88Å; I170-W332 HydrophobicContact CD1-CD2 4.07Å; I170-W332 HydrophobicContact CD1-CE3 4.24Å; I170-W332 HydrophobicContact CD1-CG 3.94Å; I170-W332 HydrophobicContact CG1-CB 4.37Å; I170-W332 HydrophobicContact CG2-CG 4.21Å; T187-W332 HydrophobicContact CG2-CZ2 4.49Å; N190-W332 HydrophobicContact CB-CH2 4.07Å; N190-W332 HydrophobicContact CB-CZ2 3.94Å; V191-W332 HydrophobicContact CB-CH2 4.21Å; V191-W332 HydrophobicContact CB-CZ3 4.41Å; V191-W332 HydrophobicContact CG2-CD2 4.04Å; V191-W332 HydrophobicContact CG2-CE3 4.06Å; V191-W332 HydrophobicContact CG2-CH2 3.64Å; V191-W332 HydrophobicContact CG2-CZ2 3.59Å; V191-W332 HydrophobicContact CG2-CZ3 3.88Å; N194-W332 HydrophobicContact CB-CH2 4.5Å; N194-W332 HydrophobicContact CB-CZ3 4.23Å; L324-W332 HydrophobicContact CD1-CE3 4.01Å; L324-W332 HydrophobicContact CD1-CZ3 3.81Å; L324-W332 HydrophobicContact CD2-CE3 4.26Å; L324-W332 HydrophobicContact CG-CE3 4.4Å; L326-W332 HydrophobicContact CD2-CB 4Å; L326-W332 HydrophobicContact CD2-CE3 4.28Å; T329-W332 VanDerWaalsContact CB-CZ3 3.49Å; T329-W332 HydrophobicContact CG2-CD2 4.27Å; T329-W332 HydrophobicContact CG2-CE3 4.05Å; T329-W332 HydrophobicContact CG2-CH2 3.46Å; T329-W332 VanDerWaalsContact CG2-CH2 3.46Å; T329-W332 HydrophobicContact CG2-CZ2 3.7Å; T329-W332 HydrophobicContact CG2-CZ3 3.64Å; T329-W332 WeakPolarHBondContact O-CB 3.2Å; T329-W332 PolarHBondContact O-N 2.68Å; T329-W332 VanDerWaalsContact OG1-CE3 3.25Å; T329-W332 VanDerWaalsContact OG1-CZ3 3.3Å; T329-W332 WeakPolarHBondContact OG1-CZ3 3.17Å; G330-W332 VanDerWaalsContact C-N 3.27Å; G330-W332 PolarHBondContact O-N 3.15Å; W332-N334 PolarHBondContact O-N 3.49Å; W332-S335 WeakPolarHBondContact O-CB 3.36Å; W332-S335 PolarHBondContact O-N 3.37Å; W332-L336 WeakPolarHBondContact O-CG 3.38Å; W332-L336 PolarHBondContact O-N 2.88Å
333I96.9Very high95.2Very high14 Ų1444.4 Ų44.47%0.07226%0.264CS..Hα-helixtrans-57.6-35.4172.7-156.3172.8000111.5R303 R304 G330 H331 S335 L336 D337R303-I333 HydrophobicContact CB-CD1 3.97Å; R304-I333 HydrophobicContact CG-CD1 4.45Å; R304-I333 HydrophobicContact CG-CG1 4.27Å; G330-I333 WeakPolarHBondContact O-CB 3.35Å; G330-I333 WeakPolarHBondContact O-CG2 3.18Å; G330-I333 PolarHBondContact O-N 2.81Å; H331-I333 PolarHBondContact O-N 2.96Å; I333-S335 VanDerWaalsContact C-N 3.32Å; I333-S335 PolarHBondContact O-N 2.95Å; I333-L336 PolarHBondContact O-N 3.01Å; I333-D337 WeakPolarHBondContact O-CB 3.3Å; I333-D337 VanDerWaalsContact O-CG 3.27Å; I333-D337 PolarHBondContact O-N 2.77Å
334N97.1Very high95Very high109 Ų10944.6 Ų44.658%0.58327%0.266SS*.Hα-helixtrans-67.2-37.2177.3-59.1-25.7000110.9H331 W332 S338H331-N334 WeakPolarHBondContact O-CB 3.4Å; H331-N334 PolarHBondContact O-N 3.39Å; W332-N334 PolarHBondContact O-N 3.49Å; N334-S338 WeakPolarHBondContact O-CA 3.41Å; N334-S338 WeakPolarHBondContact O-CB 3.33Å; N334-S338 PolarHBondContact O-N 3.05Å
335S97.9Very high94.9Very high10 Ų1045 Ų457%0.0727%0.267CS..Hα-helixtrans-68.4-38.9174.5-56.10000111.5K169 A173 W332 I333 S338K169-S335 PolarHBondContact NZ-O 2.98Å; A173-S335 WeakPolarHBondContact CB-O 3.47Å; W332-S335 WeakPolarHBondContact O-CB 3.36Å; W332-S335 PolarHBondContact O-N 3.37Å; I333-S335 VanDerWaalsContact C-N 3.32Å; I333-S335 PolarHBondContact O-N 2.95Å; S335-S338 PolarHBondContact O-OG 3.1Å
336L97.8Very high94.8Very high1 Ų145.3 Ų45.31%0.00527%0.27CS..Hα-helixtrans-65.2-42175.5-67.1174.7000112F166 K169 I170 A270 Y306 L324 W332 I333 W345F166-L336 HydrophobicContact CD1-CD2 3.89Å; F166-L336 HydrophobicContact CE1-CD2 4.47Å; K169-L336 HydrophobicContact CB-CD2 4.43Å; K169-L336 WeakPolarHBondContact CE-O 3.07Å; K169-L336 HydrophobicContact CG-CD2 4.05Å; I170-L336 HydrophobicContact CD1-CD2 4.29Å; I170-L336 HydrophobicContact CG1-CD2 3.94Å; I170-L336 HydrophobicContact CG1-CG 4.26Å; A270-L336 HydrophobicContact CB-CD1 3.84Å; Y306-L336 WeakPolarHBondContact OH-CB 3.38Å; L324-L336 HydrophobicContact CD2-CD1 4.33Å; W332-L336 WeakPolarHBondContact O-CG 3.38Å; W332-L336 PolarHBondContact O-N 2.88Å; I333-L336 PolarHBondContact O-N 3.01Å; L336-W345 HydrophobicContact CD2-CH2 4.5Å; L336-W345 HydrophobicContact CD2-CZ2 3.99Å
337D96.7Very high94.6Very high66 Ų6647.9 Ų47.935%0.35329%0.292SS..Hα-helixtrans-83.6-13.3-179.3-66.8-21000113.9R304 I333R304-D337 IonicContact CZ-OD1 3.8Å; R304-D337 IonicContact CZ-OD2 2.77Å; R304-D337 IonicContact NE-OD1 3.53Å; R304-D337 PolarHBondContact NE-OD1 3.18Å; R304-D337 IonicContact NE-OD2 3.02Å; R304-D337 PolarHBondContact NE-OD2 2.77Å; R304-D337 IonicContact NH2-OD1 2.68Å; R304-D337 IonicContact NH2-OD2 3.5Å; R304-D337 PolarHBondContact NH2-OD2 3.4Å; I333-D337 WeakPolarHBondContact O-CB 3.3Å; I333-D337 VanDerWaalsContact O-CG 3.27Å; I333-D337 PolarHBondContact O-N 2.77Å
338S96.3Very high94.5Very high26 Ų2646.3 Ų46.318%0.18229%0.287CS..SBendtrans-56.8142.2-17962.10000111.3K169 A173 N334 S335 Y340K169-S338 PolarHBondContact NZ-O 2.92Å; K169-S338 PolarHBondContact NZ-OG 3.05Å; A173-S338 WeakPolarHBondContact CB-OG 3.36Å; N334-S338 WeakPolarHBondContact O-CA 3.41Å; N334-S338 WeakPolarHBondContact O-CB 3.33Å; N334-S338 PolarHBondContact O-N 3.05Å; S335-S338 PolarHBondContact O-OG 3.1Å; S338-Y340 VanDerWaalsContact O-CD1 3.29Å; S338-Y340 WeakPolarHBondContact O-CD1 3.28Å; S338-Y340 PolarHBondContact O-N 3.08Å
339P93.5Very high94.7Very high121 Ų12146.4 Ų46.479%0.78628%0.277SS*.  trans-51.7137.7177.3-26.534.4000112.2
340Y93.3Very high94.7Very high84 Ų8449.9 Ų49.933%0.32930%0.302SS..  trans-144.6160.4-176.561.4-97.2000111.5V75 S338 L342 W345V75-Y340 VanDerWaalsContact O-CA 3.31Å; V75-Y340 WeakPolarHBondContact O-CA 3.38Å; S338-Y340 VanDerWaalsContact O-CD1 3.29Å; S338-Y340 WeakPolarHBondContact O-CD1 3.28Å; S338-Y340 PolarHBondContact O-N 3.08Å; Y340-L342 HydrophobicContact CD2-CB 3.9Å; Y340-L342 HydrophobicContact CD2-CD1 4.38Å; Y340-L342 HydrophobicContact CD2-CG 4.17Å; Y340-L342 HydrophobicContact CG-CD1 4.41Å; Y340-L342 HydrophobicContact CG-CG 4.49Å; Y340-W345 AromaticContact CE1-CD1 3.79Å; Y340-W345 HydrophobicContact CE2-CB 4.25Å; Y340-W345 AromaticContact CE2-CD1 3.92Å; Y340-W345 AromaticContact CZ-CD1 3.6Å
341C93.2Very high94.8Very high50 Ų5049.9 Ų49.934%0.33830%0.296SS..  trans-12875.7169.6-170.30000109.1T31 V75T31-C341 VanDerWaalsContact CG2-SG 3.59Å; V75-C341 HydrophobicContact CB-CB 4.43Å; V75-C341 PolarHBondContact O-N 2.79Å
342L94.2Very high94.3Very high7 Ų749.4 Ų49.44%0.03729%0.29CS..  trans-134.593.3-171.2-55.4174.4000108.7D71 F72 K169 Y340 G344 W345D71-L342 CarbonylContact O-C 3.55Å; F72-L342 WeakPolarHBondContact O-CD2 3.34Å; K169-L342 HydrophobicContact CD-CD1 3.95Å; Y340-L342 HydrophobicContact CD2-CB 3.9Å; Y340-L342 HydrophobicContact CD2-CD1 4.38Å; Y340-L342 HydrophobicContact CD2-CG 4.17Å; Y340-L342 HydrophobicContact CG-CD1 4.41Å; Y340-L342 HydrophobicContact CG-CG 4.49Å; L342-G344 PolarHBondContact O-N 2.7Å; L342-G344 VanDerWaalsContact O-N 3.11Å; L342-W345 HydrophobicContact CB-CB 3.91Å; L342-W345 HydrophobicContact CD1-CB 4.34Å; L342-W345 PolarHBondContact O-N 2.9Å
343P91.4Very high93.4Very high86 Ų8651.2 Ų51.256%0.55830%0.303SS*.THydrogen-bonded Turntrans-58.8-24.5-178.2-22.532.1000113.7D71D71-P343 HydrophobicContact CB-CB 4.06Å; D71-P343 WeakPolarHBondContact O-CD 3.43Å
344G94.8Very high92.3Very high4 Ų454.7 Ų54.74%0.04132%0.316CS..THydrogen-bonded Turntrans-82.4-11.7178.400000114.7D71 F72 L342D71-G344 VanDerWaalsContact CB-N 3.32Å; D71-G344 PolarHBondContact O-N 3.47Å; F72-G344 WeakPolarHBondContact CZ-O 3.09Å; L342-G344 PolarHBondContact O-N 2.7Å; L342-G344 VanDerWaalsContact O-N 3.11Å
345W96.9Very high91.2Very high8 Ų854.9 Ų54.93%0.0332%0.317CS..SBendtrans-92.8117.6176.7-170.5-110.7000110.1F72 L165 F166 K169 Y306 L336 Y340 L342F72-W345 HydrophobicContact CE1-CB 4.32Å; F72-W345 AromaticContact CE1-CE3 3.77Å; F72-W345 HydrophobicContact CE1-CE3 3.77Å; F72-W345 HydrophobicContact CZ-CE3 4.36Å; L165-W345 HydrophobicContact CB-CE3 4.47Å; L165-W345 HydrophobicContact CB-CZ3 3.84Å; F166-W345 AromaticContact CD1-CH2 3.62Å; F166-W345 HydrophobicContact CD1-CH2 3.62Å; F166-W345 HydrophobicContact CD1-CZ2 4.31Å; F166-W345 AromaticContact CE1-CH2 3.79Å; F166-W345 HydrophobicContact CE1-CH2 3.79Å; F166-W345 HydrophobicContact CE1-CZ2 4.37Å; K169-W345 HydrophobicContact CB-CD2 4.37Å; K169-W345 HydrophobicContact CB-CH2 4.26Å; K169-W345 HydrophobicContact CB-CZ2 4.12Å; K169-W345 HydrophobicContact CB-CZ3 4.47Å; K169-W345 HydrophobicContact CD-CD2 4.28Å; K169-W345 HydrophobicContact CD-CG 4.19Å; K169-W345 HydrophobicContact CG-CD2 4.29Å; K169-W345 HydrophobicContact CG-CZ2 3.95Å; Y306-W345 HydrophobicContact CD1-CZ2 4.05Å; Y306-W345 HydrophobicContact CD2-CH2 4.46Å; Y306-W345 HydrophobicContact CD2-CZ2 4.18Å; Y306-W345 AromaticContact CE1-CE2 3.82Å; Y306-W345 AromaticContact CE1-CZ2 3.73Å; Y306-W345 HydrophobicContact CE1-CZ2 3.73Å; Y306-W345 AromaticContact CE1-NE1 3.6Å; Y306-W345 HydrophobicContact CE2-CH2 4.49Å; Y306-W345 AromaticContact CE2-CZ2 3.9Å; Y306-W345 HydrophobicContact CE2-CZ2 3.9Å; Y306-W345 HydrophobicContact CG-CZ2 4.26Å; Y306-W345 AromaticContact CZ-CZ2 3.67Å; L336-W345 HydrophobicContact CD2-CH2 4.5Å; L336-W345 HydrophobicContact CD2-CZ2 3.99Å; Y340-W345 AromaticContact CE1-CD1 3.79Å; Y340-W345 HydrophobicContact CE2-CB 4.25Å; Y340-W345 AromaticContact CE2-CD1 3.92Å; Y340-W345 AromaticContact CZ-CD1 3.6Å; L342-W345 HydrophobicContact CB-CB 3.91Å; L342-W345 HydrophobicContact CD1-CB 4.34Å; L342-W345 PolarHBondContact O-N 2.9Å
346P95.9Very high90.2Very high21 Ų2159.6 Ų59.614%0.13635%0.346CS..PPolyproline II helixtrans-70.8160.4-175.830.9-37.8000111.8L272 Y306 C310L272-P346 HydrophobicContact CD1-CG 4.37Å; Y306-P346 HydrophobicContact CD1-CG 4.02Å; Y306-P346 HydrophobicContact CG-CG 4.28Å; C310-P346 VanDerWaalsContact SG-CD 3.54Å
347A94.4Very high89.2Confident60 Ų6064.9 Ų64.950%0.49637%0.37SS..PPolyproline II helixtrans-59.5143.8174.500000111.3H349A347-H349 PolarHBondContact O-CD2 3.44Å
348A94.3Very high87.9Confident46 Ų4662.8 Ų62.838%0.3836%0.364SS..PPolyproline II helixtrans-85.6120.3179.100000110.2Y306Y306-A348 HydrophobicContact CD1-CB 4.33Å; Y306-A348 HydrophobicContact CE1-CB 3.48Å; Y306-A348 VanDerWaalsContact CE1-CB 3.48Å
349H94.7Very high86.7Confident97 Ų9763.9 Ų63.945%0.44937%0.371SS..BIsolated β-bridgetrans-100145.4173.6-59.3-84.3000110.6R304 L305 A347 P351R304-H349 CarbonylContact C-O 3.42Å; R304-H349 WeakPolarHBondContact CA-O 3.39Å; L305-H349 HydrophobicContact CB-CB 4.24Å; L305-H349 PolarHBondContact N-O 3.25Å; L305-H349 WeakPolarHBondContact O-CB 3.36Å; L305-H349 PolarHBondContact O-N 2.87Å; A347-H349 PolarHBondContact O-CD2 3.44Å; H349-P351 WeakPolarHBondContact O-CD 3.37Å
350S91.9Very high85.7Confident85 Ų8564 Ų6459%0.59436%0.364SS*.  trans-11093.7169.8-640000108.1R304R304-S350 PolarHBondContact NH1-OG 2.72Å
351P88.9Confident85Confident35 Ų3570.1 Ų70.123%0.22739%0.386CS..PPolyproline II helixtrans-66.1143.4-179.928.7-34000110.2L292 V302 L305 H349L292-P351 HydrophobicContact CD1-CB 3.87Å; L292-P351 HydrophobicContact CD2-CB 3.87Å; L292-P351 HydrophobicContact CD2-CG 3.75Å; V302-P351 HydrophobicContact CB-CG 3.88Å; V302-P351 HydrophobicContact CG1-CG 3.6Å; L305-P351 HydrophobicContact CB-CG 4.22Å; H349-P351 WeakPolarHBondContact O-CD 3.37Å
352Y82.5Confident84.5Confident104 Ų10475.2 Ų75.241%0.40841%0.409SS..PPolyproline II helixtrans-80.6160.416965.9-95.7000110E357 G358 L360Y352-E357 WeakPolarHBondContact CB-OE1 3.39Å; Y352-E357 HydrophobicContact CD2-CB 4.05Å; Y352-G358 WeakPolarHBondContact CE2-O 3.24Å; Y352-L360 HydrophobicContact CD1-CD1 3.9Å; Y352-L360 HydrophobicContact CE1-CD1 3.75Å; Y352-L360 HydrophobicContact CE1-CG 4.23Å; Y352-L360 HydrophobicContact CE2-CG 4.46Å; Y352-L360 HydrophobicContact CG-CD1 4.44Å
353S79.9Confident83.8Confident41 Ų4180.4 Ų80.429%0.28745%0.445SS..PPolyproline II helixtrans-84.3123.6175.3158.30000109.9E296 N355 T356 E357E296-S353 WeakPolarHBondContact OE1-CB 3.46Å; E296-S353 PolarHBondContact OE1-OG 2.98Å; S353-N355 VanDerWaalsContact C-N 3.3Å; S353-N355 PolarHBondContact O-N 3.45Å; S353-T356 WeakPolarHBondContact CB-OG1 3.31Å; S353-T356 PolarHBondContact O-N 3.37Å; S353-T356 PolarHBondContact O-OG1 2.72Å; S353-T356 PolarHBondContact OG-N 2.92Å; S353-T356 PolarHBondContact OG-OG1 3.41Å; S353-T356 VanDerWaalsContact OG-OG1 3.14Å; S353-E357 WeakPolarHBondContact O-CB 3.13Å; S353-E357 PolarHBondContact O-N 2.73Å
354Y73.2Confident83.3Confident87 Ų8782 Ų8234%0.34145%0.453SS..Hα-helixtrans-66.5-34.6179-179.2-83.7000111.3E296 G358 P359E296-Y354 PolarHBondContact OE1-N 3.37Å; E296-Y354 WeakPolarHBondContact OE2-CB 3.35Å; Y354-G358 WeakPolarHBondContact O-CA 3.2Å; Y354-G358 PolarHBondContact O-N 2.84Å; Y354-P359 HydrophobicContact CE2-CB 3.9Å; Y354-P359 HydrophobicContact CE2-CG 4.04Å
355N74.7Confident82.6Confident114 Ų11489.3 Ų89.361%0.6149%0.491SS*.Hα-helixtrans-70.9-34.2177.4-72.8-21000113E296 S353E296-N355 HydrophobicContact CG-CB 4.45Å; E296-N355 WeakPolarHBondContact CG-ND2 3.13Å; E296-N355 WeakPolarHBondContact OE1-CB 3.44Å; E296-N355 PolarHBondContact OE1-N 2.81Å; S353-N355 VanDerWaalsContact C-N 3.3Å; S353-N355 PolarHBondContact O-N 3.45Å
356T76.2Confident81.5Confident109 Ų10997.2 Ų97.267%0.66953%0.526SS*.Hα-helixtrans-87.7-34.9179.6590000113.3S353S353-T356 WeakPolarHBondContact CB-OG1 3.31Å; S353-T356 PolarHBondContact O-N 3.37Å; S353-T356 PolarHBondContact O-OG1 2.72Å; S353-T356 PolarHBondContact OG-N 2.92Å; S353-T356 PolarHBondContact OG-OG1 3.41Å; S353-T356 VanDerWaalsContact OG-OG1 3.14Å
357E77Confident79.9Confident112 Ų112104.4 Ų104.452%0.52356%0.562SS.*Hα-helixtrans-111.3-13.5-172.1-63.9170.9-115.700113.2Y352 S353Y352-E357 WeakPolarHBondContact CB-OE1 3.39Å; Y352-E357 HydrophobicContact CD2-CB 4.05Å; S353-E357 WeakPolarHBondContact O-CB 3.13Å; S353-E357 PolarHBondContact O-N 2.73Å
358G68.2Low78Confident21 Ų21106.3 Ų106.322%0.21657%0.568CS.*  trans69.8177.6-175.100000113Y352 Y354 L360Y352-G358 WeakPolarHBondContact CE2-O 3.24Å; Y354-G358 WeakPolarHBondContact O-CA 3.2Å; Y354-G358 PolarHBondContact O-N 2.84Å; G358-L360 PolarHBondContact O-N 3.23Å
359P71.3Confident76.2Confident50 Ų50114.5 Ų114.533%0.32559%0.59SS.*SBendtrans-63.1121.2164.627-29.1000108Y354 R361Y354-P359 HydrophobicContact CE2-CB 3.9Å; Y354-P359 HydrophobicContact CE2-CG 4.04Å; P359-R361 VanDerWaalsContact C-N 3.31Å; P359-R361 HydrophobicContact CB-CG 4.21Å; P359-R361 HydrophobicContact CG-CG 4.4Å; P359-R361 PolarHBondContact O-N 3.09Å
360L73.2Confident74.2Confident122 Ų122112.4 Ų112.464%0.63960%0.595SS**  trans-62.594.6173.9-71.2170.8000108.9Y352 G358Y352-L360 HydrophobicContact CD1-CD1 3.9Å; Y352-L360 HydrophobicContact CE1-CD1 3.75Å; Y352-L360 HydrophobicContact CE1-CG 4.23Å; Y352-L360 HydrophobicContact CE2-CG 4.46Å; Y352-L360 HydrophobicContact CG-CD1 4.44Å; G358-L360 PolarHBondContact O-N 3.23Å
361R79.3Confident72.4Confident214 Ų214111 Ų11181%0.80858%0.583SS**  trans-114.1120.1176.3-67-178.1-179.6-168.20.2107.8P359 S363P359-R361 VanDerWaalsContact C-N 3.31Å; P359-R361 HydrophobicContact CB-CG 4.21Å; P359-R361 HydrophobicContact CG-CG 4.4Å; P359-R361 PolarHBondContact O-N 3.09Å; R361-S363 PolarHBondContact O-N 3.03Å
362I82.3Confident70.8Confident157 Ų157114 Ų11481%0.80560%0.597SS**  trans-80.3117.9168.9-60175.5000106.6V364I362-V364 HydrophobicContact CG2-CG1 4.42Å
363S79.8Confident69.6Low116 Ų116112.4 Ų112.481%0.81160%0.596SS**  trans-72.8130.1171.5-167.90000108.9R361R361-S363 PolarHBondContact O-N 3.03Å
364V80.4Confident68.5Low118 Ų118114.8 Ų114.872%0.71561%0.61SS**  trans-121.7145.3170.2-65.50000108.5I362 K366I362-V364 HydrophobicContact CG2-CG1 4.42Å; V364-K366 PolarHBondContact O-N 3.23Å
365D80.6Confident67.6Low158 Ų158119.1 Ų119.185%0.84563%0.633SS**  trans-61.3131174.7-69-33.7000109.5L367D365-L367 PolarHBondContact O-N 2.9Å
366K72.1Confident67.2Low174 Ų174119.4 Ų119.476%0.75763%0.631SS**  trans-72.5115.9178.3-168.6179-178.3-175.20108.3V364 T368V364-K366 PolarHBondContact O-N 3.23Å; K366-T368 PolarHBondContact O-N 3.48Å
367L63.5Low67Low173 Ų173116.2 Ų116.291%0.90661%0.61SS**  trans-66124.3168.9-66.3170.8000108.7D365D365-L367 PolarHBondContact O-N 2.9Å
368T55.2Low67.2Low99 Ų99119.2 Ų119.261%0.60762%0.621SS**  trans-104.6135.3174.653.60000109.9K366 D372K366-T368 PolarHBondContact O-N 3.48Å; T368-D372 WeakPolarHBondContact CB-OD2 3.29Å; T368-D372 VanDerWaalsContact CG2-OD2 3.24Å; T368-D372 WeakPolarHBondContact CG2-OD2 3.42Å
369Y56.1Low68.1Low218 Ų218119.5 Ų119.586%0.85562%0.624SS**  trans-140.4135.4167.2-175.2-99.7000108K454Y369-K454 PolarHBondContact O-NZ 3.43Å
370G52.1Low69.2Low54 Ų54118 Ų11856%0.55762%0.616SS**SBendtrans107.5177.3-169.600000113.8D372G370-D372 PolarHBondContact O-N 3.36Å
371V53.7Low70.2Confident56 Ų56117.4 Ų117.434%0.33962%0.617SS.*  trans-8593.9-177.3-1740000109.4N373 E376 I377V371-N373 WeakPolarHBondContact CG1-O 3.38Å; V371-E376 HydrophobicContact CG1-CB 4.08Å; V371-I377 HydrophobicContact CG1-CG1 3.67Å
372D56.2Low71Confident98 Ų98107.7 Ų107.752%0.52458%0.582SS.*  trans-83.7-16.4172.2-70.1-27.8000111.7T368 G370 K454T368-D372 WeakPolarHBondContact CB-OD2 3.29Å; T368-D372 VanDerWaalsContact CG2-OD2 3.24Å; T368-D372 WeakPolarHBondContact CG2-OD2 3.42Å; G370-D372 PolarHBondContact O-N 3.36Å; D372-K454 IonicContact OD1-NZ 3.84Å; D372-K454 PolarHBondContact OD1-NZ 3.45Å
373N57.2Low71.6Confident70 Ų70105 Ų10537%0.37457%0.57SS.*SBendtrans-104.7115177.6-167.92.7000111.1V371 E375 E376V371-N373 WeakPolarHBondContact CG1-O 3.38Å; N373-E375 PolarHBondContact O-N 3.22Å; N373-E375 PolarHBondContact OD1-N 3.42Å; N373-E376 HydrophobicContact CB-CG 4.26Å; N373-E376 PolarHBondContact O-N 3.49Å
374P56.6Low72.3Confident91 Ų91108 Ų10859%0.59157%0.571SS**G310 helixtrans-54.5-27.9178.4-2533.1000114E376 I377P374-E376 PolarHBondContact O-N 2.92Å; P374-I377 HydrophobicContact CB-CD1 4.38Å; P374-I377 WeakPolarHBondContact O-CD1 3.44Å; P374-I377 WeakPolarHBondContact O-CG1 3.34Å; P374-I377 PolarHBondContact O-N 3.2Å
375E54.8Low73Confident177 Ų177106.4 Ų106.483%0.82757%0.565SS**G310 helixtrans-70.6-13.7178.1-62.7-173.4165.800113.8N373N373-E375 PolarHBondContact O-N 3.22Å; N373-E375 PolarHBondContact OD1-N 3.42Å
376E65.1Low73.6Confident120 Ų120101.2 Ų101.256%0.56154%0.537SS*.G310 helixtrans-99.52.9179.1-69-172.716900114V371 N373 P374 K378V371-E376 HydrophobicContact CG1-CB 4.08Å; N373-E376 HydrophobicContact CB-CG 4.26Å; N373-E376 PolarHBondContact O-N 3.49Å; P374-E376 PolarHBondContact O-N 2.92Å; E376-K378 PolarHBondContact O-N 3.36Å
377I72.9Confident74.8Confident43 Ų4395 Ų9522%0.22151%0.513CS..  trans-63.4101179.2-64.8173.8000109.2V371 P374 H441 V444 V447V371-I377 HydrophobicContact CG1-CG1 3.67Å; P374-I377 HydrophobicContact CB-CD1 4.38Å; P374-I377 WeakPolarHBondContact O-CD1 3.44Å; P374-I377 WeakPolarHBondContact O-CG1 3.34Å; P374-I377 PolarHBondContact O-N 3.2Å; I377-H441 WeakPolarHBondContact CD1-CD2 3.37Å; I377-H441 WeakPolarHBondContact CD1-NE2 3.38Å; I377-V444 HydrophobicContact CG2-CB 4.04Å; I377-V444 HydrophobicContact CG2-CG1 4.06Å; I377-V444 HydrophobicContact CG2-CG2 3.7Å; I377-V447 HydrophobicContact CG2-CG2 4.05Å
378K81Confident76.3Confident174 Ų17491.1 Ų91.176%0.75749%0.493SS*.  trans-112.8122.9176.8-70.5177-176173.40109.5E376E376-K378 PolarHBondContact O-N 3.36Å
379G87.5Confident78.2Confident27 Ų2788.3 Ų88.328%0.27848%0.476SS..SBendtrans174.9168.6175.100000111.8V381 V480G379-V381 PolarHBondContact O-N 2.85Å; G379-V480 CarbonylContact C-O 3.58Å; G379-V480 VanDerWaalsContact CA-O 3.32Å; G379-V480 WeakPolarHBondContact CA-O 3.36Å
380A93.1Very high80.2Confident20 Ų2079 Ų7917%0.16544%0.441CS..PPolyproline II helixtrans-63.7131.8170.900000110.1V480 L483A380-V480 PolarHBondContact N-O 2.97Å; A380-L483 HydrophobicContact CB-CD1 4.17Å; A380-L483 HydrophobicContact CB-CD2 4.16Å; A380-L483 HydrophobicContact CB-CG 3.7Å
381V95Very high82.3Confident108 Ų10876.5 Ų76.566%0.65542%0.415SS*.PPolyproline II helixtrans-94.4127.4-174.9-177.10000110G379 S443 V444G379-V381 PolarHBondContact O-N 2.85Å; V381-S443 CarbonylContact C-O 3.59Å; V381-S443 WeakPolarHBondContact CA-O 3.49Å; V381-V444 HydrophobicContact CG2-CG2 4.49Å
382A95.1Very high84.3Confident10 Ų1078.8 Ų78.88%0.08342%0.42CS..PPolyproline II helixtrans-72.1141.5175.100000110.8M386 V387 S443 P445 L483A382-M386 HydrophobicContact CB-CB 4.06Å; A382-M386 HydrophobicContact CB-CG 3.91Å; A382-M386 HydrophobicContact CB-SD 3.72Å; A382-V387 HydrophobicContact CB-CG2 3.8Å; A382-S443 PolarHBondContact N-O 2.98Å; A382-P445 HydrophobicContact CB-CG 4.19Å; A382-L483 HydrophobicContact CB-CD1 3.97Å
383N95.6Very high86.3Confident101 Ų10174.6 Ų74.654%0.5440%0.399SS..PPolyproline II helixtrans-74.6166.3170.167.224.5000110.9S385 M386 V387N383-S385 VanDerWaalsContact C-N 3.26Å; N383-S385 PolarHBondContact O-N 2.94Å; N383-S385 PolarHBondContact OD1-N 2.91Å; N383-M386 PolarHBondContact O-N 3.48Å; N383-M386 VanDerWaalsContact OD1-CB 3.32Å; N383-M386 WeakPolarHBondContact OD1-CB 3.49Å; N383-M386 PolarHBondContact OD1-N 3.27Å; N383-V387 WeakPolarHBondContact O-CG2 3.33Å; N383-V387 PolarHBondContact O-N 3.28Å
384E94.7Very high88.2Confident178 Ų17872 Ų7283%0.83239%0.385SS*.Hα-helixtrans-55.6-39.1-175.8-171.4178-177.300113.3V387 N388E384-V387 PolarHBondContact O-N 2.91Å; E384-N388 PolarHBondContact O-N 2.74Å
385S94.3Very high90.1Very high85 Ų8569.7 Ų69.759%0.59437%0.369SS*.Hα-helixtrans-62.1-46.8176.2172.20000111.9N383 N388 V389N383-S385 VanDerWaalsContact C-N 3.26Å; N383-S385 PolarHBondContact O-N 2.94Å; N383-S385 PolarHBondContact OD1-N 2.91Å; S385-N388 PolarHBondContact O-N 2.96Å; S385-V389 WeakPolarHBondContact O-CG2 3.41Å; S385-V389 PolarHBondContact O-N 3.05Å; S385-V389 VanDerWaalsContact O-N 3.07Å
386M94.8Very high92.2Very high50 Ų5062.8 Ų62.825%0.24634%0.341CS..Hα-helixtrans-66.7-39.8177.7-177.9179.6-66.100111.7A382 N383 N388 V389 I390 L483A382-M386 HydrophobicContact CB-CB 4.06Å; A382-M386 HydrophobicContact CB-CG 3.91Å; A382-M386 HydrophobicContact CB-SD 3.72Å; N383-M386 PolarHBondContact O-N 3.48Å; N383-M386 VanDerWaalsContact OD1-CB 3.32Å; N383-M386 WeakPolarHBondContact OD1-CB 3.49Å; N383-M386 PolarHBondContact OD1-N 3.27Å; M386-N388 VanDerWaalsContact C-N 3.31Å; M386-N388 PolarHBondContact O-N 3.12Å; M386-V389 PolarHBondContact O-N 3.24Å; M386-I390 HydrophobicContact CG-CD1 3.82Å; M386-I390 HydrophobicContact CG-CG1 4.32Å; M386-I390 VanDerWaalsContact O-CG1 3.26Å; M386-I390 WeakPolarHBondContact O-CG1 3.42Å; M386-I390 PolarHBondContact O-N 3.33Å; M386-L483 HydrophobicContact CE-CB 4.13Å; M386-L483 HydrophobicContact SD-CB 4.07Å; M386-L483 HydrophobicContact SD-CD1 3.82Å; M386-L483 HydrophobicContact SD-CG 4.48Å
387V96Very high93.8Very high44 Ų4458 Ų5827%0.26732%0.32SS..Hα-helixtrans-57.8-45.31751710000111A382 N383 E384 I390 G391 V442A382-V387 HydrophobicContact CB-CG2 3.8Å; N383-V387 WeakPolarHBondContact O-CG2 3.33Å; N383-V387 PolarHBondContact O-N 3.28Å; E384-V387 PolarHBondContact O-N 2.91Å; V387-I390 PolarHBondContact O-N 3.34Å; V387-G391 PolarHBondContact O-N 3.44Å; V387-V442 HydrophobicContact CG1-CB 4.49Å; V387-V442 HydrophobicContact CG1-CG1 4.03Å
388N96Very high95Very high90 Ų9056.2 Ų56.248%0.48131%0.311SS..Hα-helixtrans-63.5-44177.7-170.414.4000111.9E384 S385 M386 G391 K392E384-N388 PolarHBondContact O-N 2.74Å; S385-N388 PolarHBondContact O-N 2.96Å; M386-N388 VanDerWaalsContact C-N 3.31Å; M386-N388 PolarHBondContact O-N 3.12Å; N388-G391 PolarHBondContact O-N 2.97Å; N388-K392 WeakPolarHBondContact O-CB 3.25Å; N388-K392 WeakPolarHBondContact O-CG 3.44Å; N388-K392 PolarHBondContact O-N 2.68Å; N388-K392 WeakPolarHBondContact OD1-CE 3.26Å
389V95.4Very high95.8Very high41 Ų4151.2 Ų51.225%0.24830%0.298CS..Hα-helixtrans-60.7-45.4176.1169.20000111.3S385 M386 K392 A393 I592S385-V389 WeakPolarHBondContact O-CG2 3.41Å; S385-V389 PolarHBondContact O-N 3.05Å; S385-V389 VanDerWaalsContact O-N 3.07Å; M386-V389 PolarHBondContact O-N 3.24Å; V389-K392 PolarHBondContact O-N 3.06Å; V389-A393 WeakPolarHBondContact O-CB 3.43Å; V389-A393 PolarHBondContact O-N 3.44Å; V389-I592 HydrophobicContact CG1-CG1 4Å
390I96.3Very high96.3Very high22 Ų2251 Ų5111%0.11329%0.294CS..Hα-helixtrans-63.2-45.2178.9-65.9166.5000110.7M386 V387 K392 A393 L394 V442 P445 L448 W488M386-I390 HydrophobicContact CG-CD1 3.82Å; M386-I390 HydrophobicContact CG-CG1 4.32Å; M386-I390 VanDerWaalsContact O-CG1 3.26Å; M386-I390 WeakPolarHBondContact O-CG1 3.42Å; M386-I390 PolarHBondContact O-N 3.33Å; V387-I390 PolarHBondContact O-N 3.34Å; I390-K392 PolarHBondContact O-N 3.31Å; I390-A393 PolarHBondContact O-N 3.32Å; I390-L394 WeakPolarHBondContact O-CB 3.46Å; I390-L394 PolarHBondContact O-N 2.67Å; I390-V442 HydrophobicContact CB-CG1 3.83Å; I390-V442 HydrophobicContact CG2-CG1 3.64Å; I390-P445 HydrophobicContact CD1-CG 3.83Å; I390-L448 HydrophobicContact CG2-CD2 3.45Å; I390-L448 VanDerWaalsContact CG2-CD2 3.45Å; I390-W488 HydrophobicContact CD1-CZ2 4.25Å
391G96.4Very high96.6Very high1 Ų150.3 Ų50.31%0.0129%0.287CS..Hα-helixtrans-61.3-43.2178.600000113.2V387 N388 L394 T395 Y435V387-G391 PolarHBondContact O-N 3.44Å; N388-G391 PolarHBondContact O-N 2.97Å; G391-L394 PolarHBondContact O-N 3.01Å; G391-T395 WeakPolarHBondContact O-CG2 3.3Å; G391-T395 PolarHBondContact O-N 3.06Å; G391-T395 VanDerWaalsContact O-N 3.08Å; G391-T395 PolarHBondContact O-OG1 3.09Å; G391-Y435 VanDerWaalsContact CA-OH 3.31Å; G391-Y435 WeakPolarHBondContact CA-OH 3.27Å
392K96.9Very high96.7Very high104 Ų10447.7 Ų47.745%0.45227%0.272SS..Hα-helixtrans-63.9-44.9173.7-73.4-178.8178.9-178.60112.5N388 V389 I390 L394 T395 S396 N591N388-K392 WeakPolarHBondContact O-CB 3.25Å; N388-K392 WeakPolarHBondContact O-CG 3.44Å; N388-K392 PolarHBondContact O-N 2.68Å; N388-K392 WeakPolarHBondContact OD1-CE 3.26Å; V389-K392 PolarHBondContact O-N 3.06Å; I390-K392 PolarHBondContact O-N 3.31Å; K392-L394 PolarHBondContact O-N 3.17Å; K392-T395 PolarHBondContact O-N 3.1Å; K392-T395 PolarHBondContact O-OG1 2.75Å; K392-S396 WeakPolarHBondContact O-CB 3.33Å; K392-S396 PolarHBondContact O-N 2.89Å; K392-N591 HydrophobicContact CB-CB 4.22Å; K392-N591 WeakPolarHBondContact CB-OD1 3.49Å
393A96.8Very high96.8Very high11 Ų1152.1 Ų52.19%0.09130%0.302CS..Hα-helixtrans-61.1-44.6176.600000111.7V389 I390 S396 V397 N591V389-A393 WeakPolarHBondContact O-CB 3.43Å; V389-A393 PolarHBondContact O-N 3.44Å; I390-A393 PolarHBondContact O-N 3.32Å; A393-S396 PolarHBondContact O-N 2.87Å; A393-V397 WeakPolarHBondContact O-CB 3.46Å; A393-V397 VanDerWaalsContact O-CG2 3.25Å; A393-V397 WeakPolarHBondContact O-CG2 3.34Å; A393-V397 PolarHBondContact O-N 3.19Å; A393-N591 HydrophobicContact CB-CB 4.21Å
394L97Very high97Very high14 Ų1448.9 Ų48.97%0.07328%0.284CS..Hα-helixtrans-59.2-52.6178-176.1154.9000111.6I390 G391 K392 S396 V397 C398 L431 Y435 L440 L448I390-L394 WeakPolarHBondContact O-CB 3.46Å; I390-L394 PolarHBondContact O-N 2.67Å; G391-L394 PolarHBondContact O-N 3.01Å; K392-L394 PolarHBondContact O-N 3.17Å; L394-S396 VanDerWaalsContact C-N 3.33Å; L394-S396 PolarHBondContact O-N 2.99Å; L394-V397 PolarHBondContact O-N 3.22Å; L394-C398 PolarHBondContact O-N 3.23Å; L394-C398 PolarHBondContact O-SG 3.26Å; L394-L431 HydrophobicContact CD1-CD1 4.2Å; L394-L431 HydrophobicContact CD1-CD2 4.3Å; L394-L431 HydrophobicContact CD1-CG 4.21Å; L394-L431 HydrophobicContact CD2-CD2 4.39Å; L394-L431 HydrophobicContact CD2-CG 4.1Å; L394-L431 HydrophobicContact CG-CD2 4.03Å; L394-L431 HydrophobicContact CG-CG 4.17Å; L394-Y435 HydrophobicContact CD1-CD2 4.39Å; L394-Y435 HydrophobicContact CD2-CD1 4.13Å; L394-Y435 HydrophobicContact CD2-CD2 4.3Å; L394-Y435 HydrophobicContact CD2-CG 3.77Å; L394-L440 HydrophobicContact CD1-CD1 3.81Å; L394-L448 HydrophobicContact CD1-CD1 4.4Å
395T97.5Very high97.1Very high43 Ų4342.7 Ų42.726%0.26426%0.256SS..Hα-helixtrans-64.2-36.8179.748.30000112.7G391 K392 C398 S399 Y435G391-T395 WeakPolarHBondContact O-CG2 3.3Å; G391-T395 PolarHBondContact O-N 3.06Å; G391-T395 VanDerWaalsContact O-N 3.08Å; G391-T395 PolarHBondContact O-OG1 3.09Å; K392-T395 PolarHBondContact O-N 3.1Å; K392-T395 PolarHBondContact O-OG1 2.75Å; T395-C398 PolarHBondContact O-N 3.32Å; T395-S399 WeakPolarHBondContact O-CB 3.36Å; T395-S399 PolarHBondContact O-N 3.46Å; T395-S399 PolarHBondContact O-OG 3.37Å; T395-Y435 HydrophobicContact CG2-CD1 3.52Å; T395-Y435 HydrophobicContact CG2-CE1 3.38Å
396S98.3Very high97.3Very high33 Ų3345.1 Ų45.123%0.23126%0.258CS..Hα-helixtrans-66.2-43.2175.4-173.90000112K392 A393 L394 S399 A400 N591K392-S396 WeakPolarHBondContact O-CB 3.33Å; K392-S396 PolarHBondContact O-N 2.89Å; A393-S396 PolarHBondContact O-N 2.87Å; L394-S396 VanDerWaalsContact C-N 3.33Å; L394-S396 PolarHBondContact O-N 2.99Å; S396-S399 PolarHBondContact O-N 2.9Å; S396-A400 WeakPolarHBondContact O-CB 3.3Å; S396-A400 PolarHBondContact O-N 2.83Å; S396-N591 WeakPolarHBondContact CB-ND2 3.41Å; S396-N591 PolarHBondContact OG-ND2 3.4Å; S396-N591 VanDerWaalsContact OG-ND2 3.11Å
397V98.3Very high97.5Very high20 Ų2045.5 Ų45.512%0.12126%0.263CS..Hα-helixtrans-60.1-47.5174.2166.10000111.3A393 L394 S399 A400 I401 I584 A587 I588A393-V397 WeakPolarHBondContact O-CB 3.46Å; A393-V397 VanDerWaalsContact O-CG2 3.25Å; A393-V397 WeakPolarHBondContact O-CG2 3.34Å; A393-V397 PolarHBondContact O-N 3.19Å; L394-V397 PolarHBondContact O-N 3.22Å; V397-S399 VanDerWaalsContact C-N 3.29Å; V397-S399 PolarHBondContact O-N 2.58Å; V397-A400 PolarHBondContact O-N 2.97Å; V397-I401 HydrophobicContact CG1-CD1 3.91Å; V397-I401 WeakPolarHBondContact O-CG1 3.39Å; V397-I401 PolarHBondContact O-N 2.85Å; V397-I584 HydrophobicContact CG1-CG1 4.09Å; V397-I584 HydrophobicContact CG1-CG2 4.21Å; V397-I584 HydrophobicContact CG2-CG2 4.16Å; V397-A587 HydrophobicContact CB-CB 4.5Å; V397-A587 HydrophobicContact CG2-CB 3.8Å; V397-I588 HydrophobicContact CG2-CD1 4.25Å; V397-I588 HydrophobicContact CG2-CG1 3.63Å
398C98.2Very high97.6Very high4 Ų443.4 Ų43.43%0.02725%0.25CC..Hα-helixtrans-60.2-41.2178.5-67.60000111.9L394 T395 T402 A428 N432L394-C398 PolarHBondContact O-N 3.23Å; L394-C398 PolarHBondContact O-SG 3.26Å; T395-C398 PolarHBondContact O-N 3.32Å; C398-T402 WeakPolarHBondContact O-CB 3.44Å; C398-T402 PolarHBondContact O-N 3.46Å; C398-T402 VanDerWaalsContact O-N 3.07Å; C398-T402 PolarHBondContact O-OG1 2.78Å; C398-A428 HydrophobicContact CB-CB 4.13Å; C398-A428 PolarHBondContact SG-O 3.29Å; C398-A428 VanDerWaalsContact SG-O 3.35Å; C398-N432 HydrophobicContact CB-CB 4.12Å
399S98.4Very high97.6Very high69 Ų6940.5 Ų40.548%0.48323%0.234SC..Hα-helixtrans-65.7-46176.5-58.90000111.4T395 S396 V397 I401 T402 S403T395-S399 WeakPolarHBondContact O-CB 3.36Å; T395-S399 PolarHBondContact O-N 3.46Å; T395-S399 PolarHBondContact O-OG 3.37Å; S396-S399 PolarHBondContact O-N 2.9Å; V397-S399 VanDerWaalsContact C-N 3.29Å; V397-S399 PolarHBondContact O-N 2.58Å; S399-I401 PolarHBondContact O-N 3.29Å; S399-T402 PolarHBondContact O-N 2.98Å; S399-S403 WeakPolarHBondContact O-CB 3.36Å; S399-S403 PolarHBondContact O-N 2.87Å; S399-S403 PolarHBondContact O-OG 2.89Å
400A98.5Very high97.6Very high23 Ų2343 Ų4319%0.1924%0.243CC..Hα-helixtrans-60.7-44.2179.500000112.3S396 V397 N404 A587S396-A400 WeakPolarHBondContact O-CB 3.3Å; S396-A400 PolarHBondContact O-N 2.83Å; V397-A400 PolarHBondContact O-N 2.97Å; A400-N404 WeakPolarHBondContact O-CB 3.28Å; A400-N404 PolarHBondContact O-N 3.44Å; A400-N404 PolarHBondContact O-ND2 2.99Å; A400-A587 HydrophobicContact CB-CB 4.19Å
401I98.3Very high97.6Very high5 Ų542.5 Ų42.53%0.02624%0.241CC..Hα-helixtrans-60.7-50.1174.7-71.1170.4000110.4V397 S399 S403 N404 E405 L424 A428 I584V397-I401 HydrophobicContact CG1-CD1 3.91Å; V397-I401 WeakPolarHBondContact O-CG1 3.39Å; V397-I401 PolarHBondContact O-N 2.85Å; S399-I401 PolarHBondContact O-N 3.29Å; I401-S403 VanDerWaalsContact C-N 3.33Å; I401-S403 PolarHBondContact O-N 2.99Å; I401-N404 CarbonylContact O-C 3.5Å; I401-N404 PolarHBondContact O-N 3.27Å; I401-N404 VanDerWaalsContact O-N 3.12Å; I401-E405 PolarHBondContact O-N 3.38Å; I401-L424 HydrophobicContact CG2-CB 3.63Å; I401-A428 HydrophobicContact CB-CB 4.03Å; I401-A428 HydrophobicContact CD1-CB 4.35Å; I401-A428 HydrophobicContact CG2-CB 3.82Å; I401-I584 HydrophobicContact CD1-CD1 4.13Å; I401-I584 HydrophobicContact CD1-CG1 4.13Å; I401-I584 HydrophobicContact CG1-CG1 4.26Å
402T97.9Very high97.5Very high54 Ų5443.1 Ų43.133%0.33124%0.244SC..Hα-helixtrans-61.9-41.3-176.9-56.20000111.7C398 S399 N404 E405 K425C398-T402 WeakPolarHBondContact O-CB 3.44Å; C398-T402 PolarHBondContact O-N 3.46Å; C398-T402 VanDerWaalsContact O-N 3.07Å; C398-T402 PolarHBondContact O-OG1 2.78Å; S399-T402 PolarHBondContact O-N 2.98Å; T402-N404 VanDerWaalsContact C-N 3.28Å; T402-N404 PolarHBondContact O-N 3.02Å; T402-E405 PolarHBondContact O-N 3.36Å; T402-K425 HydrophobicContact CG2-CD 4.42Å; T402-K425 HydrophobicContact CG2-CG 4.43Å
403S98.2Very high97.3Very high103 Ų10342.1 Ų42.172%0.7225%0.25SC*.Hα-helixtrans-71.5-18.8178.1-62.70000114.1S399 I401S399-S403 WeakPolarHBondContact O-CB 3.36Å; S399-S403 PolarHBondContact O-N 2.87Å; S399-S403 PolarHBondContact O-OG 2.89Å; I401-S403 VanDerWaalsContact C-N 3.33Å; I401-S403 PolarHBondContact O-N 2.99Å
404N98.5Very high96.8Very high32 Ų3243.6 Ų43.617%0.17126%0.26CS..THydrogen-bonded Turntrans-104.310.7179.1-75.4-94000113.3A400 I401 T402 Q406 T407 L408 Y579 I583A400-N404 WeakPolarHBondContact O-CB 3.28Å; A400-N404 PolarHBondContact O-N 3.44Å; A400-N404 PolarHBondContact O-ND2 2.99Å; I401-N404 CarbonylContact O-C 3.5Å; I401-N404 PolarHBondContact O-N 3.27Å; I401-N404 VanDerWaalsContact O-N 3.12Å; T402-N404 VanDerWaalsContact C-N 3.28Å; T402-N404 PolarHBondContact O-N 3.02Å; N404-Q406 PolarHBondContact O-N 3.17Å; N404-T407 PolarHBondContact O-N 2.68Å; N404-L408 HydrophobicContact CB-CD1 4.3Å; N404-L408 HydrophobicContact CB-CG 4.49Å; N404-L408 WeakPolarHBondContact O-CB 3.36Å; N404-L408 WeakPolarHBondContact O-CG 3.38Å; N404-L408 PolarHBondContact O-N 3.03Å; N404-Y579 PolarHBondContact OD1-OH 2.9Å; N404-I583 HydrophobicContact CB-CD1 3.85Å
405E98.3Very high96.3Very high49 Ų4943.1 Ų43.123%0.22926%0.258CS..Hα-helixtrans-50.2-55.5-177.7174.7-178.4-159.600112.4I401 T402 T407 L408 N409 S422 K425I401-E405 PolarHBondContact O-N 3.38Å; T402-E405 PolarHBondContact O-N 3.36Å; E405-T407 PolarHBondContact O-N 2.89Å; E405-L408 PolarHBondContact O-N 2.95Å; E405-N409 PolarHBondContact O-N 2.84Å; E405-S422 PolarHBondContact OE1-OG 3.19Å; E405-K425 HydrophobicContact CB-CD 4.39Å; E405-K425 HydrophobicContact CG-CD 4.21Å; E405-K425 IonicContact OE1-NZ 3.33Å; E405-K425 WeakPolarHBondContact OE2-CD 3.36Å; E405-K425 WeakPolarHBondContact OE2-CE 3.18Å; E405-K425 IonicContact OE2-NZ 3.3Å; E405-K425 PolarHBondContact OE2-NZ 3.42Å
406Q97.8Very high95.8Very high136 Ų13642.5 Ų42.564%0.63626%0.26SS*.Hα-helixtrans-64.6-42.8-176-175.9179.1-14.100111.5N404 L408 N409 E410N404-Q406 PolarHBondContact O-N 3.17Å; Q406-L408 VanDerWaalsContact C-N 3.33Å; Q406-L408 PolarHBondContact O-N 2.85Å; Q406-N409 PolarHBondContact O-N 2.9Å; Q406-E410 HydrophobicContact CG-CG 4.39Å; Q406-E410 WeakPolarHBondContact CG-OE1 3.44Å; Q406-E410 PolarHBondContact NE2-OE1 3.21Å; Q406-E410 WeakPolarHBondContact O-CB 3.49Å; Q406-E410 WeakPolarHBondContact O-CG 3.08Å; Q406-E410 PolarHBondContact O-N 3.39Å
407T97.9Very high95.4Very high57 Ų5744.9 Ų44.935%0.3527%0.27SS..Hα-helixtrans-60.2-43.5177.6-56.20000111.5N404 E405 E410 L411 Y579N404-T407 PolarHBondContact O-N 2.68Å; E405-T407 PolarHBondContact O-N 2.89Å; T407-E410 PolarHBondContact O-N 3.14Å; T407-L411 HydrophobicContact CG2-CD1 4.43Å; T407-L411 VanDerWaalsContact O-CG 3.31Å; T407-L411 WeakPolarHBondContact O-CG 3.31Å; T407-L411 PolarHBondContact O-N 2.55Å; T407-Y579 HydrophobicContact CG2-CE1 4.19Å
408L97.8Very high95.2Very high0 Ų044.6 Ų44.60%027%0.271CS..Hα-helixtrans-63.9-43.9176.8-74.7165.7000111.9N404 E405 Q406 E410 L411 D412 G421 L424 P576 Y579 A580 I583N404-L408 HydrophobicContact CB-CD1 4.3Å; N404-L408 HydrophobicContact CB-CG 4.49Å; N404-L408 WeakPolarHBondContact O-CB 3.36Å; N404-L408 WeakPolarHBondContact O-CG 3.38Å; N404-L408 PolarHBondContact O-N 3.03Å; E405-L408 PolarHBondContact O-N 2.95Å; Q406-L408 VanDerWaalsContact C-N 3.33Å; Q406-L408 PolarHBondContact O-N 2.85Å; L408-E410 VanDerWaalsContact C-N 3.33Å; L408-E410 PolarHBondContact O-N 2.78Å; L408-L411 PolarHBondContact O-N 3.2Å; L408-D412 VanDerWaalsContact O-CB 3.28Å; L408-D412 WeakPolarHBondContact O-CB 3.45Å; L408-D412 PolarHBondContact O-N 3.22Å; L408-G421 VanDerWaalsContact CB-CA 3.41Å; L408-L424 HydrophobicContact CD1-CD1 3.99Å; L408-P576 VanDerWaalsContact CD2-O 3.32Å; L408-P576 WeakPolarHBondContact CD2-O 3.42Å; L408-Y579 HydrophobicContact CD2-CD1 3.82Å; L408-Y579 HydrophobicContact CG-CD1 4.43Å; L408-A580 HydrophobicContact CD2-CB 3.9Å; L408-I583 HydrophobicContact CD1-CD1 4.27Å
409N97.1Very high95Very high29 Ų2947.8 Ų47.816%0.15529%0.288CS..Hα-helixtrans-63.4-37.7176-72.6-5.9000112.2E405 Q406 D412 S413 G418 D419 G421 S422E405-N409 PolarHBondContact O-N 2.84Å; Q406-N409 PolarHBondContact O-N 2.9Å; N409-D412 PolarHBondContact O-N 2.79Å; N409-S413 WeakPolarHBondContact O-CB 3.39Å; N409-S413 PolarHBondContact O-N 3.3Å; N409-S413 PolarHBondContact O-OG 3.48Å; N409-G418 WeakPolarHBondContact CB-O 3.4Å; N409-D419 VanDerWaalsContact OD1-C 3.3Å; N409-G421 WeakPolarHBondContact OD1-CA 3.48Å; N409-G421 PolarHBondContact OD1-N 3.47Å; N409-S422 PolarHBondContact ND2-OG 2.95Å; N409-S422 PolarHBondContact OD1-N 3.39Å
410E96Very high94.8Very high93 Ų9345 Ų4544%0.43527%0.269SS..Hα-helixtrans-69.2-38.8177.3-75.8175-169.800112.7Q406 T407 L408Q406-E410 HydrophobicContact CG-CG 4.39Å; Q406-E410 WeakPolarHBondContact CG-OE1 3.44Å; Q406-E410 PolarHBondContact NE2-OE1 3.21Å; Q406-E410 WeakPolarHBondContact O-CB 3.49Å; Q406-E410 WeakPolarHBondContact O-CG 3.08Å; Q406-E410 PolarHBondContact O-N 3.39Å; T407-E410 PolarHBondContact O-N 3.14Å; L408-E410 VanDerWaalsContact C-N 3.33Å; L408-E410 PolarHBondContact O-N 2.78Å
411L95.2Very high94.7Very high12 Ų1244 Ų446%0.06326%0.26CS..Hα-helixtrans-63.1-46171.7-70174.3000110.2T407 L408 S414 S415 K573 E574 P576 Y579T407-L411 HydrophobicContact CG2-CD1 4.43Å; T407-L411 VanDerWaalsContact O-CG 3.31Å; T407-L411 WeakPolarHBondContact O-CG 3.31Å; T407-L411 PolarHBondContact O-N 2.55Å; L408-L411 PolarHBondContact O-N 3.2Å; L411-S414 PolarHBondContact O-N 3.06Å; L411-S414 PolarHBondContact O-OG 2.93Å; L411-S415 PolarHBondContact O-OG 3.02Å; L411-K573 HydrophobicContact CD2-CB 3.61Å; L411-K573 HydrophobicContact CD2-CD 3.89Å; L411-K573 HydrophobicContact CD2-CG 4.38Å; L411-E574 HydrophobicContact CD1-CB 4.37Å; L411-E574 HydrophobicContact CD2-CB 4.41Å; L411-P576 HydrophobicContact CB-CB 3.95Å; L411-Y579 HydrophobicContact CD1-CD1 4.11Å; L411-Y579 HydrophobicContact CD1-CD2 4.23Å; L411-Y579 HydrophobicContact CD1-CG 3.81Å
412D94.7Very high94.6Very high15 Ų1545.8 Ų45.88%0.0827%0.273CS..Hα-helixtrans-68.7-36.3-178.1-169.743.6000113.2L408 N409 S414 S415 G416 G418 D419 C420 P576L408-D412 VanDerWaalsContact O-CB 3.28Å; L408-D412 WeakPolarHBondContact O-CB 3.45Å; L408-D412 PolarHBondContact O-N 3.22Å; N409-D412 PolarHBondContact O-N 2.79Å; D412-S414 PolarHBondContact O-N 3.46Å; D412-S415 CarbonylContact O-C 3.59Å; D412-S415 PolarHBondContact O-N 2.66Å; D412-G416 CarbonylContact O-C 3.58Å; D412-G416 WeakPolarHBondContact O-CA 2.82Å; D412-G416 PolarHBondContact O-N 2.88Å; D412-G418 VanDerWaalsContact OD2-CA 3.3Å; D412-G418 WeakPolarHBondContact OD2-CA 3.32Å; D412-G418 PolarHBondContact OD2-N 3.43Å; D412-D419 PolarHBondContact OD2-N 2.79Å; D412-C420 HydrophobicContact CB-CB 3.64Å; D412-C420 PolarHBondContact OD2-N 3.42Å; D412-C420 VanDerWaalsContact OD2-N 3.09Å; D412-P576 HydrophobicContact CB-CB 4.02Å; D412-P576 HydrophobicContact CB-CG 3.98Å
413S92.9Very high94.5Very high82 Ų8244.6 Ų44.657%0.57327%0.266SS*.Hα-helixtrans-59-22.8178.3-63.30000113.2N409 G418N409-S413 WeakPolarHBondContact O-CB 3.39Å; N409-S413 PolarHBondContact O-N 3.3Å; N409-S413 PolarHBondContact O-OG 3.48Å; S413-G418 WeakPolarHBondContact OG-CA 3.08Å
414S86.7Confident94.5Very high43 Ų4339.7 Ų39.730%0.30123%0.232SC..THydrogen-bonded Turntrans-86.8-14.9176.471.50000114.4L411 D412L411-S414 PolarHBondContact O-N 3.06Å; L411-S414 PolarHBondContact O-OG 2.93Å; D412-S414 PolarHBondContact O-N 3.46Å
415S86.2Confident94.5Very high4 Ų441.4 Ų41.43%0.02824%0.237CC..THydrogen-bonded Turntrans-136.3-0.3-170.462.50000114.8L411 D412 R562 A563L411-S415 PolarHBondContact O-OG 3.02Å; D412-S415 CarbonylContact O-C 3.59Å; D412-S415 PolarHBondContact O-N 2.66Å; S415-R562 CarbonylContact O-C 3.49Å; S415-R562 VanDerWaalsContact O-C 3.31Å; S415-A563 VanDerWaalsContact O-CA 3.23Å; S415-A563 WeakPolarHBondContact O-CA 3.47Å; S415-A563 PolarHBondContact O-N 3.46Å; S415-A563 VanDerWaalsContact O-N 3.08Å
416G87.5Confident94.4Very high30 Ų3042.6 Ų42.631%0.30925%0.248SC..SBendtrans-163.4-149.2-170.400000111.9D412D412-G416 CarbonylContact O-C 3.58Å; D412-G416 WeakPolarHBondContact O-CA 2.82Å; D412-G416 PolarHBondContact O-N 2.88Å
417D89.5Confident94.3Very high82 Ų8236.1 Ų36.144%0.43922%0.217SC..SBendtrans-94.9-1.7-177.342.3-16.7000114.5R562D417-R562 VanDerWaalsContact CG-CZ 3.46Å; D417-R562 WeakPolarHBondContact OD1-CD 3.42Å; D417-R562 IonicContact OD1-CZ 3.51Å; D417-R562 IonicContact OD1-NE 3.88Å; D417-R562 PolarHBondContact OD1-NE 3.12Å; D417-R562 VanDerWaalsContact OD1-NE 3.15Å; D417-R562 IonicContact OD1-NH2 2.63Å; D417-R562 IonicContact OD2-CZ 3.63Å; D417-R562 IonicContact OD2-NE 3.83Å; D417-R562 PolarHBondContact OD2-NE 3.39Å; D417-R562 IonicContact OD2-NH1 2.83Å; D417-R562 IonicContact OD2-NH2 3.82Å; D417-R562 PolarHBondContact OD2-NH2 3.02Å
418G92.8Very high94.3Very high15 Ų1533.5 Ų33.516%0.15520%0.201CC..SBendtrans82.720.2168.800000114.7N409 D412 S413N409-G418 WeakPolarHBondContact CB-O 3.4Å; D412-G418 VanDerWaalsContact OD2-CA 3.3Å; D412-G418 WeakPolarHBondContact OD2-CA 3.32Å; D412-G418 PolarHBondContact OD2-N 3.43Å; S413-G418 WeakPolarHBondContact OG-CA 3.08Å
419D94.2Very high94.3Very high70 Ų7036.2 Ų36.237%0.37422%0.218SC..  trans-119.21.9-173.377.93.4000114.4N409 D412 G421 S422 T423N409-D419 VanDerWaalsContact OD1-C 3.3Å; D412-D419 PolarHBondContact OD2-N 2.79Å; D419-G421 VanDerWaalsContact C-N 3.32Å; D419-G421 PolarHBondContact O-N 3.29Å; D419-S422 PolarHBondContact O-N 3.42Å; D419-T423 VanDerWaalsContact O-CB 3.3Å; D419-T423 WeakPolarHBondContact O-CB 3.38Å; D419-T423 PolarHBondContact O-N 2.94Å; D419-T423 PolarHBondContact O-OG1 3.43Å
420C94.7Very high94.3Very high12 Ų1235.5 Ų35.58%0.08122%0.217CC..Hα-helixtrans-50.7-47.5-175.8-179.90000113.6D412 L424 P576D412-C420 HydrophobicContact CB-CB 3.64Å; D412-C420 PolarHBondContact OD2-N 3.42Å; D412-C420 VanDerWaalsContact OD2-N 3.09Å; C420-L424 WeakPolarHBondContact O-CB 3.25Å; C420-L424 WeakPolarHBondContact O-CG 3.29Å; C420-L424 PolarHBondContact O-N 3.25Å; C420-P576 HydrophobicContact CB-CB 4.17Å
421G96.7Very high94.3Very high0 Ų031.7 Ų31.70%020%0.199CC..Hα-helixtrans-67.8-45.5179.700000113L408 N409 D419 T423 L424 K425L408-G421 VanDerWaalsContact CB-CA 3.41Å; N409-G421 WeakPolarHBondContact OD1-CA 3.48Å; N409-G421 PolarHBondContact OD1-N 3.47Å; D419-G421 VanDerWaalsContact C-N 3.32Å; D419-G421 PolarHBondContact O-N 3.29Å; G421-T423 VanDerWaalsContact C-N 3.31Å; G421-T423 PolarHBondContact O-N 2.92Å; G421-L424 PolarHBondContact O-N 3.14Å; G421-K425 WeakPolarHBondContact O-CB 3.38Å; G421-K425 PolarHBondContact O-N 2.86Å
422S96.7Very high94.4Very high43 Ų4333.9 Ų33.930%0.30121%0.211SC..Hα-helixtrans-64.1-38.8177.6-67.10000111.5E405 N409 D419 K425 V426E405-S422 PolarHBondContact OE1-OG 3.19Å; N409-S422 PolarHBondContact ND2-OG 2.95Å; N409-S422 PolarHBondContact OD1-N 3.39Å; D419-S422 PolarHBondContact O-N 3.42Å; S422-K425 PolarHBondContact O-N 3.13Å; S422-V426 WeakPolarHBondContact O-CG2 3.35Å; S422-V426 PolarHBondContact O-N 2.93Å
423T95.6Very high94.5Very high29 Ų2938.8 Ų38.818%0.17823%0.233CC..Hα-helixtrans-63.1-47.6174.6-64.80000111.7D419 G421 K425 V426 V460 T464D419-T423 VanDerWaalsContact O-CB 3.3Å; D419-T423 WeakPolarHBondContact O-CB 3.38Å; D419-T423 PolarHBondContact O-N 2.94Å; D419-T423 PolarHBondContact O-OG1 3.43Å; G421-T423 VanDerWaalsContact C-N 3.31Å; G421-T423 PolarHBondContact O-N 2.92Å; T423-K425 VanDerWaalsContact C-N 3.34Å; T423-K425 PolarHBondContact O-N 3.47Å; T423-V426 PolarHBondContact O-N 3.32Å; T423-V460 HydrophobicContact CG2-CG1 3.3Å; T423-T464 HydrophobicContact CG2-CG2 4.01Å
424L97.6Very high94.6Very high1 Ų139 Ų391%0.00523%0.225CC..Hα-helixtrans-65.2-36.5177.2-76.5169.9000112.7I401 L408 C420 G421 V426 G427 A428 F456 T464 Y468 A580I401-L424 HydrophobicContact CG2-CB 3.63Å; L408-L424 HydrophobicContact CD1-CD1 3.99Å; C420-L424 WeakPolarHBondContact O-CB 3.25Å; C420-L424 WeakPolarHBondContact O-CG 3.29Å; C420-L424 PolarHBondContact O-N 3.25Å; G421-L424 PolarHBondContact O-N 3.14Å; L424-V426 VanDerWaalsContact C-N 3.33Å; L424-V426 PolarHBondContact O-N 2.62Å; L424-G427 PolarHBondContact O-N 3.44Å; L424-G427 VanDerWaalsContact O-N 3.14Å; L424-A428 PolarHBondContact O-N 3.28Å; L424-F456 HydrophobicContact CD2-CE1 4.49Å; L424-T464 HydrophobicContact CD2-CG2 3.55Å; L424-T464 HydrophobicContact CG-CG2 4Å; L424-Y468 HydrophobicContact CD2-CD2 4.3Å; L424-Y468 HydrophobicContact CD2-CE2 3.59Å; L424-A580 HydrophobicContact CD1-CB 3.58Å
425K97.8Very high95Very high68 Ų6840.5 Ų40.530%0.29623%0.225SC..Hα-helixtrans-61-39.8176.1179.7179.2174.2-1740112.1T402 E405 G421 S422 T423 G427 A428 T429T402-K425 HydrophobicContact CG2-CD 4.42Å; T402-K425 HydrophobicContact CG2-CG 4.43Å; E405-K425 HydrophobicContact CB-CD 4.39Å; E405-K425 HydrophobicContact CG-CD 4.21Å; E405-K425 IonicContact OE1-NZ 3.33Å; E405-K425 WeakPolarHBondContact OE2-CD 3.36Å; E405-K425 WeakPolarHBondContact OE2-CE 3.18Å; E405-K425 IonicContact OE2-NZ 3.3Å; E405-K425 PolarHBondContact OE2-NZ 3.42Å; G421-K425 WeakPolarHBondContact O-CB 3.38Å; G421-K425 PolarHBondContact O-N 2.86Å; S422-K425 PolarHBondContact O-N 3.13Å; T423-K425 VanDerWaalsContact C-N 3.34Å; T423-K425 PolarHBondContact O-N 3.47Å; K425-G427 VanDerWaalsContact C-N 3.26Å; K425-G427 PolarHBondContact O-N 2.8Å; K425-A428 PolarHBondContact O-N 3.19Å; K425-T429 WeakPolarHBondContact O-CB 3.38Å; K425-T429 PolarHBondContact O-N 2.76Å; K425-T429 PolarHBondContact O-OG1 3.1Å; K425-T429 VanDerWaalsContact O-OG1 3.07Å
426V97.2Very high95.4Very high73 Ų7344.4 Ų44.444%0.44225%0.252SS..Hα-helixtrans-55.1-45.3173.7171.90000110.9S422 T423 L424 A430 K459S422-V426 WeakPolarHBondContact O-CG2 3.35Å; S422-V426 PolarHBondContact O-N 2.93Å; T423-V426 PolarHBondContact O-N 3.32Å; L424-V426 VanDerWaalsContact C-N 3.33Å; L424-V426 PolarHBondContact O-N 2.62Å; V426-A430 WeakPolarHBondContact O-CB 3.23Å; V426-A430 PolarHBondContact O-N 3.07Å; V426-A430 VanDerWaalsContact O-N 3.07Å; V426-K459 VanDerWaalsContact CG1-O 3.26Å; V426-K459 WeakPolarHBondContact CG1-O 3.36Å
427G96.3Very high95.7Very high0 Ų047 Ų470%027%0.265CS..Hα-helixtrans-64.4-46.6176.300000112.7L424 K425 A430 L431L424-G427 PolarHBondContact O-N 3.44Å; L424-G427 VanDerWaalsContact O-N 3.14Å; K425-G427 VanDerWaalsContact C-N 3.26Å; K425-G427 PolarHBondContact O-N 2.8Å; G427-A430 PolarHBondContact O-N 3.48Å; G427-L431 VanDerWaalsContact O-CB 3.25Å; G427-L431 WeakPolarHBondContact O-CB 3.44Å; G427-L431 PolarHBondContact O-N 3.05Å
428A97.7Very high95.8Very high2 Ų246.1 Ų46.12%0.01728%0.276CS..Hα-helixtrans-61.5-43.7178.400000112.8C398 I401 L424 K425 L431 N432C398-A428 HydrophobicContact CB-CB 4.13Å; C398-A428 PolarHBondContact SG-O 3.29Å; C398-A428 VanDerWaalsContact SG-O 3.35Å; I401-A428 HydrophobicContact CB-CB 4.03Å; I401-A428 HydrophobicContact CD1-CB 4.35Å; I401-A428 HydrophobicContact CG2-CB 3.82Å; L424-A428 PolarHBondContact O-N 3.28Å; K425-A428 PolarHBondContact O-N 3.19Å; A428-L431 PolarHBondContact O-N 3.41Å; A428-N432 VanDerWaalsContact O-CB 3.27Å; A428-N432 WeakPolarHBondContact O-CB 3.47Å; A428-N432 PolarHBondContact O-N 3.48Å
429T97.9Very high95.7Very high57 Ų5746.9 Ų46.935%0.3528%0.284SS..Hα-helixtrans-62.7-51.7176.5-61.30000110.7K425 L431 N432 E433K425-T429 WeakPolarHBondContact O-CB 3.38Å; K425-T429 PolarHBondContact O-N 2.76Å; K425-T429 PolarHBondContact O-OG1 3.1Å; K425-T429 VanDerWaalsContact O-OG1 3.07Å; T429-L431 VanDerWaalsContact C-N 3.3Å; T429-L431 PolarHBondContact O-N 2.99Å; T429-N432 PolarHBondContact O-N 3.44Å; T429-E433 WeakPolarHBondContact O-CG 3.19Å; T429-E433 PolarHBondContact O-N 3.43Å
430A95.8Very high95.6Very high15 Ų1544.4 Ų44.412%0.12427%0.27CS..Hα-helixtrans-60.5-39.7179.200000112.2V426 G427 Q434 L455 K459V426-A430 WeakPolarHBondContact O-CB 3.23Å; V426-A430 PolarHBondContact O-N 3.07Å; V426-A430 VanDerWaalsContact O-N 3.07Å; G427-A430 PolarHBondContact O-N 3.48Å; A430-Q434 WeakPolarHBondContact O-CG 3.31Å; A430-Q434 PolarHBondContact O-N 3.41Å; A430-Q434 VanDerWaalsContact O-N 3.08Å; A430-L455 HydrophobicContact CB-CD1 4.27Å; A430-L455 HydrophobicContact CB-CD2 3.86Å; A430-L455 HydrophobicContact CB-CG 4.24Å; A430-K459 HydrophobicContact CB-CB 4.32Å; A430-K459 HydrophobicContact CB-CG 4.23Å
431L96.7Very high95.5Very high12 Ų1246.7 Ų46.76%0.06328%0.28CS..Hα-helixtrans-66.7-44.1177.7-175.563000112L394 G427 A428 T429 E433 Q434 Y435 L440 I452 L455L394-L431 HydrophobicContact CD1-CD1 4.2Å; L394-L431 HydrophobicContact CD1-CD2 4.3Å; L394-L431 HydrophobicContact CD1-CG 4.21Å; L394-L431 HydrophobicContact CD2-CD2 4.39Å; L394-L431 HydrophobicContact CD2-CG 4.1Å; L394-L431 HydrophobicContact CG-CD2 4.03Å; L394-L431 HydrophobicContact CG-CG 4.17Å; G427-L431 VanDerWaalsContact O-CB 3.25Å; G427-L431 WeakPolarHBondContact O-CB 3.44Å; G427-L431 PolarHBondContact O-N 3.05Å; A428-L431 PolarHBondContact O-N 3.41Å; T429-L431 VanDerWaalsContact C-N 3.3Å; T429-L431 PolarHBondContact O-N 2.99Å; L431-E433 VanDerWaalsContact C-N 3.34Å; L431-E433 PolarHBondContact O-N 3.35Å; L431-Q434 PolarHBondContact O-N 3.01Å; L431-Y435 WeakPolarHBondContact O-CB 3.25Å; L431-Y435 PolarHBondContact O-N 2.9Å; L431-L440 HydrophobicContact CD1-CD1 3.57Å; L431-L440 HydrophobicContact CG-CD1 4.48Å; L431-I452 HydrophobicContact CD1-CG1 3.75Å; L431-L455 HydrophobicContact CB-CD1 4.31Å; L431-L455 HydrophobicContact CB-CD2 4.43Å; L431-L455 HydrophobicContact CD1-CD1 4.2Å
432N97.2Very high95.4Very high58 Ų5847.3 Ų47.331%0.3128%0.284SS..Hα-helixtrans-65.6-36.7178.5-168.164.1000112.3C398 A428 T429 S436C398-N432 HydrophobicContact CB-CB 4.12Å; A428-N432 VanDerWaalsContact O-CB 3.27Å; A428-N432 WeakPolarHBondContact O-CB 3.47Å; A428-N432 PolarHBondContact O-N 3.48Å; T429-N432 PolarHBondContact O-N 3.44Å; N432-S436 VanDerWaalsContact O-CB 3.27Å; N432-S436 WeakPolarHBondContact O-CB 3.31Å; N432-S436 PolarHBondContact O-N 3.34Å; N432-S436 PolarHBondContact O-OG 3.46Å
433E96.8Very high95.3Very high118 Ų11847.8 Ų47.855%0.55129%0.287SS*.Hα-helixtrans-63.7-46.3173.1-74.3174.1179.100112.1T429 L431 S436 S437T429-E433 WeakPolarHBondContact O-CG 3.19Å; T429-E433 PolarHBondContact O-N 3.43Å; L431-E433 VanDerWaalsContact C-N 3.34Å; L431-E433 PolarHBondContact O-N 3.35Å; E433-S436 PolarHBondContact O-N 3.46Å; E433-S437 WeakPolarHBondContact O-CB 3.17Å; E433-S437 PolarHBondContact O-N 3.2Å; E433-S437 PolarHBondContact O-OG 3.12Å
434Q94.6Very high95.3Very high86 Ų8646.9 Ų46.940%0.40228%0.281SS..Hα-helixtrans-64.9-40.3177.2-71.7-62.3-45.800112A430 L431 S437 G438 G439 L440 L455A430-Q434 WeakPolarHBondContact O-CG 3.31Å; A430-Q434 PolarHBondContact O-N 3.41Å; A430-Q434 VanDerWaalsContact O-N 3.08Å; L431-Q434 PolarHBondContact O-N 3.01Å; Q434-S437 WeakPolarHBondContact CA-OG 3.45Å; Q434-S437 PolarHBondContact O-OG 3.3Å; Q434-G438 PolarHBondContact O-N 3.27Å; Q434-G439 WeakPolarHBondContact O-CA 3.45Å; Q434-G439 PolarHBondContact O-N 2.92Å; Q434-L440 HydrophobicContact CB-CD1 4.28Å; Q434-L440 HydrophobicContact CB-CD2 3.92Å; Q434-L440 HydrophobicContact CB-CG 3.86Å; Q434-L455 HydrophobicContact CB-CD1 4.4Å; Q434-L455 HydrophobicContact CG-CD1 3.92Å
435Y96.1Very high95.2Very high76 Ų7646.8 Ų46.830%0.29828%0.281SS..Hα-helixtrans-63.1-49.1174.4177.8-110.2000111.9G391 L394 T395 L431 S437 G438 V442G391-Y435 VanDerWaalsContact CA-OH 3.31Å; G391-Y435 WeakPolarHBondContact CA-OH 3.27Å; L394-Y435 HydrophobicContact CD1-CD2 4.39Å; L394-Y435 HydrophobicContact CD2-CD1 4.13Å; L394-Y435 HydrophobicContact CD2-CD2 4.3Å; L394-Y435 HydrophobicContact CD2-CG 3.77Å; T395-Y435 HydrophobicContact CG2-CD1 3.52Å; T395-Y435 HydrophobicContact CG2-CE1 3.38Å; L431-Y435 WeakPolarHBondContact O-CB 3.25Å; L431-Y435 PolarHBondContact O-N 2.9Å; Y435-S437 VanDerWaalsContact C-N 3.26Å; Y435-S437 PolarHBondContact O-N 3.36Å; Y435-G438 PolarHBondContact O-N 3.47Å; Y435-V442 HydrophobicContact CD2-CG2 3.91Å; Y435-V442 HydrophobicContact CE2-CG2 3.84Å
436S94.7Very high95Very high86 Ų8644 Ų4460%0.60127%0.27SS*.Hα-helixtrans-65.6-28.9-176.8-57.50000113.1N432 E433 G438N432-S436 VanDerWaalsContact O-CB 3.27Å; N432-S436 WeakPolarHBondContact O-CB 3.31Å; N432-S436 PolarHBondContact O-N 3.34Å; N432-S436 PolarHBondContact O-OG 3.46Å; E433-S436 PolarHBondContact O-N 3.46Å; S436-G438 VanDerWaalsContact C-N 3.31Å
437S94.3Very high94.8Very high83 Ų8341.4 Ų41.458%0.5825%0.254SS*.THydrogen-bonded Turntrans-84.7-0.8175.655.30000113.9E433 Q434 Y435 G439E433-S437 WeakPolarHBondContact O-CB 3.17Å; E433-S437 PolarHBondContact O-N 3.2Å; E433-S437 PolarHBondContact O-OG 3.12Å; Q434-S437 WeakPolarHBondContact CA-OG 3.45Å; Q434-S437 PolarHBondContact O-OG 3.3Å; Y435-S437 VanDerWaalsContact C-N 3.26Å; Y435-S437 PolarHBondContact O-N 3.36Å; S437-G439 VanDerWaalsContact C-N 3.28Å; S437-G439 PolarHBondContact O-N 3.21Å
438G91.1Very high94.8Very high64 Ų6441.6 Ų41.666%0.6626%0.255SS*.THydrogen-bonded Turntrans73.617-176.600000114.1Q434 Y435 S436 L440Q434-G438 PolarHBondContact O-N 3.27Å; Y435-G438 PolarHBondContact O-N 3.47Å; S436-G438 VanDerWaalsContact C-N 3.31Å; G438-L440 VanDerWaalsContact C-N 3.29Å; G438-L440 PolarHBondContact O-N 3.42Å
439G89.7Confident94.7Very high32 Ų3242.2 Ų42.233%0.3326%0.258SS..  trans-80.70-179.400000115.2Q434 S437Q434-G439 WeakPolarHBondContact O-CA 3.45Å; Q434-G439 PolarHBondContact O-N 2.92Å; S437-G439 VanDerWaalsContact C-N 3.28Å; S437-G439 PolarHBondContact O-N 3.21Å
440L92.6Very high94.5Very high17 Ų1740.9 Ų40.99%0.08926%0.255CS..SBendtrans-113.7136.4178.9-61.3179.8000112L394 L431 Q434 G438 V442 L448 E451L394-L440 HydrophobicContact CD1-CD1 3.81Å; L431-L440 HydrophobicContact CD1-CD1 3.57Å; L431-L440 HydrophobicContact CG-CD1 4.48Å; Q434-L440 HydrophobicContact CB-CD1 4.28Å; Q434-L440 HydrophobicContact CB-CD2 3.92Å; Q434-L440 HydrophobicContact CB-CG 3.86Å; G438-L440 VanDerWaalsContact C-N 3.29Å; G438-L440 PolarHBondContact O-N 3.42Å; L440-V442 VanDerWaalsContact C-N 3.33Å; L440-V442 HydrophobicContact CB-CG2 4.25Å; L440-V442 PolarHBondContact O-N 2.9Å; L440-L448 HydrophobicContact CB-CD1 3.87Å; L440-L448 HydrophobicContact CD1-CD1 4.09Å; L440-L448 HydrophobicContact CG-CD1 4.39Å; L440-E451 WeakPolarHBondContact CA-OE2 3.5Å; L440-E451 HydrophobicContact CD2-CB 3.99Å
441H93.4Very high94.4Very high61 Ų6142 Ų4228%0.28226%0.258SS..  trans-8668.1-178.9-66.995.4000112.6I377 S443 V444 V447 E451I377-H441 WeakPolarHBondContact CD1-CD2 3.37Å; I377-H441 WeakPolarHBondContact CD1-NE2 3.38Å; H441-S443 PolarHBondContact O-N 3.47Å; H441-S443 VanDerWaalsContact O-N 3.13Å; H441-V444 CarbonylContact O-C 3.42Å; H441-V444 PolarHBondContact O-N 3.01Å; H441-V447 HydrophobicContact CB-CB 4.43Å; H441-V447 HydrophobicContact CB-CG1 3.98Å; H441-E451 IonicContact CE1-OE1 2.69Å; H441-E451 IonicContact CG-OE1 2.83Å; H441-E451 PolarHBondContact N-OE2 3.27Å; H441-E451 IonicContact ND1-OE1 3.73Å; H441-E451 PolarHBondContact ND1-OE1 3.37Å; H441-E451 IonicContact ND1-OE2 3.56Å
442V94Very high94.4Very high13 Ų1342 Ų428%0.07926%0.258CS..THydrogen-bonded Turntrans-62.3-23.3-176.2-175.10000113.7V387 I390 Y435 L440 V444 L448V387-V442 HydrophobicContact CG1-CB 4.49Å; V387-V442 HydrophobicContact CG1-CG1 4.03Å; I390-V442 HydrophobicContact CB-CG1 3.83Å; I390-V442 HydrophobicContact CG2-CG1 3.64Å; Y435-V442 HydrophobicContact CD2-CG2 3.91Å; Y435-V442 HydrophobicContact CE2-CG2 3.84Å; L440-V442 VanDerWaalsContact C-N 3.33Å; L440-V442 HydrophobicContact CB-CG2 4.25Å; L440-V442 PolarHBondContact O-N 2.9Å; V442-V444 VanDerWaalsContact C-N 3.3Å; V442-V444 PolarHBondContact O-N 3.12Å; V442-L448 HydrophobicContact CG2-CD1 4.33Å
443S94.8Very high94.2Very high52 Ų5239.3 Ų39.336%0.36424%0.244SC..THydrogen-bonded Turntrans-74-14.4175580000114.4V381 A382 H441V381-S443 CarbonylContact C-O 3.59Å; V381-S443 WeakPolarHBondContact CA-O 3.49Å; A382-S443 PolarHBondContact N-O 2.98Å; H441-S443 PolarHBondContact O-N 3.47Å; H441-S443 VanDerWaalsContact O-N 3.13Å
444V94.9Very high94Very high10 Ų1036.7 Ų36.76%0.06123%0.231CC..SBendtrans-127.385.9179.6-171.90000108.9I377 V381 H441 V442 S446 V447 L448I377-V444 HydrophobicContact CG2-CB 4.04Å; I377-V444 HydrophobicContact CG2-CG1 4.06Å; I377-V444 HydrophobicContact CG2-CG2 3.7Å; V381-V444 HydrophobicContact CG2-CG2 4.49Å; H441-V444 CarbonylContact O-C 3.42Å; H441-V444 PolarHBondContact O-N 3.01Å; V442-V444 VanDerWaalsContact C-N 3.3Å; V442-V444 PolarHBondContact O-N 3.12Å; V444-S446 VanDerWaalsContact C-N 3.27Å; V444-S446 PolarHBondContact O-N 3.46Å; V444-S446 VanDerWaalsContact O-N 3.12Å; V444-V447 HydrophobicContact CB-CB 4.27Å; V444-V447 HydrophobicContact CB-CG2 4.37Å; V444-V447 HydrophobicContact CG1-CB 4.17Å; V444-V447 HydrophobicContact CG1-CG2 3.8Å; V444-V447 PolarHBondContact O-N 3.31Å; V444-L448 PolarHBondContact O-N 3Å
445P95.7Very high94Very high0 Ų033.4 Ų33.40%022%0.216CC..Hα-helixtrans-55.6-34.1-170.3-31.838.6000115.5A382 I390 V447 L448 L449 L479 L483 W488A382-P445 HydrophobicContact CB-CG 4.19Å; I390-P445 HydrophobicContact CD1-CG 3.83Å; P445-V447 VanDerWaalsContact C-N 3.33Å; P445-V447 PolarHBondContact O-N 2.88Å; P445-L448 PolarHBondContact O-N 2.89Å; P445-L449 WeakPolarHBondContact O-CG 3.38Å; P445-L449 PolarHBondContact O-N 3.36Å; P445-L479 HydrophobicContact CB-CD1 3.94Å; P445-L483 HydrophobicContact CB-CD2 3.91Å; P445-L483 HydrophobicContact CG-CD1 4Å; P445-L483 HydrophobicContact CG-CD2 3.7Å; P445-W488 HydrophobicContact CB-CH2 3.82Å; P445-W488 HydrophobicContact CB-CZ2 3.66Å; P445-W488 HydrophobicContact CG-CZ2 3.98Å
446S94.8Very high93.9Very high9 Ų930.2 Ų30.26%0.06320%0.204CC..Hα-helixtrans-60.8-41.1174.339.30000112.4V444 G450 S476 L479V444-S446 VanDerWaalsContact C-N 3.27Å; V444-S446 PolarHBondContact O-N 3.46Å; V444-S446 VanDerWaalsContact O-N 3.12Å; S446-G450 PolarHBondContact O-N 2.99Å; S446-S476 VanDerWaalsContact CB-O 3.32Å; S446-S476 WeakPolarHBondContact CB-O 3.32Å; S446-S476 WeakPolarHBondContact O-CB 3.26Å; S446-L479 PolarHBondContact OG-O 3.24Å
447V93Very high93.7Very high18 Ų1831.9 Ų31.911%0.10920%0.202CC..Hα-helixtrans-71.1-45175.9176.20000110.7I377 H441 V444 P445 L449 G450 E451I377-V447 HydrophobicContact CG2-CG2 4.05Å; H441-V447 HydrophobicContact CB-CB 4.43Å; H441-V447 HydrophobicContact CB-CG1 3.98Å; V444-V447 HydrophobicContact CB-CB 4.27Å; V444-V447 HydrophobicContact CB-CG2 4.37Å; V444-V447 HydrophobicContact CG1-CB 4.17Å; V444-V447 HydrophobicContact CG1-CG2 3.8Å; V444-V447 PolarHBondContact O-N 3.31Å; P445-V447 VanDerWaalsContact C-N 3.33Å; P445-V447 PolarHBondContact O-N 2.88Å; V447-L449 VanDerWaalsContact C-N 3.32Å; V447-L449 PolarHBondContact O-N 3.48Å; V447-G450 CarbonylContact O-C 3.57Å; V447-G450 WeakPolarHBondContact O-CA 3.47Å; V447-G450 PolarHBondContact O-N 3.32Å; V447-E451 HydrophobicContact CG1-CG 4.3Å; V447-E451 WeakPolarHBondContact O-CG 3.45Å; V447-E451 PolarHBondContact O-N 2.65Å
448L95.3Very high93.5Very high4 Ų433.3 Ų33.32%0.02120%0.199CC..Hα-helixtrans-52.7-47.8175.9175.365.9000112.3I390 L394 L440 V442 V444 P445 G450 E451 I452I390-L448 HydrophobicContact CG2-CD2 3.45Å; I390-L448 VanDerWaalsContact CG2-CD2 3.45Å; L394-L448 HydrophobicContact CD1-CD1 4.4Å; L440-L448 HydrophobicContact CB-CD1 3.87Å; L440-L448 HydrophobicContact CD1-CD1 4.09Å; L440-L448 HydrophobicContact CG-CD1 4.39Å; V442-L448 HydrophobicContact CG2-CD1 4.33Å; V444-L448 PolarHBondContact O-N 3Å; P445-L448 PolarHBondContact O-N 2.89Å; L448-G450 VanDerWaalsContact C-N 3.3Å; L448-G450 PolarHBondContact O-N 2.86Å; L448-E451 WeakPolarHBondContact O-CB 3.42Å; L448-E451 PolarHBondContact O-N 3.34Å; L448-I452 HydrophobicContact CD1-CD1 4.19Å; L448-I452 HydrophobicContact CD1-CG1 4.35Å; L448-I452 HydrophobicContact CG-CD1 4.01Å; L448-I452 VanDerWaalsContact O-CG1 3.3Å; L448-I452 WeakPolarHBondContact O-CG1 3.37Å; L448-I452 PolarHBondContact O-N 3.27Å
449L96Very high93.6Very high15 Ų1536.6 Ų36.68%0.07920%0.195CC..Hα-helixtrans-63.7-37.7178.6-62.8-167.2000111.5P445 V447 E451 I452 A453 F472 A475 L479P445-L449 WeakPolarHBondContact O-CG 3.38Å; P445-L449 PolarHBondContact O-N 3.36Å; V447-L449 VanDerWaalsContact C-N 3.32Å; V447-L449 PolarHBondContact O-N 3.48Å; L449-E451 VanDerWaalsContact C-N 3.35Å; L449-I452 HydrophobicContact CD2-CD1 4.2Å; L449-I452 PolarHBondContact O-N 3.47Å; L449-A453 WeakPolarHBondContact O-CB 3.49Å; L449-A453 PolarHBondContact O-N 3.32Å; L449-F472 HydrophobicContact CB-CD1 4.49Å; L449-F472 HydrophobicContact CD2-CD1 3.82Å; L449-F472 HydrophobicContact CD2-CE1 4.14Å; L449-F472 WeakPolarHBondContact O-CB 3.41Å; L449-A475 HydrophobicContact CD1-CB 3.69Å; L449-L479 HydrophobicContact CD1-CD1 3.83Å
450G93.5Very high93.7Very high29 Ų2936.3 Ų36.330%0.29919%0.187SC..Hα-helixtrans-62.9-38.417300000113.3S446 V447 L448 A453 K454S446-G450 PolarHBondContact O-N 2.99Å; V447-G450 CarbonylContact O-C 3.57Å; V447-G450 WeakPolarHBondContact O-CA 3.47Å; V447-G450 PolarHBondContact O-N 3.32Å; L448-G450 VanDerWaalsContact C-N 3.3Å; L448-G450 PolarHBondContact O-N 2.86Å; G450-A453 WeakPolarHBondContact O-CB 3.41Å; G450-A453 PolarHBondContact O-N 3.01Å; G450-K454 PolarHBondContact O-N 3.5Å
451E93.6Very high93.2Very high39 Ų3936.7 Ų36.718%0.18220%0.196CC..Hα-helixtrans-66.8-43175.8-69173.315000111.9L440 H441 V447 L448 L449 A453 K454 L455L440-E451 WeakPolarHBondContact CA-OE2 3.5Å; L440-E451 HydrophobicContact CD2-CB 3.99Å; H441-E451 IonicContact CE1-OE1 2.69Å; H441-E451 IonicContact CG-OE1 2.83Å; H441-E451 PolarHBondContact N-OE2 3.27Å; H441-E451 IonicContact ND1-OE1 3.73Å; H441-E451 PolarHBondContact ND1-OE1 3.37Å; H441-E451 IonicContact ND1-OE2 3.56Å; V447-E451 HydrophobicContact CG1-CG 4.3Å; V447-E451 WeakPolarHBondContact O-CG 3.45Å; V447-E451 PolarHBondContact O-N 2.65Å; L448-E451 WeakPolarHBondContact O-CB 3.42Å; L448-E451 PolarHBondContact O-N 3.34Å; L449-E451 VanDerWaalsContact C-N 3.35Å; E451-A453 VanDerWaalsContact C-N 3.3Å; E451-A453 PolarHBondContact O-N 3.05Å; E451-K454 PolarHBondContact O-N 3.4Å; E451-L455 VanDerWaalsContact O-CB 3.3Å; E451-L455 WeakPolarHBondContact O-CB 3.18Å; E451-L455 PolarHBondContact O-N 2.88Å
452I95.7Very high93Very high12 Ų1237.1 Ų37.16%0.06222%0.216CC..Hα-helixtrans-60.7-43.7174.2-63.1167.6000109.9L431 L448 L449 K454 L455 F456 F472L431-I452 HydrophobicContact CD1-CG1 3.75Å; L448-I452 HydrophobicContact CD1-CD1 4.19Å; L448-I452 HydrophobicContact CD1-CG1 4.35Å; L448-I452 HydrophobicContact CG-CD1 4.01Å; L448-I452 VanDerWaalsContact O-CG1 3.3Å; L448-I452 WeakPolarHBondContact O-CG1 3.37Å; L448-I452 PolarHBondContact O-N 3.27Å; L449-I452 HydrophobicContact CD2-CD1 4.2Å; L449-I452 PolarHBondContact O-N 3.47Å; I452-K454 PolarHBondContact O-N 3.45Å; I452-L455 PolarHBondContact O-N 2.95Å; I452-F456 HydrophobicContact CG2-CD2 3.8Å; I452-F456 HydrophobicContact CG2-CE2 3.91Å; I452-F456 WeakPolarHBondContact O-CD2 3.48Å; I452-F456 PolarHBondContact O-N 3.18Å; I452-F472 HydrophobicContact CB-CD2 4.25Å; I452-F472 HydrophobicContact CB-CG 4.33Å; I452-F472 HydrophobicContact CG2-CD1 4.43Å; I452-F472 HydrophobicContact CG2-CD2 3.41Å; I452-F472 VanDerWaalsContact CG2-CD2 3.41Å; I452-F472 HydrophobicContact CG2-CE1 4.42Å; I452-F472 HydrophobicContact CG2-CE2 3.42Å; I452-F472 VanDerWaalsContact CG2-CE2 3.42Å; I452-F472 HydrophobicContact CG2-CG 3.96Å; I452-F472 HydrophobicContact CG2-CZ 3.95Å
453A94.6Very high92.9Very high1 Ų141.2 Ų41.21%0.00824%0.241CC..Hα-helixtrans-58.1-51.6178.300000112.2L449 G450 E451 L455 F456 E457 S469 F472 S473L449-A453 WeakPolarHBondContact O-CB 3.49Å; L449-A453 PolarHBondContact O-N 3.32Å; G450-A453 WeakPolarHBondContact O-CB 3.41Å; G450-A453 PolarHBondContact O-N 3.01Å; E451-A453 VanDerWaalsContact C-N 3.3Å; E451-A453 PolarHBondContact O-N 3.05Å; A453-L455 VanDerWaalsContact C-N 3.29Å; A453-L455 PolarHBondContact O-N 3Å; A453-F456 PolarHBondContact O-N 3.01Å; A453-E457 PolarHBondContact O-N 3.5Å; A453-S469 WeakPolarHBondContact CB-O 3.35Å; A453-S469 WeakPolarHBondContact O-CB 3.31Å; A453-S469 PolarHBondContact O-OG 3.07Å; A453-F472 HydrophobicContact CB-CB 3.86Å; A453-S473 WeakPolarHBondContact CB-OG 3.39Å
454K91.7Very high92.8Very high64 Ų6440 Ų4028%0.27823%0.232SC..Hα-helixtrans-59.7-39.1177.7-174.7174.3-179.2174.50111.9Y369 D372 G450 E451 I452 Q458Y369-K454 PolarHBondContact O-NZ 3.43Å; D372-K454 IonicContact OD1-NZ 3.84Å; D372-K454 PolarHBondContact OD1-NZ 3.45Å; G450-K454 PolarHBondContact O-N 3.5Å; E451-K454 PolarHBondContact O-N 3.4Å; I452-K454 PolarHBondContact O-N 3.45Å; K454-Q458 WeakPolarHBondContact O-CB 3.39Å; K454-Q458 VanDerWaalsContact O-CG 3.26Å; K454-Q458 WeakPolarHBondContact O-CG 3.48Å; K454-Q458 PolarHBondContact O-N 2.89Å
455L93.9Very high92.8Very high17 Ų1739.5 Ų39.59%0.08923%0.229CC..Hα-helixtrans-64.8-48.1178.3-175.8154.8000111.7A430 L431 Q434 E451 I452 A453 E457 Q458 K459A430-L455 HydrophobicContact CB-CD1 4.27Å; A430-L455 HydrophobicContact CB-CD2 3.86Å; A430-L455 HydrophobicContact CB-CG 4.24Å; L431-L455 HydrophobicContact CB-CD1 4.31Å; L431-L455 HydrophobicContact CB-CD2 4.43Å; L431-L455 HydrophobicContact CD1-CD1 4.2Å; Q434-L455 HydrophobicContact CB-CD1 4.4Å; Q434-L455 HydrophobicContact CG-CD1 3.92Å; E451-L455 VanDerWaalsContact O-CB 3.3Å; E451-L455 WeakPolarHBondContact O-CB 3.18Å; E451-L455 PolarHBondContact O-N 2.88Å; I452-L455 PolarHBondContact O-N 2.95Å; A453-L455 VanDerWaalsContact C-N 3.29Å; A453-L455 PolarHBondContact O-N 3Å; L455-E457 PolarHBondContact O-N 3.17Å; L455-Q458 PolarHBondContact O-N 3.46Å; L455-K459 HydrophobicContact CG-CG 4.45Å; L455-K459 WeakPolarHBondContact O-CB 3.34Å; L455-K459 PolarHBondContact O-N 3.07Å
456F94.5Very high92.8Very high9 Ų942.3 Ų42.34%0.03925%0.252CS..Iπ-helixtrans-64.1-40.4178.3-90.9-100.1000112.1L424 I452 A453 Q458 V460 G461 Y468L424-F456 HydrophobicContact CD2-CE1 4.49Å; I452-F456 HydrophobicContact CG2-CD2 3.8Å; I452-F456 HydrophobicContact CG2-CE2 3.91Å; I452-F456 WeakPolarHBondContact O-CD2 3.48Å; I452-F456 PolarHBondContact O-N 3.18Å; A453-F456 PolarHBondContact O-N 3.01Å; F456-Q458 PolarHBondContact O-N 3.31Å; F456-V460 HydrophobicContact CD1-CB 4.29Å; F456-V460 HydrophobicContact CD1-CG2 3.75Å; F456-V460 HydrophobicContact CE1-CG2 4.16Å; F456-V460 HydrophobicContact CG-CG2 4.23Å; F456-V460 VanDerWaalsContact O-CB 3.3Å; F456-V460 WeakPolarHBondContact O-CB 3.32Å; F456-V460 PolarHBondContact O-N 3.11Å; F456-V460 VanDerWaalsContact O-N 3.17Å; F456-G461 PolarHBondContact O-N 2.95Å; F456-Y468 HydrophobicContact CD1-CD2 4.37Å; F456-Y468 HydrophobicContact CD1-CG 4.02Å; F456-Y468 HydrophobicContact CE1-CD1 4.39Å; F456-Y468 HydrophobicContact CE1-CD2 4.27Å; F456-Y468 AromaticContact CE1-CG 3.96Å; F456-Y468 HydrophobicContact CE1-CG 3.96Å
457E91.4Very high92.8Very high121 Ų12143.7 Ų43.757%0.56526%0.258SS*.Iπ-helixtrans-58.2-46.7174.4-173.7-172.6159.800111.9A453 L455A453-E457 PolarHBondContact O-N 3.5Å; L455-E457 PolarHBondContact O-N 3.17Å
458Q90.5Very high93Very high113 Ų11344 Ų4453%0.52826%0.257SS..Iπ-helixtrans-85-32.3-171.3-69.4179.52.100114.8K454 L455 F456K454-Q458 WeakPolarHBondContact O-CB 3.39Å; K454-Q458 VanDerWaalsContact O-CG 3.26Å; K454-Q458 WeakPolarHBondContact O-CG 3.48Å; K454-Q458 PolarHBondContact O-N 2.89Å; L455-Q458 PolarHBondContact O-N 3.46Å; F456-Q458 PolarHBondContact O-N 3.31Å
459K92.4Very high93Very high133 Ų13344.3 Ų44.358%0.57826%0.26SS*.Iπ-helixtrans-104.3-32.4-171.3-61.9-62.8-173.7174.90113.5V426 A430 L455V426-K459 VanDerWaalsContact CG1-O 3.26Å; V426-K459 WeakPolarHBondContact CG1-O 3.36Å; A430-K459 HydrophobicContact CB-CB 4.32Å; A430-K459 HydrophobicContact CB-CG 4.23Å; L455-K459 HydrophobicContact CG-CG 4.45Å; L455-K459 WeakPolarHBondContact O-CB 3.34Å; L455-K459 PolarHBondContact O-N 3.07Å
460V91.4Very high93Very high25 Ų2545.7 Ų45.715%0.15227%0.268CS..Iπ-helixtrans-93.3-51-178.8-175.50000109.6T423 F456 T464T423-V460 HydrophobicContact CG2-CG1 3.3Å; F456-V460 HydrophobicContact CD1-CB 4.29Å; F456-V460 HydrophobicContact CD1-CG2 3.75Å; F456-V460 HydrophobicContact CE1-CG2 4.16Å; F456-V460 HydrophobicContact CG-CG2 4.23Å; F456-V460 VanDerWaalsContact O-CB 3.3Å; F456-V460 WeakPolarHBondContact O-CB 3.32Å; F456-V460 PolarHBondContact O-N 3.11Å; F456-V460 VanDerWaalsContact O-N 3.17Å; V460-T464 HydrophobicContact CG1-CG2 4.3Å
461G82.6Confident93.2Very high26 Ų2645.6 Ų45.627%0.26826%0.259SS..  trans60.6-165.5-175.400000112.8F456 G465F456-G461 PolarHBondContact O-N 2.95Å; G461-G465 VanDerWaalsContact O-CA 3.25Å; G461-G465 WeakPolarHBondContact O-CA 3.47Å; G461-G465 PolarHBondContact O-N 3.12Å
462G89.6Confident93.4Very high69 Ų6945.7 Ų45.771%0.71126%0.259SS*.Hα-helixtrans59.1-165.4-178.300000113.8A466G462-A466 WeakPolarHBondContact O-CB 3.44Å; G462-A466 PolarHBondContact O-N 2.86Å; G462-A466 VanDerWaalsContact O-N 3.14Å
463T91.7Very high93.4Very high99 Ų9947.8 Ų47.861%0.60727%0.274SS*.Hα-helixtrans-63.8-43.5-179.6-53.80000111.3A466 L467T463-A466 PolarHBondContact O-N 3.37Å; T463-L467 HydrophobicContact CG2-CD1 3.8Å; T463-L467 HydrophobicContact CG2-CG 4.2Å; T463-L467 VanDerWaalsContact O-CG 3.23Å; T463-L467 WeakPolarHBondContact O-CG 3.42Å; T463-L467 PolarHBondContact O-N 3.42Å
464T92.6Very high93.5Very high27 Ų2749.2 Ų49.217%0.16629%0.287CS..Hα-helixtrans-60.5-52.5179-58.30000111.5T423 L424 V460 A466 L467 Y468T423-T464 HydrophobicContact CG2-CG2 4.01Å; L424-T464 HydrophobicContact CD2-CG2 3.55Å; L424-T464 HydrophobicContact CG-CG2 4Å; V460-T464 HydrophobicContact CG1-CG2 4.3Å; T464-A466 VanDerWaalsContact C-N 3.26Å; T464-A466 PolarHBondContact O-N 3.39Å; T464-L467 PolarHBondContact O-N 3.41Å; T464-Y468 HydrophobicContact CG2-CD2 3.83Å; T464-Y468 HydrophobicContact CG2-CE2 3.83Å; T464-Y468 VanDerWaalsContact O-CD2 3.31Å; T464-Y468 WeakPolarHBondContact O-CD2 3.1Å; T464-Y468 PolarHBondContact O-N 3.44Å; T464-Y468 VanDerWaalsContact O-N 3.1Å
465G94.5Very high93.7Very high0 Ų046.3 Ų46.30%027%0.274CS..Hα-helixtrans-56.9-40.6177.700000112.6G461 S469G461-G465 VanDerWaalsContact O-CA 3.25Å; G461-G465 WeakPolarHBondContact O-CA 3.47Å; G461-G465 PolarHBondContact O-N 3.12Å; G465-S469 WeakPolarHBondContact O-CB 3.48Å; G465-S469 PolarHBondContact O-N 3.34Å
466A95.3Very high93.8Very high58 Ų5846.8 Ų46.848%0.47928%0.279SS..Hα-helixtrans-64.8-45.9176.400000113G462 T463 T464 S469 L470G462-A466 WeakPolarHBondContact O-CB 3.44Å; G462-A466 PolarHBondContact O-N 2.86Å; G462-A466 VanDerWaalsContact O-N 3.14Å; T463-A466 PolarHBondContact O-N 3.37Å; T464-A466 VanDerWaalsContact C-N 3.26Å; T464-A466 PolarHBondContact O-N 3.39Å; A466-S469 PolarHBondContact O-N 3.27Å; A466-L470 WeakPolarHBondContact O-CB 3.38Å; A466-L470 PolarHBondContact O-N 2.9Å
467L95.8Very high93.6Very high38 Ų3848.6 Ų48.620%0.19930%0.301CS..Hα-helixtrans-62.7-48.6-178.6-70.6172000111.8T463 T464 L470 F471 I499 L512T463-L467 HydrophobicContact CG2-CD1 3.8Å; T463-L467 HydrophobicContact CG2-CG 4.2Å; T463-L467 VanDerWaalsContact O-CG 3.23Å; T463-L467 WeakPolarHBondContact O-CG 3.42Å; T463-L467 PolarHBondContact O-N 3.42Å; T464-L467 PolarHBondContact O-N 3.41Å; L467-L470 PolarHBondContact O-N 3.45Å; L467-F471 PolarHBondContact O-N 2.9Å; L467-I499 HydrophobicContact CB-CD1 4.28Å; L467-I499 HydrophobicContact CD2-CG1 4.39Å; L467-I499 HydrophobicContact CD2-CG2 3.62Å; L467-I499 WeakPolarHBondContact O-CD1 3.42Å; L467-L512 HydrophobicContact CB-CD2 4.45Å; L467-L512 HydrophobicContact CD1-CD2 3.8Å
468Y96.3Very high93.8Very high24 Ų2448.1 Ų48.19%0.09430%0.296CS..Hα-helixtrans-69.2-40.6178.5-76-90.9000111.7L424 F456 T464 L470 F471 F472 I584L424-Y468 HydrophobicContact CD2-CD2 4.3Å; L424-Y468 HydrophobicContact CD2-CE2 3.59Å; F456-Y468 HydrophobicContact CD1-CD2 4.37Å; F456-Y468 HydrophobicContact CD1-CG 4.02Å; F456-Y468 HydrophobicContact CE1-CD1 4.39Å; F456-Y468 HydrophobicContact CE1-CD2 4.27Å; F456-Y468 AromaticContact CE1-CG 3.96Å; F456-Y468 HydrophobicContact CE1-CG 3.96Å; T464-Y468 HydrophobicContact CG2-CD2 3.83Å; T464-Y468 HydrophobicContact CG2-CE2 3.83Å; T464-Y468 VanDerWaalsContact O-CD2 3.31Å; T464-Y468 WeakPolarHBondContact O-CD2 3.1Å; T464-Y468 PolarHBondContact O-N 3.44Å; T464-Y468 VanDerWaalsContact O-N 3.1Å; Y468-L470 VanDerWaalsContact C-N 3.31Å; Y468-L470 PolarHBondContact O-N 2.82Å; Y468-F471 PolarHBondContact O-N 2.91Å; Y468-F472 AromaticContact CD1-CE2 3.96Å; Y468-F472 HydrophobicContact CD1-CE2 3.96Å; Y468-F472 WeakPolarHBondContact O-CD2 3.33Å; Y468-F472 PolarHBondContact O-N 2.97Å; Y468-I584 HydrophobicContact CE1-CD1 3.75Å; Y468-I584 WeakPolarHBondContact OH-CD1 3.48Å
469S95.7Very high94.1Very high12 Ų1242.7 Ų42.78%0.08427%0.271CS..Hα-helixtrans-57.7-45174.6176.80000111.8A453 G465 A466 S473A453-S469 WeakPolarHBondContact CB-O 3.35Å; A453-S469 WeakPolarHBondContact O-CB 3.31Å; A453-S469 PolarHBondContact O-OG 3.07Å; G465-S469 WeakPolarHBondContact O-CB 3.48Å; G465-S469 PolarHBondContact O-N 3.34Å; A466-S469 PolarHBondContact O-N 3.27Å; S469-S473 WeakPolarHBondContact O-CB 3.33Å; S469-S473 PolarHBondContact O-N 3.14Å; S469-S473 PolarHBondContact O-OG 3.44Å
470L96Very high94.1Very high44 Ų4438.7 Ų38.723%0.2326%0.258CS..Hα-helixtrans-64.8-44.3178.6-178.563.5000112.6A466 L467 Y468 S473 A474 A498 Y502A466-L470 WeakPolarHBondContact O-CB 3.38Å; A466-L470 PolarHBondContact O-N 2.9Å; L467-L470 PolarHBondContact O-N 3.45Å; Y468-L470 VanDerWaalsContact C-N 3.31Å; Y468-L470 PolarHBondContact O-N 2.82Å; L470-S473 PolarHBondContact O-N 3.21Å; L470-A474 WeakPolarHBondContact O-CB 3.1Å; L470-A474 PolarHBondContact O-N 3.07Å; L470-A498 HydrophobicContact CD1-CB 4.15Å; L470-A498 WeakPolarHBondContact CD2-O 3.26Å; L470-A498 HydrophobicContact CG-CB 3.93Å; L470-Y502 HydrophobicContact CD1-CD2 3.67Å; L470-Y502 HydrophobicContact CD1-CE2 3.98Å; L470-Y502 HydrophobicContact CD2-CD2 3.76Å; L470-Y502 HydrophobicContact CD2-CG 4.16Å; L470-Y502 HydrophobicContact CG-CD2 4.24Å
471F98.1Very high94.2Very high27 Ų2745.9 Ų45.912%0.11829%0.289CS..Hα-helixtrans-57.2-54.5176.3178.4-84.6000111.3L467 Y468 S473 A474 A475 I492 G495 I499 L516L467-F471 PolarHBondContact O-N 2.9Å; Y468-F471 PolarHBondContact O-N 2.91Å; F471-S473 PolarHBondContact O-N 2.96Å; F471-A474 PolarHBondContact O-N 2.86Å; F471-A475 VanDerWaalsContact O-CB 3.32Å; F471-A475 WeakPolarHBondContact O-CB 3.3Å; F471-A475 PolarHBondContact O-N 3.25Å; F471-I492 HydrophobicContact CZ-CG2 4.13Å; F471-G495 VanDerWaalsContact CD2-CA 3.46Å; F471-G495 VanDerWaalsContact O-CA 3.31Å; F471-G495 WeakPolarHBondContact O-CA 3.45Å; F471-I499 HydrophobicContact CB-CD1 3.84Å; F471-I499 HydrophobicContact CB-CG1 4.16Å; F471-I499 HydrophobicContact CD2-CD1 4.18Å; F471-I499 HydrophobicContact CG-CD1 4.47Å; F471-L516 HydrophobicContact CD2-CD1 4.26Å; F471-L516 HydrophobicContact CE2-CD1 4.23Å; F471-L516 HydrophobicContact CE2-CD2 4.16Å
472F97.2Very high94.8Very high40 Ų4046.6 Ų46.618%0.17529%0.29CS..Hα-helixtrans-69.8-34.1-176-71.3-60.6000112.3L449 I452 A453 Y468 A475 S476L449-F472 HydrophobicContact CB-CD1 4.49Å; L449-F472 HydrophobicContact CD2-CD1 3.82Å; L449-F472 HydrophobicContact CD2-CE1 4.14Å; L449-F472 WeakPolarHBondContact O-CB 3.41Å; I452-F472 HydrophobicContact CB-CD2 4.25Å; I452-F472 HydrophobicContact CB-CG 4.33Å; I452-F472 HydrophobicContact CG2-CD1 4.43Å; I452-F472 HydrophobicContact CG2-CD2 3.41Å; I452-F472 VanDerWaalsContact CG2-CD2 3.41Å; I452-F472 HydrophobicContact CG2-CE1 4.42Å; I452-F472 HydrophobicContact CG2-CE2 3.42Å; I452-F472 VanDerWaalsContact CG2-CE2 3.42Å; I452-F472 HydrophobicContact CG2-CG 3.96Å; I452-F472 HydrophobicContact CG2-CZ 3.95Å; A453-F472 HydrophobicContact CB-CB 3.86Å; Y468-F472 AromaticContact CD1-CE2 3.96Å; Y468-F472 HydrophobicContact CD1-CE2 3.96Å; Y468-F472 WeakPolarHBondContact O-CD2 3.33Å; Y468-F472 PolarHBondContact O-N 2.97Å; F472-A475 PolarHBondContact O-N 3.46Å; F472-S476 WeakPolarHBondContact O-CB 3.11Å; F472-S476 PolarHBondContact O-N 3.39Å
473S95.1Very high95.1Very high56 Ų5644.7 Ų44.739%0.39226%0.264SS..Hα-helixtrans-60.2-47.7173-66.70000111.7A453 S469 L470 F471 S476A453-S473 WeakPolarHBondContact CB-OG 3.39Å; S469-S473 WeakPolarHBondContact O-CB 3.33Å; S469-S473 PolarHBondContact O-N 3.14Å; S469-S473 PolarHBondContact O-OG 3.44Å; L470-S473 PolarHBondContact O-N 3.21Å; F471-S473 PolarHBondContact O-N 2.96Å; S473-S476 PolarHBondContact O-N 3.48Å; S473-S476 PolarHBondContact O-OG 3.25Å
474A96.6Very high95.2Very high32 Ų3243.6 Ų43.626%0.26426%0.257SS..Hα-helixtrans-70.9-34.9179.500000112.9L470 F471 A494 A498L470-A474 WeakPolarHBondContact O-CB 3.1Å; L470-A474 PolarHBondContact O-N 3.07Å; F471-A474 PolarHBondContact O-N 2.86Å; A474-A494 WeakPolarHBondContact CB-O 3.47Å; A474-A498 HydrophobicContact CB-CB 3.44Å; A474-A498 VanDerWaalsContact CB-CB 3.44Å
475A97.3Very high95.1Very high2 Ų244.3 Ų44.32%0.01726%0.258CS..Hα-helixtrans-67.1-39175.200000112.2L449 F471 F472 G477 K478 A491L449-A475 HydrophobicContact CD1-CB 3.69Å; F471-A475 VanDerWaalsContact O-CB 3.32Å; F471-A475 WeakPolarHBondContact O-CB 3.3Å; F471-A475 PolarHBondContact O-N 3.25Å; F472-A475 PolarHBondContact O-N 3.46Å; A475-G477 VanDerWaalsContact C-N 3.28Å; A475-G477 PolarHBondContact O-N 3.04Å; A475-K478 WeakPolarHBondContact O-CB 3.36Å; A475-K478 PolarHBondContact O-N 3.42Å; A475-A491 WeakPolarHBondContact CA-O 3.17Å; A475-A491 HydrophobicContact CB-CB 4.04Å; A475-A491 VanDerWaalsContact CB-O 3.25Å; A475-A491 WeakPolarHBondContact CB-O 3.48Å
476S95.1Very high95Very high27 Ų2748.2 Ų48.219%0.18928%0.279CS..Hα-helixtrans-52.1-43.9-175.773.10000113S446 F472 S473 K478 L479S446-S476 VanDerWaalsContact CB-O 3.32Å; S446-S476 WeakPolarHBondContact CB-O 3.32Å; S446-S476 WeakPolarHBondContact O-CB 3.26Å; F472-S476 WeakPolarHBondContact O-CB 3.11Å; F472-S476 PolarHBondContact O-N 3.39Å; S473-S476 PolarHBondContact O-N 3.48Å; S473-S476 PolarHBondContact O-OG 3.25Å; S476-K478 PolarHBondContact O-N 3.12Å; S476-L479 PolarHBondContact O-N 3.39Å
477G91.2Very high95Very high48 Ų4846 Ų4650%0.49526%0.26SS..G310 helixtrans-65.8-18.8-177.700000114.5A475 V480A475-G477 VanDerWaalsContact C-N 3.28Å; A475-G477 PolarHBondContact O-N 3.04Å; G477-V480 WeakPolarHBondContact O-CG2 3.47Å
478K95.7Very high94.9Very high110 Ų11047.2 Ų47.248%0.47826%0.262SS..G310 helixtrans-82.2-17.1179.4-59.3-58.4-173.7-178.70113.4A475 S476 A491 A494A475-K478 WeakPolarHBondContact O-CB 3.36Å; A475-K478 PolarHBondContact O-N 3.42Å; S476-K478 PolarHBondContact O-N 3.12Å; K478-A491 HydrophobicContact CB-CB 3.85Å; K478-A491 HydrophobicContact CG-CB 4.49Å; K478-A494 HydrophobicContact CD-CB 4.44Å; K478-A494 HydrophobicContact CG-CB 3.87Å
479L95.7Very high94.9Very high0 Ų046.4 Ų46.40%026%0.26CS..G310 helixtrans-104.310.1-177.4-59-179.7000113.2P445 S446 L449 S476 L483 A487 W488 A491P445-L479 HydrophobicContact CB-CD1 3.94Å; S446-L479 PolarHBondContact OG-O 3.24Å; L449-L479 HydrophobicContact CD1-CD1 3.83Å; S476-L479 PolarHBondContact O-N 3.39Å; L479-L483 HydrophobicContact CB-CD2 4.08Å; L479-L483 HydrophobicContact CD2-CD2 4.3Å; L479-A487 HydrophobicContact CD2-CB 4Å; L479-W488 HydrophobicContact CD1-CD2 3.94Å; L479-W488 HydrophobicContact CD1-CE3 3.71Å; L479-W488 HydrophobicContact CD1-CH2 3.59Å; L479-W488 HydrophobicContact CD1-CZ2 3.81Å; L479-W488 HydrophobicContact CD1-CZ3 3.53Å; L479-W488 HydrophobicContact CD2-CD2 3.98Å; L479-W488 HydrophobicContact CD2-CE3 4.4Å; L479-W488 HydrophobicContact CD2-CG 4.1Å; L479-A491 HydrophobicContact CD1-CB 4.35Å; L479-A491 HydrophobicContact CD2-CB 4.19Å; L479-A491 HydrophobicContact CG-CB 4.04Å
480V93.3Very high94.9Very high48 Ų4848.6 Ų48.629%0.29128%0.275SS..SBendtrans-65.7-40-178.9177.40000111.2G379 A380 G477G379-V480 CarbonylContact C-O 3.58Å; G379-V480 VanDerWaalsContact CA-O 3.32Å; G379-V480 WeakPolarHBondContact CA-O 3.36Å; A380-V480 PolarHBondContact N-O 2.97Å; G477-V480 WeakPolarHBondContact O-CG2 3.47Å
481H93.5Very high95Very high176 Ų17646.5 Ų46.582%0.81526%0.264SS*.SBendtrans-113.7-13.9-172.1-59-56.7000114.7
482S95Very high94.9Very high42 Ų4247 Ų4729%0.29427%0.268SS..  trans-150.9144-175-179.90000111.2T484 A487S482-T484 WeakPolarHBondContact OG-CG2 3.36Å; S482-T484 PolarHBondContact OG-N 3.45Å; S482-T484 PolarHBondContact OG-OG1 3.07Å; S482-T484 VanDerWaalsContact OG-OG1 3.06Å; S482-A487 VanDerWaalsContact O-CB 3.32Å; S482-A487 WeakPolarHBondContact O-CB 3.29Å
483L95Very high94.9Very high28 Ų2846.8 Ų46.815%0.14727%0.27CS..  trans-117.824.6172.3-56.9178.5000111.5A380 A382 M386 P445 L479A380-L483 HydrophobicContact CB-CD1 4.17Å; A380-L483 HydrophobicContact CB-CD2 4.16Å; A380-L483 HydrophobicContact CB-CG 3.7Å; A382-L483 HydrophobicContact CB-CD1 3.97Å; M386-L483 HydrophobicContact CE-CB 4.13Å; M386-L483 HydrophobicContact SD-CB 4.07Å; M386-L483 HydrophobicContact SD-CD1 3.82Å; M386-L483 HydrophobicContact SD-CG 4.48Å; P445-L483 HydrophobicContact CB-CD2 3.91Å; P445-L483 HydrophobicContact CG-CD1 4Å; P445-L483 HydrophobicContact CG-CD2 3.7Å; L479-L483 HydrophobicContact CB-CD2 4.08Å; L479-L483 HydrophobicContact CD2-CD2 4.3Å
484T93.5Very high95.1Very high77 Ų7745 Ų4547%0.47226%0.258SS..SBendtrans-66.6163.1173.959.10000111S482 D486 A487 W488S482-T484 WeakPolarHBondContact OG-CG2 3.36Å; S482-T484 PolarHBondContact OG-N 3.45Å; S482-T484 PolarHBondContact OG-OG1 3.07Å; S482-T484 VanDerWaalsContact OG-OG1 3.06Å; T484-D486 PolarHBondContact O-N 3Å; T484-A487 WeakPolarHBondContact O-CB 3.4Å; T484-A487 PolarHBondContact O-N 2.91Å; T484-A487 PolarHBondContact OG1-N 3.06Å; T484-W488 PolarHBondContact O-N 2.82Å
485F91Very high95.1Very high42 Ų4243.5 Ų43.518%0.18425%0.245CC..Hα-helixtrans-55-39.5174.2-177.3-95000112.1A487 W488 T489 L523 V527 K535 L538 L539F485-A487 VanDerWaalsContact C-N 3.34Å; F485-A487 PolarHBondContact O-N 3.24Å; F485-W488 PolarHBondContact O-N 3.02Å; F485-T489 WeakPolarHBondContact O-CB 3.43Å; F485-T489 PolarHBondContact O-N 3.47Å; F485-T489 PolarHBondContact O-OG1 3.38Å; F485-L523 HydrophobicContact CZ-CD2 4.06Å; F485-V527 HydrophobicContact CD1-CG2 4.2Å; F485-V527 HydrophobicContact CE1-CG2 4.1Å; F485-K535 HydrophobicContact CD2-CD 4.18Å; F485-K535 HydrophobicContact CD2-CG 4.38Å; F485-K535 HydrophobicContact CG-CD 4.46Å; F485-L538 HydrophobicContact CE1-CD2 3.6Å; F485-L538 HydrophobicContact CZ-CD2 3.42Å; F485-L538 VanDerWaalsContact CZ-CD2 3.42Å; F485-L538 HydrophobicContact CZ-CG 4.23Å; F485-L539 HydrophobicContact CE2-CD2 4.35Å; F485-L539 HydrophobicContact CE2-CG 4.48Å
486D92.5Very high95.2Very high82 Ų8243.5 Ų43.544%0.43925%0.246SC..Hα-helixtrans-66.5-35.3176.9-59.20.1000112.4T484 T489 S490 V527T484-D486 PolarHBondContact O-N 3Å; D486-T489 PolarHBondContact O-N 2.92Å; D486-S490 WeakPolarHBondContact O-CB 3.49Å; D486-S490 PolarHBondContact O-N 2.88Å; D486-S490 PolarHBondContact O-OG 3.36Å; D486-V527 HydrophobicContact CB-CG1 4.22Å
487A94.5Very high95.3Very high10 Ų1045.3 Ų45.38%0.08325%0.253CS..Hα-helixtrans-67.3-44.617600000111.1L479 S482 T484 F485 S490 A491L479-A487 HydrophobicContact CD2-CB 4Å; S482-A487 VanDerWaalsContact O-CB 3.32Å; S482-A487 WeakPolarHBondContact O-CB 3.29Å; T484-A487 WeakPolarHBondContact O-CB 3.4Å; T484-A487 PolarHBondContact O-N 2.91Å; T484-A487 PolarHBondContact OG1-N 3.06Å; F485-A487 VanDerWaalsContact C-N 3.34Å; F485-A487 PolarHBondContact O-N 3.24Å; A487-S490 WeakPolarHBondContact O-CB 3.36Å; A487-S490 PolarHBondContact O-N 3.35Å; A487-A491 WeakPolarHBondContact O-CB 3.33Å; A487-A491 PolarHBondContact O-N 2.67Å
488W94.8Very high95.6Very high65 Ų6543.5 Ų43.525%0.24623%0.234CC..Hα-helixtrans-63.2-41.8173.3-79.8103.1000112.6I390 P445 L479 T484 F485 S490 A491 I492I390-W488 HydrophobicContact CD1-CZ2 4.25Å; P445-W488 HydrophobicContact CB-CH2 3.82Å; P445-W488 HydrophobicContact CB-CZ2 3.66Å; P445-W488 HydrophobicContact CG-CZ2 3.98Å; L479-W488 HydrophobicContact CD1-CD2 3.94Å; L479-W488 HydrophobicContact CD1-CE3 3.71Å; L479-W488 HydrophobicContact CD1-CH2 3.59Å; L479-W488 HydrophobicContact CD1-CZ2 3.81Å; L479-W488 HydrophobicContact CD1-CZ3 3.53Å; L479-W488 HydrophobicContact CD2-CD2 3.98Å; L479-W488 HydrophobicContact CD2-CE3 4.4Å; L479-W488 HydrophobicContact CD2-CG 4.1Å; T484-W488 PolarHBondContact O-N 2.82Å; F485-W488 PolarHBondContact O-N 3.02Å; W488-S490 VanDerWaalsContact C-N 3.34Å; W488-S490 PolarHBondContact O-N 3.25Å; W488-A491 WeakPolarHBondContact O-CB 3.44Å; W488-A491 PolarHBondContact O-N 3.47Å; W488-A491 VanDerWaalsContact O-N 3.17Å; W488-I492 WeakPolarHBondContact O-CG1 3.05Å; W488-I492 PolarHBondContact O-N 2.96Å
489T95.2Very high95.6Very high7 Ų738.6 Ų38.64%0.04321%0.212CC..Hα-helixtrans-59.6-47.2173.8-59.50000110.6F485 D486 A491 I492 V493 L523 V527F485-T489 WeakPolarHBondContact O-CB 3.43Å; F485-T489 PolarHBondContact O-N 3.47Å; F485-T489 PolarHBondContact O-OG1 3.38Å; D486-T489 PolarHBondContact O-N 2.92Å; T489-A491 VanDerWaalsContact C-N 3.26Å; T489-A491 PolarHBondContact O-N 3.18Å; T489-I492 PolarHBondContact O-N 3.4Å; T489-V493 VanDerWaalsContact O-CG2 3.3Å; T489-V493 WeakPolarHBondContact O-CG2 3.44Å; T489-V493 PolarHBondContact O-N 3.14Å; T489-L523 HydrophobicContact CG2-CB 3.68Å; T489-V527 HydrophobicContact CG2-CG2 4.07Å
490S96.5Very high95.7Very high57 Ų5742 Ų4240%0.39923%0.225SC..Hα-helixtrans-61.6-34.1176.2-60.50000112.6D486 A487 W488 A494D486-S490 WeakPolarHBondContact O-CB 3.49Å; D486-S490 PolarHBondContact O-N 2.88Å; D486-S490 PolarHBondContact O-OG 3.36Å; A487-S490 WeakPolarHBondContact O-CB 3.36Å; A487-S490 PolarHBondContact O-N 3.35Å; W488-S490 VanDerWaalsContact C-N 3.34Å; W488-S490 PolarHBondContact O-N 3.25Å; S490-A494 VanDerWaalsContact O-CB 3.24Å; S490-A494 WeakPolarHBondContact O-CB 3.4Å; S490-A494 PolarHBondContact O-N 2.94Å
491A97.4Very high95.8Very high1 Ų148.7 Ų48.71%0.00825%0.245CC..Hα-helixtrans-66.1-49.5177.800000111.6A475 K478 L479 A487 W488 T489 V493 A494 G495A475-A491 WeakPolarHBondContact CA-O 3.17Å; A475-A491 HydrophobicContact CB-CB 4.04Å; A475-A491 VanDerWaalsContact CB-O 3.25Å; A475-A491 WeakPolarHBondContact CB-O 3.48Å; K478-A491 HydrophobicContact CB-CB 3.85Å; K478-A491 HydrophobicContact CG-CB 4.49Å; L479-A491 HydrophobicContact CD1-CB 4.35Å; L479-A491 HydrophobicContact CD2-CB 4.19Å; L479-A491 HydrophobicContact CG-CB 4.04Å; A487-A491 WeakPolarHBondContact O-CB 3.33Å; A487-A491 PolarHBondContact O-N 2.67Å; W488-A491 WeakPolarHBondContact O-CB 3.44Å; W488-A491 PolarHBondContact O-N 3.47Å; W488-A491 VanDerWaalsContact O-N 3.17Å; T489-A491 VanDerWaalsContact C-N 3.26Å; T489-A491 PolarHBondContact O-N 3.18Å; A491-V493 PolarHBondContact O-N 2.75Å; A491-A494 PolarHBondContact O-N 3.48Å; A491-G495 PolarHBondContact O-N 3.42Å
492I97.1Very high95.8Very high38 Ų3848.1 Ų48.120%0.19524%0.237CC..Hα-helixtrans-63.7-42.8179.5-60.6171.7000110.4F471 W488 T489 G495 A496 F519 L523F471-I492 HydrophobicContact CZ-CG2 4.13Å; W488-I492 WeakPolarHBondContact O-CG1 3.05Å; W488-I492 PolarHBondContact O-N 2.96Å; T489-I492 PolarHBondContact O-N 3.4Å; I492-G495 PolarHBondContact O-N 2.94Å; I492-A496 PolarHBondContact O-N 3.35Å; I492-F519 HydrophobicContact CD1-CE1 4.07Å; I492-F519 HydrophobicContact CG2-CD1 4.41Å; I492-L523 HydrophobicContact CD1-CD1 4.4Å
493V97.7Very high95.7Very high35 Ų3548.4 Ų48.421%0.21225%0.246CC..Hα-helixtrans-60.6-47.1175.1171.80000111.1T489 A491 G495 A496 D497 C520 S524T489-V493 VanDerWaalsContact O-CG2 3.3Å; T489-V493 WeakPolarHBondContact O-CG2 3.44Å; T489-V493 PolarHBondContact O-N 3.14Å; A491-V493 PolarHBondContact O-N 2.75Å; V493-G495 VanDerWaalsContact C-N 3.3Å; V493-G495 PolarHBondContact O-N 3.31Å; V493-A496 PolarHBondContact O-N 3.28Å; V493-D497 WeakPolarHBondContact O-CB 3.18Å; V493-D497 PolarHBondContact O-N 3.31Å; V493-C520 HydrophobicContact CG2-CB 4Å; V493-S524 WeakPolarHBondContact CG2-OG 3.33Å
494A98Very high95.6Very high18 Ų1849.7 Ų49.715%0.14927%0.266CS..Hα-helixtrans-61.5-38.9178.600000112.4A474 K478 S490 A491 A498A474-A494 WeakPolarHBondContact CB-O 3.47Å; K478-A494 HydrophobicContact CD-CB 4.44Å; K478-A494 HydrophobicContact CG-CB 3.87Å; S490-A494 VanDerWaalsContact O-CB 3.24Å; S490-A494 WeakPolarHBondContact O-CB 3.4Å; S490-A494 PolarHBondContact O-N 2.94Å; A491-A494 PolarHBondContact O-N 3.48Å; A494-A498 WeakPolarHBondContact O-CB 3.35Å; A494-A498 PolarHBondContact O-N 2.99Å
495G97.8Very high95.6Very high0 Ų046.4 Ų46.40%025%0.247CC..Hα-helixtrans-63.3-48.8174.200000112.7F471 A491 I492 V493 A498 I499F471-G495 VanDerWaalsContact CD2-CA 3.46Å; F471-G495 VanDerWaalsContact O-CA 3.31Å; F471-G495 WeakPolarHBondContact O-CA 3.45Å; A491-G495 PolarHBondContact O-N 3.42Å; I492-G495 PolarHBondContact O-N 2.94Å; V493-G495 VanDerWaalsContact C-N 3.3Å; V493-G495 PolarHBondContact O-N 3.31Å; G495-A498 PolarHBondContact O-N 3.37Å; G495-I499 PolarHBondContact O-N 3.27Å; G495-I499 VanDerWaalsContact O-N 3.13Å
496A97.6Very high95.9Very high3 Ų348.3 Ų48.33%0.02526%0.257CS..Hα-helixtrans-62.4-45.1178.400000111.6I492 V493 A498 I499 R500 L516I492-A496 PolarHBondContact O-N 3.35Å; V493-A496 PolarHBondContact O-N 3.28Å; A496-A498 VanDerWaalsContact C-N 3.32Å; A496-A498 PolarHBondContact O-N 2.87Å; A496-I499 PolarHBondContact O-N 3.48Å; A496-R500 WeakPolarHBondContact O-CG 3.36Å; A496-R500 PolarHBondContact O-N 2.92Å; A496-L516 HydrophobicContact CB-CB 4.32Å
497D97.5Very high96.1Very high64 Ų6447.5 Ų47.534%0.34226%0.256SS..Hα-helixtrans-65.1-33.8177.6-78.7-19.1000112.7V493 R500 R501V493-D497 WeakPolarHBondContact O-CB 3.18Å; V493-D497 PolarHBondContact O-N 3.31Å; D497-R500 PolarHBondContact O-N 3.49Å; D497-R500 IonicContact OD1-NH1 3.84Å; D497-R500 PolarHBondContact OD1-NH1 3.46Å; D497-R501 VanDerWaalsContact O-CB 3.25Å; D497-R501 WeakPolarHBondContact O-CB 3.24Å; D497-R501 PolarHBondContact O-N 2.95Å
498A97.5Very high96.1Very high10 Ų1048 Ų488%0.08326%0.262CS..Hα-helixtrans-63.7-48173.800000110.7L470 A474 A494 G495 A496 R500 R501 Y502L470-A498 HydrophobicContact CD1-CB 4.15Å; L470-A498 WeakPolarHBondContact CD2-O 3.26Å; L470-A498 HydrophobicContact CG-CB 3.93Å; A474-A498 HydrophobicContact CB-CB 3.44Å; A474-A498 VanDerWaalsContact CB-CB 3.44Å; A494-A498 WeakPolarHBondContact O-CB 3.35Å; A494-A498 PolarHBondContact O-N 2.99Å; G495-A498 PolarHBondContact O-N 3.37Å; A496-A498 VanDerWaalsContact C-N 3.32Å; A496-A498 PolarHBondContact O-N 2.87Å; A498-R500 VanDerWaalsContact C-N 3.34Å; A498-R500 PolarHBondContact O-N 3.4Å; A498-R501 PolarHBondContact O-N 2.76Å; A498-Y502 VanDerWaalsContact O-CD2 3.29Å; A498-Y502 WeakPolarHBondContact O-CD2 3.25Å; A498-Y502 PolarHBondContact O-N 3.05Å
499I97.1Very high96.2Very high7 Ų745.6 Ų45.64%0.03625%0.254CS..Hα-helixtrans-57.3-47.9174.2-68-177.5000110.8L467 F471 G495 A496 R501 Y502 G503 L512 I513 L516L467-I499 HydrophobicContact CB-CD1 4.28Å; L467-I499 HydrophobicContact CD2-CG1 4.39Å; L467-I499 HydrophobicContact CD2-CG2 3.62Å; L467-I499 WeakPolarHBondContact O-CD1 3.42Å; F471-I499 HydrophobicContact CB-CD1 3.84Å; F471-I499 HydrophobicContact CB-CG1 4.16Å; F471-I499 HydrophobicContact CD2-CD1 4.18Å; F471-I499 HydrophobicContact CG-CD1 4.47Å; G495-I499 PolarHBondContact O-N 3.27Å; G495-I499 VanDerWaalsContact O-N 3.13Å; A496-I499 PolarHBondContact O-N 3.48Å; I499-R501 VanDerWaalsContact C-N 3.35Å; I499-R501 PolarHBondContact O-N 3.34Å; I499-Y502 PolarHBondContact O-N 3.36Å; I499-G503 VanDerWaalsContact O-CA 3.26Å; I499-G503 WeakPolarHBondContact O-CA 3.41Å; I499-G503 PolarHBondContact O-N 3.48Å; I499-L512 HydrophobicContact CD1-CD1 3.8Å; I499-L512 HydrophobicContact CG2-CD1 4.21Å; I499-I513 HydrophobicContact CB-CD1 3.84Å; I499-I513 HydrophobicContact CG2-CD1 3.5Å; I499-I513 HydrophobicContact CG2-CG1 3.93Å; I499-L516 HydrophobicContact CD1-CD1 4.37Å
500R96.1Very high96.3Very high72 Ų7245.3 Ų45.327%0.27225%0.252SS..Hα-helixtrans-58.2-47.5179-69.5173.860.6-148.85.5111.5A496 D497 A498 Y502 G504 A505 E506 I513A496-R500 WeakPolarHBondContact O-CG 3.36Å; A496-R500 PolarHBondContact O-N 2.92Å; D497-R500 PolarHBondContact O-N 3.49Å; D497-R500 IonicContact OD1-NH1 3.84Å; D497-R500 PolarHBondContact OD1-NH1 3.46Å; A498-R500 VanDerWaalsContact C-N 3.34Å; A498-R500 PolarHBondContact O-N 3.4Å; R500-Y502 PolarHBondContact O-N 3.06Å; R500-G504 WeakPolarHBondContact O-CA 3.32Å; R500-G504 PolarHBondContact O-N 3.05Å; R500-A505 WeakPolarHBondContact CG-O 3.34Å; R500-E506 IonicContact CZ-OE2 2.93Å; R500-E506 IonicContact NE-OE2 2.66Å; R500-E506 PolarHBondContact NE-OE2 3.11Å; R500-E506 VanDerWaalsContact NE-OE2 3.12Å; R500-E506 IonicContact NH2-OE1 3.97Å; R500-E506 IonicContact NH2-OE2 2.65Å; R500-E506 PolarHBondContact NH2-OE2 3.37Å; R500-I513 HydrophobicContact CG-CD1 3.6Å; R500-I513 HydrophobicContact CG-CG1 3.95Å; R500-I513 HydrophobicContact CG-CG2 3.82Å
501R95.8Very high96.2Very high188 Ų18843.4 Ų43.471%0.70924%0.238SC*.Hα-helixtrans-60.1-46.7-178.1-178.6179.5-62.2172.33.4113D497 A498 I499D497-R501 VanDerWaalsContact O-CB 3.25Å; D497-R501 WeakPolarHBondContact O-CB 3.24Å; D497-R501 PolarHBondContact O-N 2.95Å; A498-R501 PolarHBondContact O-N 2.76Å; I499-R501 VanDerWaalsContact C-N 3.35Å; I499-R501 PolarHBondContact O-N 3.34Å
502Y94.7Very high96.2Very high165 Ų16544.1 Ų44.165%0.64724%0.242SC*.Hα-helixtrans-96.5-26.6-173.4-64.1-72.4000113.5L470 A498 I499 R500L470-Y502 HydrophobicContact CD1-CD2 3.67Å; L470-Y502 HydrophobicContact CD1-CE2 3.98Å; L470-Y502 HydrophobicContact CD2-CD2 3.76Å; L470-Y502 HydrophobicContact CD2-CG 4.16Å; L470-Y502 HydrophobicContact CG-CD2 4.24Å; A498-Y502 VanDerWaalsContact O-CD2 3.29Å; A498-Y502 WeakPolarHBondContact O-CD2 3.25Å; A498-Y502 PolarHBondContact O-N 3.05Å; I499-Y502 PolarHBondContact O-N 3.36Å; R500-Y502 PolarHBondContact O-N 3.06Å
503G91.9Very high96.2Very high47 Ų4742.4 Ų42.449%0.48523%0.233SC..Hα-helixtrans-86.9-18.7175.900000113.9I499 A505I499-G503 VanDerWaalsContact O-CA 3.26Å; I499-G503 WeakPolarHBondContact O-CA 3.41Å; I499-G503 PolarHBondContact O-N 3.48Å; G503-A505 PolarHBondContact O-N 2.89Å
504G92.9Very high96.3Very high55 Ų5541.1 Ų41.157%0.56723%0.225SC*.  trans72.17.8176.900000115.3R500R500-G504 WeakPolarHBondContact O-CA 3.32Å; R500-G504 PolarHBondContact O-N 3.05Å
505A94.3Very high96.3Very high9 Ų940.2 Ų40.27%0.07422%0.218CC..  trans-87139.9177.500000111.2R500 G503 T511 I513 A560R500-A505 WeakPolarHBondContact CG-O 3.34Å; G503-A505 PolarHBondContact O-N 2.89Å; A505-T511 HydrophobicContact CB-CG2 4.13Å; A505-I513 HydrophobicContact CB-CG1 4.18Å; A505-A560 HydrophobicContact CB-CB 3.87Å
506E96.2Very high96.3Very high82 Ų8240.8 Ų40.838%0.38322%0.221SC..  trans-116.6160.8176.5-67.8-62.8165.100111.7R500 G508 D509R500-E506 IonicContact CZ-OE2 2.93Å; R500-E506 IonicContact NE-OE2 2.66Å; R500-E506 PolarHBondContact NE-OE2 3.11Å; R500-E506 VanDerWaalsContact NE-OE2 3.12Å; R500-E506 IonicContact NH2-OE1 3.97Å; R500-E506 IonicContact NH2-OE2 2.65Å; R500-E506 PolarHBondContact NH2-OE2 3.37Å; E506-G508 PolarHBondContact O-N 3.34Å; E506-D509 PolarHBondContact N-OD2 3.37Å; E506-D509 WeakPolarHBondContact O-CB 3.49Å; E506-D509 VanDerWaalsContact O-CG 3.26Å; E506-D509 PolarHBondContact O-N 2.68Å
507P96.8Very high96.3Very high64 Ų6441.6 Ų41.642%0.41623%0.226SC..THydrogen-bonded Turntrans-53.2132.4168.4-24.734.6000111.6I513P507-I513 HydrophobicContact CG-CG2 4.25Å
508G95.9Very high96.3Very high20 Ų2039.5 Ų39.521%0.20622%0.217CC..THydrogen-bonded Turntrans91.10.1-174.600000114.4E506 R510 D514 R559E506-G508 PolarHBondContact O-N 3.34Å; G508-R510 VanDerWaalsContact C-N 3.26Å; G508-D514 WeakPolarHBondContact CA-OD1 3.39Å; G508-D514 PolarHBondContact N-OD1 3.46Å; G508-R559 PolarHBondContact O-NH2 2.76Å
509D96.2Very high96.4Very high16 Ų1639.2 Ų39.29%0.08621%0.214CC..SBendtrans-84.41.5179.7-70.2-8.6000113.9E506 T511 A558 R559 A560E506-D509 PolarHBondContact N-OD2 3.37Å; E506-D509 WeakPolarHBondContact O-CB 3.49Å; E506-D509 VanDerWaalsContact O-CG 3.26Å; E506-D509 PolarHBondContact O-N 2.68Å; D509-T511 HydrophobicContact CB-CG2 4.34Å; D509-A558 WeakPolarHBondContact O-CA 3.45Å; D509-R559 HydrophobicContact CB-CB 4.1Å; D509-R559 PolarHBondContact O-N 3.11Å; D509-R559 IonicContact OD1-CZ 3.78Å; D509-R559 IonicContact OD1-NE 2.79Å; D509-R559 PolarHBondContact OD1-NE 3.08Å; D509-R559 IonicContact OD1-NH2 2.68Å; D509-R559 PolarHBondContact OD1-NH2 3.2Å; D509-A560 HydrophobicContact CB-CB 4.24Å
510R96.4Very high96.4Very high1 Ų139.5 Ų39.50%0.00422%0.216CC..SBendtrans64.163.9-178.9-164.5-176.5177.8-84.53111.6G508 D514 T553 M556 A558 K573 E574 D575G508-R510 VanDerWaalsContact C-N 3.26Å; R510-D514 VanDerWaalsContact CA-OD2 3.28Å; R510-D514 WeakPolarHBondContact CA-OD2 3.49Å; R510-D514 PolarHBondContact N-OD2 3.42Å; R510-D514 VanDerWaalsContact N-OD2 3.1Å; R510-T553 WeakPolarHBondContact CD-O 3.38Å; R510-T553 HydrophobicContact CG-CG2 4.44Å; R510-T553 PolarHBondContact NE-O 3.02Å; R510-M556 HydrophobicContact CB-CB 3.77Å; R510-M556 HydrophobicContact CB-SD 4.41Å; R510-M556 WeakPolarHBondContact CD-O 3.36Å; R510-M556 HydrophobicContact CG-CB 4Å; R510-A558 HydrophobicContact CB-CB 4.24Å; R510-K573 PolarHBondContact NH2-O 3.44Å; R510-E574 PolarHBondContact NH2-O 2.9Å; R510-D575 HydrophobicContact CG-CB 4Å; R510-D575 IonicContact NH1-OD2 3.02Å; R510-D575 PolarHBondContact NH1-OD2 2.97Å
511T96.2Very high96.4Very high16 Ų1641.2 Ų41.210%0.09823%0.228CC..SBendtrans-145.2179.9-178.770.40000111.7A505 D509 I513 D514 A560 D575A505-T511 HydrophobicContact CB-CG2 4.13Å; D509-T511 HydrophobicContact CB-CG2 4.34Å; T511-I513 PolarHBondContact O-N 3.14Å; T511-I513 WeakPolarHBondContact OG1-CB 3.25Å; T511-I513 PolarHBondContact OG1-N 3.28Å; T511-I513 VanDerWaalsContact OG1-N 3.17Å; T511-D514 PolarHBondContact N-OD2 3.35Å; T511-D514 WeakPolarHBondContact O-CB 3.48Å; T511-D514 PolarHBondContact O-N 3.45Å; T511-D514 VanDerWaalsContact O-N 3.1Å; T511-D514 VanDerWaalsContact O-OD2 3.08Å; T511-A560 HydrophobicContact CG2-CB 3.94Å; T511-D575 WeakPolarHBondContact CA-OD1 3.35Å
512L97Very high96.4Very high17 Ų1734 Ų349%0.08921%0.205CC..THydrogen-bonded Turntrans-58-1817170.776000114.7L467 I499 D514 P515 L516 G577 V581L467-L512 HydrophobicContact CB-CD2 4.45Å; L467-L512 HydrophobicContact CD1-CD2 3.8Å; I499-L512 HydrophobicContact CD1-CD1 3.8Å; I499-L512 HydrophobicContact CG2-CD1 4.21Å; L512-D514 VanDerWaalsContact C-N 3.28Å; L512-D514 PolarHBondContact O-N 3.32Å; L512-P515 WeakPolarHBondContact O-CD 3.32Å; L512-L516 HydrophobicContact CD1-CD1 3.62Å; L512-L516 WeakPolarHBondContact O-CG 3.3Å; L512-L516 PolarHBondContact O-N 3.44Å; L512-G577 WeakPolarHBondContact CB-O 3.41Å; L512-V581 HydrophobicContact CB-CG2 3.76Å
513I97.7Very high96.4Very high1 Ų126.3 Ų26.31%0.00518%0.175CC..Hα-helixtrans-69.1-28.1177-73.8-56.3000111.6I499 R500 A505 P507 T511 L516 S517I499-I513 HydrophobicContact CB-CD1 3.84Å; I499-I513 HydrophobicContact CG2-CD1 3.5Å; I499-I513 HydrophobicContact CG2-CG1 3.93Å; R500-I513 HydrophobicContact CG-CD1 3.6Å; R500-I513 HydrophobicContact CG-CG1 3.95Å; R500-I513 HydrophobicContact CG-CG2 3.82Å; A505-I513 HydrophobicContact CB-CG1 4.18Å; P507-I513 HydrophobicContact CG-CG2 4.25Å; T511-I513 PolarHBondContact O-N 3.14Å; T511-I513 WeakPolarHBondContact OG1-CB 3.25Å; T511-I513 PolarHBondContact OG1-N 3.28Å; T511-I513 VanDerWaalsContact OG1-N 3.17Å; I513-L516 HydrophobicContact CD1-CD1 4.37Å; I513-L516 PolarHBondContact O-N 2.93Å; I513-S517 VanDerWaalsContact CG2-OG 3.31Å; I513-S517 WeakPolarHBondContact CG2-OG 3.39Å; I513-S517 WeakPolarHBondContact O-CB 3.42Å; I513-S517 PolarHBondContact O-N 3.24Å; I513-S517 PolarHBondContact O-OG 3.49Å
514D98.3Very high96.4Very high8 Ų826.6 Ų26.64%0.04317%0.169CC..Hα-helixtrans-58.2-60.6-179.5-70.3-73.4000112.2G508 R510 T511 L512 L516 S517 A518 A549 T553G508-D514 WeakPolarHBondContact CA-OD1 3.39Å; G508-D514 PolarHBondContact N-OD1 3.46Å; R510-D514 VanDerWaalsContact CA-OD2 3.28Å; R510-D514 WeakPolarHBondContact CA-OD2 3.49Å; R510-D514 PolarHBondContact N-OD2 3.42Å; R510-D514 VanDerWaalsContact N-OD2 3.1Å; T511-D514 PolarHBondContact N-OD2 3.35Å; T511-D514 WeakPolarHBondContact O-CB 3.48Å; T511-D514 PolarHBondContact O-N 3.45Å; T511-D514 VanDerWaalsContact O-N 3.1Å; T511-D514 VanDerWaalsContact O-OD2 3.08Å; L512-D514 VanDerWaalsContact C-N 3.28Å; L512-D514 PolarHBondContact O-N 3.32Å; D514-L516 PolarHBondContact O-N 2.95Å; D514-S517 PolarHBondContact O-N 2.99Å; D514-A518 WeakPolarHBondContact O-CB 3.3Å; D514-A518 PolarHBondContact O-N 3.38Å; D514-A518 VanDerWaalsContact O-N 3.07Å; D514-A549 HydrophobicContact CB-CB 4.41Å; D514-T553 HydrophobicContact CB-CG2 4.29Å
515P98.4Very high96.3Very high0 Ų030.1 Ų30.10%017%0.169CC..Hα-helixtrans-67.4-33.9176.727-36.1000113.4L512 F519 A546 A549 V550 A578 V581L512-P515 WeakPolarHBondContact O-CD 3.32Å; P515-F519 VanDerWaalsContact O-CB 3.29Å; P515-F519 WeakPolarHBondContact O-CB 3.34Å; P515-F519 PolarHBondContact O-N 3.43Å; P515-A546 HydrophobicContact CB-CB 4.07Å; P515-A549 HydrophobicContact CB-CB 4.48Å; P515-V550 HydrophobicContact CB-CG2 3.73Å; P515-V550 HydrophobicContact CG-CG2 3.96Å; P515-A578 HydrophobicContact CG-CB 3.92Å; P515-V581 HydrophobicContact CB-CB 4.43Å; P515-V581 HydrophobicContact CB-CG1 3.88Å; P515-V581 HydrophobicContact CG-CB 3.75Å; P515-V581 HydrophobicContact CG-CG1 3.66Å
516L97.9Very high95.8Very high12 Ų1230.3 Ų30.36%0.06317%0.17CC..Hα-helixtrans-62.5-45.2176.4-77.9-180000111.6F471 A496 I499 L512 I513 D514 F519 C520 V581F471-L516 HydrophobicContact CD2-CD1 4.26Å; F471-L516 HydrophobicContact CE2-CD1 4.23Å; F471-L516 HydrophobicContact CE2-CD2 4.16Å; A496-L516 HydrophobicContact CB-CB 4.32Å; I499-L516 HydrophobicContact CD1-CD1 4.37Å; L512-L516 HydrophobicContact CD1-CD1 3.62Å; L512-L516 WeakPolarHBondContact O-CG 3.3Å; L512-L516 PolarHBondContact O-N 3.44Å; I513-L516 HydrophobicContact CD1-CD1 4.37Å; I513-L516 PolarHBondContact O-N 2.93Å; D514-L516 PolarHBondContact O-N 2.95Å; L516-F519 PolarHBondContact O-N 3.37Å; L516-C520 WeakPolarHBondContact O-CB 3.25Å; L516-C520 PolarHBondContact O-N 3Å; L516-C520 PolarHBondContact O-SG 3.39Å; L516-V581 HydrophobicContact CD1-CG2 4.43Å; L516-V581 HydrophobicContact CD2-CG1 3.72Å; L516-V581 HydrophobicContact CD2-CG2 4.4Å; L516-V581 HydrophobicContact CG-CG1 3.82Å; L516-V581 HydrophobicContact CG-CG2 4.09Å
517S97.8Very high95.1Very high20 Ų2029 Ų2914%0.1417%0.168CC..Hα-helixtrans-69.2-42.7-178.7-58.80000111.2I513 D514 F519 C520 E521I513-S517 VanDerWaalsContact CG2-OG 3.31Å; I513-S517 WeakPolarHBondContact CG2-OG 3.39Å; I513-S517 WeakPolarHBondContact O-CB 3.42Å; I513-S517 PolarHBondContact O-N 3.24Å; I513-S517 PolarHBondContact O-OG 3.49Å; D514-S517 PolarHBondContact O-N 2.99Å; S517-F519 VanDerWaalsContact C-N 3.31Å; S517-F519 PolarHBondContact O-N 3.29Å; S517-C520 PolarHBondContact O-N 3.08Å; S517-E521 WeakPolarHBondContact O-CB 3.27Å; S517-E521 PolarHBondContact O-N 2.95Å
518A98.3Very high94.1Very high19 Ų1929.4 Ų29.416%0.15718%0.184CC..Hα-helixtrans-60-41.3174.700000112D514 V522 A545 A549D514-A518 WeakPolarHBondContact O-CB 3.3Å; D514-A518 PolarHBondContact O-N 3.38Å; D514-A518 VanDerWaalsContact O-N 3.07Å; A518-V522 PolarHBondContact O-N 3.3Å; A518-A545 HydrophobicContact CB-CB 4.33Å; A518-A549 HydrophobicContact CB-CB 3.83Å
519F98.3Very high93.1Very high5 Ų532.6 Ų32.62%0.02220%0.203CC..Hα-helixtrans-63.9-49.4174.6-167.3-94.4000111.6I492 P515 L516 S517 E521 V522 L523 L539 A542 A546 L585 V589I492-F519 HydrophobicContact CD1-CE1 4.07Å; I492-F519 HydrophobicContact CG2-CD1 4.41Å; P515-F519 VanDerWaalsContact O-CB 3.29Å; P515-F519 WeakPolarHBondContact O-CB 3.34Å; P515-F519 PolarHBondContact O-N 3.43Å; L516-F519 PolarHBondContact O-N 3.37Å; S517-F519 VanDerWaalsContact C-N 3.31Å; S517-F519 PolarHBondContact O-N 3.29Å; F519-E521 VanDerWaalsContact C-N 3.32Å; F519-E521 PolarHBondContact O-N 3.29Å; F519-V522 PolarHBondContact O-N 3.03Å; F519-L523 HydrophobicContact CD1-CD1 3.85Å; F519-L523 HydrophobicContact CD1-CG 4.32Å; F519-L523 HydrophobicContact CE1-CD1 3.39Å; F519-L523 HydrophobicContact CE1-CG 4.12Å; F519-L523 HydrophobicContact CZ-CD1 4.14Å; F519-L523 PolarHBondContact O-N 3.48Å; F519-L539 HydrophobicContact CZ-CD2 4.38Å; F519-A542 VanDerWaalsContact CD2-C 3.42Å; F519-A542 HydrophobicContact CD2-CB 3.57Å; F519-A542 WeakPolarHBondContact CD2-O 3.33Å; F519-A542 HydrophobicContact CE2-CB 3.53Å; F519-A542 HydrophobicContact CG-CB 4.11Å; F519-A542 HydrophobicContact CZ-CB 4.07Å; F519-A546 HydrophobicContact CB-CB 4.2Å; F519-A546 HydrophobicContact CD2-CB 4.21Å; F519-L585 HydrophobicContact CB-CD1 4.01Å; F519-L585 HydrophobicContact CD1-CD2 4.14Å; F519-L585 HydrophobicContact CD2-CD1 3.82Å; F519-L585 HydrophobicContact CD2-CD2 4.17Å; F519-L585 HydrophobicContact CD2-CG 4.46Å; F519-L585 HydrophobicContact CE1-CD2 4.11Å; F519-L585 HydrophobicContact CE2-CD1 4.48Å; F519-L585 HydrophobicContact CE2-CD2 4.17Å; F519-L585 HydrophobicContact CG-CD1 3.93Å; F519-L585 HydrophobicContact CG-CD2 4.17Å; F519-L585 HydrophobicContact CZ-CD2 4.14Å; F519-V589 HydrophobicContact CE2-CG2 4.26Å; F519-V589 HydrophobicContact CZ-CG2 4.32Å
520C97.1Very high91.8Very high12 Ų1235 Ų358%0.08123%0.232CC..Hα-helixtrans-60.6-38.6179.5-72.50000112.9V493 L516 S517 L523 S524V493-C520 HydrophobicContact CG2-CB 4Å; L516-C520 WeakPolarHBondContact O-CB 3.25Å; L516-C520 PolarHBondContact O-N 3Å; L516-C520 PolarHBondContact O-SG 3.39Å; S517-C520 PolarHBondContact O-N 3.08Å; C520-L523 PolarHBondContact O-N 3.01Å; C520-S524 VanDerWaalsContact O-CB 3.25Å; C520-S524 WeakPolarHBondContact O-CB 3.35Å; C520-S524 PolarHBondContact O-N 3.31Å; C520-S524 PolarHBondContact O-OG 2.84Å
521E96.3Very high90.5Very high108 Ų10837.2 Ų37.251%0.50525%0.247SC..Hα-helixtrans-63.4-43.3-179.3-173.6-179169.600111.5S517 F519 K525S517-E521 WeakPolarHBondContact O-CB 3.27Å; S517-E521 PolarHBondContact O-N 2.95Å; F519-E521 VanDerWaalsContact C-N 3.32Å; F519-E521 PolarHBondContact O-N 3.29Å; E521-K525 HydrophobicContact CG-CD 4.33Å; E521-K525 WeakPolarHBondContact O-CB 3.36Å; E521-K525 VanDerWaalsContact O-CG 3.32Å; E521-K525 WeakPolarHBondContact O-CG 3.25Å; E521-K525 PolarHBondContact O-N 3.03Å; E521-K525 VanDerWaalsContact O-N 3.12Å; E521-K525 VanDerWaalsContact OE1-CE 3.27Å; E521-K525 WeakPolarHBondContact OE1-CE 3.44Å; E521-K525 IonicContact OE1-NZ 3.66Å; E521-K525 PolarHBondContact OE1-NZ 3.37Å
522V95.8Very high89.4Confident38 Ų3842.3 Ų42.323%0.2328%0.283CS..Hα-helixtrans-64-47177.8175.60000111A518 F519 A526 L538 D541 A542 A545A518-V522 PolarHBondContact O-N 3.3Å; F519-V522 PolarHBondContact O-N 3.03Å; V522-A526 PolarHBondContact O-N 2.89Å; V522-L538 HydrophobicContact CG1-CD1 3.93Å; V522-D541 HydrophobicContact CG1-CB 4.24Å; V522-A542 HydrophobicContact CB-CB 3.91Å; V522-A542 HydrophobicContact CG1-CB 3.85Å; V522-A545 HydrophobicContact CG2-CB 3.7Å
523L94Very high88.5Confident3 Ų344.9 Ų44.92%0.01630%0.297CS..Hα-helixtrans-64.8-45.5179.7-61.9-170.4000112.2F485 T489 I492 F519 C520 K525 A526 V527 L538 L539 A542F485-L523 HydrophobicContact CZ-CD2 4.06Å; T489-L523 HydrophobicContact CG2-CB 3.68Å; I492-L523 HydrophobicContact CD1-CD1 4.4Å; F519-L523 HydrophobicContact CD1-CD1 3.85Å; F519-L523 HydrophobicContact CD1-CG 4.32Å; F519-L523 HydrophobicContact CE1-CD1 3.39Å; F519-L523 HydrophobicContact CE1-CG 4.12Å; F519-L523 HydrophobicContact CZ-CD1 4.14Å; F519-L523 PolarHBondContact O-N 3.48Å; C520-L523 PolarHBondContact O-N 3.01Å; L523-K525 VanDerWaalsContact C-N 3.35Å; L523-K525 PolarHBondContact O-N 2.77Å; L523-A526 PolarHBondContact O-N 2.95Å; L523-V527 PolarHBondContact O-N 3.25Å; L523-V527 VanDerWaalsContact O-N 3.14Å; L523-L538 HydrophobicContact CD2-CD1 4.42Å; L523-L538 HydrophobicContact CD2-CD2 4.4Å; L523-L538 HydrophobicContact CD2-CG 3.97Å; L523-L539 HydrophobicContact CD2-CD2 4.33Å; L523-A542 HydrophobicContact CD2-CB 3.78Å; L523-A542 HydrophobicContact CG-CB 4.14Å
524S92.5Very high87.8Confident52 Ų5248.7 Ų48.736%0.36432%0.322SS..Hα-helixtrans-64.2-38.6-177.4-58.50000112.2V493 C520 A526 V527 G528V493-S524 WeakPolarHBondContact CG2-OG 3.33Å; C520-S524 VanDerWaalsContact O-CB 3.25Å; C520-S524 WeakPolarHBondContact O-CB 3.35Å; C520-S524 PolarHBondContact O-N 3.31Å; C520-S524 PolarHBondContact O-OG 2.84Å; S524-A526 VanDerWaalsContact C-N 3.33Å; S524-A526 PolarHBondContact O-N 3.28Å; S524-V527 PolarHBondContact O-N 2.89Å; S524-G528 PolarHBondContact O-N 3.47Å
525K90.9Very high87.3Confident129 Ų12954.7 Ų54.756%0.56135%0.347SS*.Hα-helixtrans-62.1-39.1175.2-77.9176.8-175.6171.10112.3E521 L523 S529E521-K525 HydrophobicContact CG-CD 4.33Å; E521-K525 WeakPolarHBondContact O-CB 3.36Å; E521-K525 VanDerWaalsContact O-CG 3.32Å; E521-K525 WeakPolarHBondContact O-CG 3.25Å; E521-K525 PolarHBondContact O-N 3.03Å; E521-K525 VanDerWaalsContact O-N 3.12Å; E521-K525 VanDerWaalsContact OE1-CE 3.27Å; E521-K525 WeakPolarHBondContact OE1-CE 3.44Å; E521-K525 IonicContact OE1-NZ 3.66Å; E521-K525 PolarHBondContact OE1-NZ 3.37Å; L523-K525 VanDerWaalsContact C-N 3.35Å; L523-K525 PolarHBondContact O-N 2.77Å; K525-S529 WeakPolarHBondContact O-CB 3.43Å; K525-S529 PolarHBondContact O-N 2.88Å; K525-S529 VanDerWaalsContact O-N 3.11Å; K525-S529 PolarHBondContact O-OG 3.32Å
526A84.2Confident86.7Confident13 Ų1360 Ų6011%0.10737%0.372CS..Hα-helixtrans-70.6-39.1179.600000113V522 L523 S524 S529 G530 S531 L538V522-A526 PolarHBondContact O-N 2.89Å; L523-A526 PolarHBondContact O-N 2.95Å; S524-A526 VanDerWaalsContact C-N 3.33Å; S524-A526 PolarHBondContact O-N 3.28Å; A526-S529 PolarHBondContact O-OG 3.3Å; A526-G530 PolarHBondContact O-N 3.2Å; A526-S531 PolarHBondContact O-N 3.21Å; A526-L538 HydrophobicContact CB-CD1 3.4Å; A526-L538 HydrophobicContact CB-CD2 3.39Å; A526-L538 HydrophobicContact CB-CG 4.04Å
527V81.6Confident86.4Confident54 Ų5464.4 Ų64.433%0.32739%0.391SS..Hα-helixtrans-64.6-43.8175.3175.10000110.8F485 D486 T489 L523 S524F485-V527 HydrophobicContact CD1-CG2 4.2Å; F485-V527 HydrophobicContact CE1-CG2 4.1Å; D486-V527 HydrophobicContact CB-CG1 4.22Å; T489-V527 HydrophobicContact CG2-CG2 4.07Å; L523-V527 PolarHBondContact O-N 3.25Å; L523-V527 VanDerWaalsContact O-N 3.14Å; S524-V527 PolarHBondContact O-N 2.89Å
528G75.6Confident86.1Confident73 Ų7364.1 Ų64.175%0.75339%0.388SS*.Hα-helixtrans-72.9-25.1-179.200000115.3S524S524-G528 PolarHBondContact O-N 3.47Å
529S75.1Confident85.9Confident87 Ų8764.1 Ų64.161%0.60839%0.385SS*.Hα-helixtrans-93-6.2-178.154.60000114.5K525 A526 S531K525-S529 WeakPolarHBondContact O-CB 3.43Å; K525-S529 PolarHBondContact O-N 2.88Å; K525-S529 VanDerWaalsContact O-N 3.11Å; K525-S529 PolarHBondContact O-OG 3.32Å; A526-S529 PolarHBondContact O-OG 3.3Å; S529-S531 VanDerWaalsContact C-N 3.28Å; S529-S531 PolarHBondContact O-N 3.17Å
530G67.9Low85.8Confident67 Ų6766.4 Ų66.469%0.69140%0.397SS*.THydrogen-bonded Turntrans62.636.4-171.400000112.4A526 S532A526-G530 PolarHBondContact O-N 3.2Å; G530-S532 PolarHBondContact O-N 2.79Å
531S69.3Low85.7Confident47 Ų4768.5 Ų68.533%0.32941%0.408SS..  trans-50.7132.3-175.9178.50000112.3A526 S529 L533A526-S531 PolarHBondContact O-N 3.21Å; S529-S531 VanDerWaalsContact C-N 3.28Å; S529-S531 PolarHBondContact O-N 3.17Å; S531-L533 VanDerWaalsContact C-N 3.26Å; S531-L533 PolarHBondContact O-N 3.42Å; S531-L533 WeakPolarHBondContact OG-CB 3.43Å; S531-L533 WeakPolarHBondContact OG-CG 3.37Å; S531-L533 PolarHBondContact OG-N 3.02Å
532S73.8Confident85.8Confident123 Ų12363.3 Ų63.386%0.8638%0.384SS*.  trans-85517568.30000113.3G530G530-S532 PolarHBondContact O-N 2.79Å
533L77.4Confident85.9Confident71 Ų7162.2 Ų62.237%0.37238%0.377SS..SBendtrans-66.6142.4179.7-67.7177.1000110.6S531 K535 K537S531-L533 VanDerWaalsContact C-N 3.26Å; S531-L533 PolarHBondContact O-N 3.42Å; S531-L533 WeakPolarHBondContact OG-CB 3.43Å; S531-L533 WeakPolarHBondContact OG-CG 3.37Å; S531-L533 PolarHBondContact OG-N 3.02Å; L533-K535 PolarHBondContact O-N 3Å; L533-K537 HydrophobicContact CD2-CD 4.15Å
534P84.3Confident86Confident82 Ų8267.7 Ų67.753%0.53240%0.402SS..  trans-55.8136.9168.8-23.133.4000110.7E536 K537 L538P534-E536 PolarHBondContact O-N 3.42Å; P534-E536 VanDerWaalsContact O-N 3.12Å; P534-K537 PolarHBondContact O-N 2.98Å; P534-L538 PolarHBondContact O-N 2.95Å; P534-L538 VanDerWaalsContact O-N 3.12Å
535K86.1Confident86.3Confident133 Ų13366.3 Ų66.358%0.57839%0.393SS*.Hα-helixtrans-52.7-36179.8-67.1178.1-178.7173.50112.6F485 L533 L538 L539F485-K535 HydrophobicContact CD2-CD 4.18Å; F485-K535 HydrophobicContact CD2-CG 4.38Å; F485-K535 HydrophobicContact CG-CD 4.46Å; L533-K535 PolarHBondContact O-N 3Å; K535-L538 WeakPolarHBondContact O-CB 3.33Å; K535-L538 PolarHBondContact O-N 3.32Å; K535-L539 WeakPolarHBondContact O-CG 3.48Å; K535-L539 PolarHBondContact O-N 3.07Å
536E87Confident86.7Confident112 Ų11260.1 Ų60.152%0.52337%0.367SS..Hα-helixtrans-59.4-49.1175.9-173.9-178.4-173.500112.6P534 L538 L539 N540 H593P534-E536 PolarHBondContact O-N 3.42Å; P534-E536 VanDerWaalsContact O-N 3.12Å; E536-L538 VanDerWaalsContact C-N 3.29Å; E536-L538 PolarHBondContact O-N 3.19Å; E536-L539 PolarHBondContact O-N 2.86Å; E536-N540 PolarHBondContact O-N 3.48Å; E536-N540 PolarHBondContact O-ND2 3.31Å; E536-H593 WeakPolarHBondContact CG-CE1 3.41Å; E536-H593 WeakPolarHBondContact CG-ND1 3.4Å; E536-H593 IonicContact OE1-CE1 3.76Å; E536-H593 PolarHBondContact OE1-CE1 3.42Å; E536-H593 IonicContact OE1-ND1 2.71Å; E536-H593 PolarHBondContact OE1-ND1 3.07Å
537K90.8Very high87.4Confident105 Ų10561.1 Ų61.146%0.45737%0.37SS..Hα-helixtrans-63.1-40.3177.2-178.4172.3171.5-173.10110.9L533 P534 N540 D541L533-K537 HydrophobicContact CD2-CD 4.15Å; P534-K537 PolarHBondContact O-N 2.98Å; K537-N540 PolarHBondContact O-N 3.31Å; K537-D541 WeakPolarHBondContact O-CB 3.47Å; K537-D541 VanDerWaalsContact O-CG 3.23Å; K537-D541 PolarHBondContact O-N 3.49Å
538L92.2Very high88.2Confident13 Ų1366.2 Ų66.27%0.06838%0.383CS..Hα-helixtrans-62.3-42.9177.8178.260.8000112.7F485 V522 L523 A526 P534 K535 E536 D541 A542F485-L538 HydrophobicContact CE1-CD2 3.6Å; F485-L538 HydrophobicContact CZ-CD2 3.42Å; F485-L538 VanDerWaalsContact CZ-CD2 3.42Å; F485-L538 HydrophobicContact CZ-CG 4.23Å; V522-L538 HydrophobicContact CG1-CD1 3.93Å; L523-L538 HydrophobicContact CD2-CD1 4.42Å; L523-L538 HydrophobicContact CD2-CD2 4.4Å; L523-L538 HydrophobicContact CD2-CG 3.97Å; A526-L538 HydrophobicContact CB-CD1 3.4Å; A526-L538 HydrophobicContact CB-CD2 3.39Å; A526-L538 HydrophobicContact CB-CG 4.04Å; P534-L538 PolarHBondContact O-N 2.95Å; P534-L538 VanDerWaalsContact O-N 3.12Å; K535-L538 WeakPolarHBondContact O-CB 3.33Å; K535-L538 PolarHBondContact O-N 3.32Å; E536-L538 VanDerWaalsContact C-N 3.29Å; E536-L538 PolarHBondContact O-N 3.19Å; L538-D541 PolarHBondContact O-N 2.89Å; L538-A542 WeakPolarHBondContact O-CB 3.16Å; L538-A542 PolarHBondContact O-N 2.87Å
539L94.1Very high89.2Confident19 Ų1963 Ų6310%0.09935%0.35CS..Hα-helixtrans-65.4-40.1176-72.7169.7000111.9F485 F519 L523 K535 E536 A542 L543 V589 I592F485-L539 HydrophobicContact CE2-CD2 4.35Å; F485-L539 HydrophobicContact CE2-CG 4.48Å; F519-L539 HydrophobicContact CZ-CD2 4.38Å; L523-L539 HydrophobicContact CD2-CD2 4.33Å; K535-L539 WeakPolarHBondContact O-CG 3.48Å; K535-L539 PolarHBondContact O-N 3.07Å; E536-L539 PolarHBondContact O-N 2.86Å; L539-A542 PolarHBondContact O-N 3.39Å; L539-L543 WeakPolarHBondContact O-CB 3.39Å; L539-L543 PolarHBondContact O-N 3.08Å; L539-V589 HydrophobicContact CB-CG1 4.14Å; L539-V589 HydrophobicContact CB-CG2 4.37Å; L539-I592 HydrophobicContact CD1-CB 4.35Å; L539-I592 HydrophobicContact CD1-CD1 3.99Å; L539-I592 HydrophobicContact CD1-CG2 3.71Å
540N95.5Very high90.3Very high53 Ų5359.2 Ų59.228%0.28332%0.323SS..Hα-helixtrans-64.2-42.8174.8-80.6-34000112.4E536 K537 A542 L543 Q544E536-N540 PolarHBondContact O-N 3.48Å; E536-N540 PolarHBondContact O-ND2 3.31Å; K537-N540 PolarHBondContact O-N 3.31Å; N540-A542 VanDerWaalsContact C-N 3.33Å; N540-A542 PolarHBondContact O-N 3.17Å; N540-L543 PolarHBondContact O-N 3.48Å; N540-Q544 WeakPolarHBondContact O-CG 3.39Å; N540-Q544 PolarHBondContact O-N 3.35Å
541D95.7Very high91.8Very high56 Ų5659.8 Ų59.830%0.29931%0.31SS..Hα-helixtrans-63.2-40.9176.1-69.7-15.9000110.9V522 K537 L538 Q544 A545V522-D541 HydrophobicContact CG1-CB 4.24Å; K537-D541 WeakPolarHBondContact O-CB 3.47Å; K537-D541 VanDerWaalsContact O-CG 3.23Å; K537-D541 PolarHBondContact O-N 3.49Å; L538-D541 PolarHBondContact O-N 2.89Å; D541-Q544 PolarHBondContact O-N 2.88Å; D541-A545 PolarHBondContact O-N 3.24Å
542A96.9Very high93.1Very high0 Ų062 Ų620%032%0.315CS..Hα-helixtrans-64.9-42.9175.400000111.9F519 V522 L523 L538 L539 N540 Q544 A545 A546F519-A542 VanDerWaalsContact CD2-C 3.42Å; F519-A542 HydrophobicContact CD2-CB 3.57Å; F519-A542 WeakPolarHBondContact CD2-O 3.33Å; F519-A542 HydrophobicContact CE2-CB 3.53Å; F519-A542 HydrophobicContact CG-CB 4.11Å; F519-A542 HydrophobicContact CZ-CB 4.07Å; V522-A542 HydrophobicContact CB-CB 3.91Å; V522-A542 HydrophobicContact CG1-CB 3.85Å; L523-A542 HydrophobicContact CD2-CB 3.78Å; L523-A542 HydrophobicContact CG-CB 4.14Å; L538-A542 WeakPolarHBondContact O-CB 3.16Å; L538-A542 PolarHBondContact O-N 2.87Å; L539-A542 PolarHBondContact O-N 3.39Å; N540-A542 VanDerWaalsContact C-N 3.33Å; N540-A542 PolarHBondContact O-N 3.17Å; A542-Q544 VanDerWaalsContact C-N 3.34Å; A542-Q544 PolarHBondContact O-N 2.89Å; A542-A545 WeakPolarHBondContact O-CB 3.24Å; A542-A545 PolarHBondContact O-N 3.05Å; A542-A546 PolarHBondContact O-N 2.92Å
543L97.9Very high94.2Very high15 Ų1556.1 Ų56.18%0.07927%0.274CS..Hα-helixtrans-63.3-39.2175.7178.861000112L539 N540 A546 N547 L585 R586 V589L539-L543 WeakPolarHBondContact O-CB 3.39Å; L539-L543 PolarHBondContact O-N 3.08Å; N540-L543 PolarHBondContact O-N 3.48Å; L543-A546 PolarHBondContact O-N 2.72Å; L543-N547 WeakPolarHBondContact O-CB 3.33Å; L543-N547 PolarHBondContact O-N 3.41Å; L543-N547 PolarHBondContact O-ND2 2.96Å; L543-L585 HydrophobicContact CD1-CB 3.98Å; L543-R586 HydrophobicContact CD1-CB 4.06Å; L543-R586 HydrophobicContact CD2-CB 4.42Å; L543-R586 HydrophobicContact CD2-CG 4.39Å; L543-V589 HydrophobicContact CB-CG2 4.36Å; L543-V589 HydrophobicContact CD2-CB 4.04Å; L543-V589 HydrophobicContact CD2-CG1 4.02Å
544Q98.1Very high95Very high118 Ų11856.4 Ų56.455%0.55127%0.273SS*.Hα-helixtrans-64.4-40.3174.6-74.1178.920.100111.9N540 D541 A542 N547 R548N540-Q544 WeakPolarHBondContact O-CG 3.39Å; N540-Q544 PolarHBondContact O-N 3.35Å; D541-Q544 PolarHBondContact O-N 2.88Å; A542-Q544 VanDerWaalsContact C-N 3.34Å; A542-Q544 PolarHBondContact O-N 2.89Å; Q544-N547 PolarHBondContact O-N 3.49Å; Q544-R548 WeakPolarHBondContact O-CB 3.49Å; Q544-R548 PolarHBondContact O-N 3.3Å
545A98.3Very high95.4Very high22 Ų2257.7 Ų57.718%0.18228%0.284CS..Hα-helixtrans-62.4-44.5174.500000111.7A518 V522 D541 A542 R548 A549A518-A545 HydrophobicContact CB-CB 4.33Å; V522-A545 HydrophobicContact CG2-CB 3.7Å; D541-A545 PolarHBondContact O-N 3.24Å; A542-A545 WeakPolarHBondContact O-CB 3.24Å; A542-A545 PolarHBondContact O-N 3.05Å; A545-R548 WeakPolarHBondContact O-CB 3.35Å; A545-R548 PolarHBondContact O-N 3.41Å; A545-A549 PolarHBondContact O-N 3.41Å
546A98.5Very high95.8Very high0 Ų053.1 Ų53.10%027%0.265CS..Hα-helixtrans-60.5-49.617500000112.2P515 F519 A542 L543 R548 A549 V550 L585P515-A546 HydrophobicContact CB-CB 4.07Å; F519-A546 HydrophobicContact CB-CB 4.2Å; F519-A546 HydrophobicContact CD2-CB 4.21Å; A542-A546 PolarHBondContact O-N 2.92Å; L543-A546 PolarHBondContact O-N 2.72Å; A546-R548 PolarHBondContact O-N 3.49Å; A546-A549 WeakPolarHBondContact O-CB 3.49Å; A546-A549 PolarHBondContact O-N 3.01Å; A546-A549 VanDerWaalsContact O-N 3.12Å; A546-V550 WeakPolarHBondContact O-CG2 3.48Å; A546-V550 PolarHBondContact O-N 3.17Å; A546-L585 HydrophobicContact CB-CD1 3.67Å
547N98.3Very high96Very high33 Ų3354.6 Ų54.618%0.17627%0.269CS..Hα-helixtrans-60.9-32.8178.3-77.3-53000112.6L543 Q544 N551 R586L543-N547 WeakPolarHBondContact O-CB 3.33Å; L543-N547 PolarHBondContact O-N 3.41Å; L543-N547 PolarHBondContact O-ND2 2.96Å; Q544-N547 PolarHBondContact O-N 3.49Å; N547-N551 PolarHBondContact O-N 3.49Å; N547-N551 VanDerWaalsContact O-N 3.17Å; N547-N551 PolarHBondContact O-ND2 3.26Å; N547-R586 PolarHBondContact OD1-NH2 3.34Å
548R98.5Very high96.1Very high161 Ų16150 Ų5061%0.60825%0.251SS*.Hα-helixtrans-66.4-49.2173.2-171.2-174.2-54.3-175.13.7111Q544 A545 A546 V550 N551 E552Q544-R548 WeakPolarHBondContact O-CB 3.49Å; Q544-R548 PolarHBondContact O-N 3.3Å; A545-R548 WeakPolarHBondContact O-CB 3.35Å; A545-R548 PolarHBondContact O-N 3.41Å; A546-R548 PolarHBondContact O-N 3.49Å; R548-V550 VanDerWaalsContact C-N 3.29Å; R548-V550 PolarHBondContact O-N 3.42Å; R548-N551 WeakPolarHBondContact O-CB 3.37Å; R548-N551 PolarHBondContact O-N 3.48Å; R548-E552 WeakPolarHBondContact CD-OE1 3.44Å; R548-E552 HydrophobicContact CG-CG 4.41Å; R548-E552 WeakPolarHBondContact CG-OE1 3.49Å; R548-E552 WeakPolarHBondContact O-CG 3.3Å; R548-E552 PolarHBondContact O-N 3.39Å
549A98.4Very high96.2Very high6 Ų656.1 Ų56.15%0.0527%0.273CS..Hα-helixtrans-58.8-39.9177.200000112D514 P515 A518 A545 A546 N551 E552 T553D514-A549 HydrophobicContact CB-CB 4.41Å; P515-A549 HydrophobicContact CB-CB 4.48Å; A518-A549 HydrophobicContact CB-CB 3.83Å; A545-A549 PolarHBondContact O-N 3.41Å; A546-A549 WeakPolarHBondContact O-CB 3.49Å; A546-A549 PolarHBondContact O-N 3.01Å; A546-A549 VanDerWaalsContact O-N 3.12Å; A549-N551 PolarHBondContact O-N 3.26Å; A549-E552 PolarHBondContact O-N 3.43Å; A549-T553 WeakPolarHBondContact O-CG2 3.32Å; A549-T553 PolarHBondContact O-N 2.87Å
550V98.3Very high96.1Very high7 Ų756 Ų564%0.04228%0.275CS..Hα-helixtrans-56-49.6170.9175.40000111.1P515 A546 R548 E552 T553 E574 A578 Y579P515-V550 HydrophobicContact CB-CG2 3.73Å; P515-V550 HydrophobicContact CG-CG2 3.96Å; A546-V550 WeakPolarHBondContact O-CG2 3.48Å; A546-V550 PolarHBondContact O-N 3.17Å; R548-V550 VanDerWaalsContact C-N 3.29Å; R548-V550 PolarHBondContact O-N 3.42Å; V550-E552 VanDerWaalsContact C-N 3.34Å; V550-E552 PolarHBondContact O-N 3.43Å; V550-T553 WeakPolarHBondContact O-CB 3.45Å; V550-T553 PolarHBondContact O-N 3.49Å; V550-T553 PolarHBondContact O-OG1 3.03Å; V550-E574 HydrophobicContact CG1-CB 4.41Å; V550-E574 HydrophobicContact CG1-CG 4Å; V550-A578 HydrophobicContact CG2-CB 4.34Å; V550-A578 WeakPolarHBondContact CG2-O 3.45Å; V550-Y579 HydrophobicContact CG1-CD2 4.17Å
551N97.9Very high95.7Very high79 Ų7956 Ų5642%0.42229%0.288SS..Hα-helixtrans-65.5-36-180-80.9-67000113N547 R548 A549 T553 K554N547-N551 PolarHBondContact O-N 3.49Å; N547-N551 VanDerWaalsContact O-N 3.17Å; N547-N551 PolarHBondContact O-ND2 3.26Å; R548-N551 WeakPolarHBondContact O-CB 3.37Å; R548-N551 PolarHBondContact O-N 3.48Å; A549-N551 PolarHBondContact O-N 3.26Å; N551-T553 PolarHBondContact O-N 3.08Å; N551-K554 WeakPolarHBondContact O-CB 3.39Å; N551-K554 WeakPolarHBondContact O-CD 3.42Å; N551-K554 VanDerWaalsContact O-CG 3.31Å; N551-K554 WeakPolarHBondContact O-CG 3.48Å; N551-K554 PolarHBondContact O-N 3.43Å; N551-K554 PolarHBondContact OD1-NZ 3.12Å
552E97.7Very high95.3Very high94 Ų9459.8 Ų59.844%0.43930%0.298SS..Hα-helixtrans-64.3-26.1178.1-71.7170.2179.300112.1R548 A549 V550 K554 S555 M556R548-E552 WeakPolarHBondContact CD-OE1 3.44Å; R548-E552 HydrophobicContact CG-CG 4.41Å; R548-E552 WeakPolarHBondContact CG-OE1 3.49Å; R548-E552 WeakPolarHBondContact O-CG 3.3Å; R548-E552 PolarHBondContact O-N 3.39Å; A549-E552 PolarHBondContact O-N 3.43Å; V550-E552 VanDerWaalsContact C-N 3.34Å; V550-E552 PolarHBondContact O-N 3.43Å; E552-K554 PolarHBondContact O-N 2.92Å; E552-S555 PolarHBondContact O-N 2.99Å; E552-S555 VanDerWaalsContact O-N 3.09Å; E552-S555 PolarHBondContact O-OG 3.4Å; E552-M556 HydrophobicContact CB-CE 3.76Å; E552-M556 WeakPolarHBondContact O-CG 3.27Å; E552-M556 PolarHBondContact O-N 3.35Å
553T96.5Very high95Very high0 Ų060.1 Ų60.10%030%0.3CS..G310 helixtrans-58.2-19.9174.968.60000114.2R510 D514 A549 V550 N551 S555 M556 E574 D575 A578R510-T553 WeakPolarHBondContact CD-O 3.38Å; R510-T553 HydrophobicContact CG-CG2 4.44Å; R510-T553 PolarHBondContact NE-O 3.02Å; D514-T553 HydrophobicContact CB-CG2 4.29Å; A549-T553 WeakPolarHBondContact O-CG2 3.32Å; A549-T553 PolarHBondContact O-N 2.87Å; V550-T553 WeakPolarHBondContact O-CB 3.45Å; V550-T553 PolarHBondContact O-N 3.49Å; V550-T553 PolarHBondContact O-OG1 3.03Å; N551-T553 PolarHBondContact O-N 3.08Å; T553-S555 PolarHBondContact O-N 3.31Å; T553-M556 HydrophobicContact CG2-SD 4.14Å; T553-M556 PolarHBondContact O-N 3.33Å; T553-E574 WeakPolarHBondContact OG1-CA 3.47Å; T553-D575 HydrophobicContact CG2-CB 4.1Å; T553-D575 PolarHBondContact OG1-N 3.04Å; T553-A578 HydrophobicContact CG2-CB 3.71Å
554K94.7Very high94.7Very high77 Ų7761.7 Ų61.734%0.33531%0.312SS..G310 helixtrans-59.4-27.4174.4-70.2172.5178.8161.60114.3N551 E552 L571 K573 E574N551-K554 WeakPolarHBondContact O-CB 3.39Å; N551-K554 WeakPolarHBondContact O-CD 3.42Å; N551-K554 VanDerWaalsContact O-CG 3.31Å; N551-K554 WeakPolarHBondContact O-CG 3.48Å; N551-K554 PolarHBondContact O-N 3.43Å; N551-K554 PolarHBondContact OD1-NZ 3.12Å; E552-K554 PolarHBondContact O-N 2.92Å; K554-L571 VanDerWaalsContact O-O 3.09Å; K554-K573 WeakPolarHBondContact CA-O 3.2Å; K554-E574 WeakPolarHBondContact CE-OE1 3.38Å; K554-E574 WeakPolarHBondContact CE-OE2 3.11Å; K554-E574 HydrophobicContact CG-CG 4.19Å; K554-E574 IonicContact NZ-OE1 2.65Å; K554-E574 PolarHBondContact NZ-OE1 3.37Å; K554-E574 IonicContact NZ-OE2 2.62Å
555S92.2Very high94.2Very high109 Ų10965.9 Ų65.976%0.76233%0.325SS*.G310 helixtrans-119.33.4-175.757.20000113.1E552 T553E552-S555 PolarHBondContact O-N 2.99Å; E552-S555 VanDerWaalsContact O-N 3.09Å; E552-S555 PolarHBondContact O-OG 3.4Å; T553-S555 PolarHBondContact O-N 3.31Å
556M93.8Very high93.6Very high37 Ų3767.1 Ų67.118%0.18233%0.33CS..PPolyproline II helixtrans-78.2147.6177.3-70.9180-17600111.4R510 E552 T553R510-M556 HydrophobicContact CB-CB 3.77Å; R510-M556 HydrophobicContact CB-SD 4.41Å; R510-M556 WeakPolarHBondContact CD-O 3.36Å; R510-M556 HydrophobicContact CG-CB 4Å; E552-M556 HydrophobicContact CB-CE 3.76Å; E552-M556 WeakPolarHBondContact O-CG 3.27Å; E552-M556 PolarHBondContact O-N 3.35Å; T553-M556 HydrophobicContact CG2-SD 4.14Å; T553-M556 PolarHBondContact O-N 3.33Å
557K91.8Very high92.9Very high142 Ų14270.3 Ų70.362%0.61735%0.352SS*.PPolyproline II helixtrans-80.9120.8164.5-179.8178.4178.9178.90108.6R559K557-R559 PolarHBondContact O-N 3.05Å
558A93.1Very high92.2Very high8 Ų871 Ų717%0.06636%0.363CS..PPolyproline II helixtrans-62.1127.6171.800000111.1D509 R510 A563 L571D509-A558 WeakPolarHBondContact O-CA 3.45Å; R510-A558 HydrophobicContact CB-CB 4.24Å; A558-A563 HydrophobicContact CB-CB 3.58Å; A558-A563 WeakPolarHBondContact CB-O 3.48Å; A558-L571 HydrophobicContact CB-CD1 3.75Å
559R93.8Very high91.4Very high142 Ų14270.9 Ų70.954%0.53637%0.369SS..  trans-120-8.6176.3-67.5-170.3-65.2-100.2-1113.3G508 D509 K557G508-R559 PolarHBondContact O-NH2 2.76Å; D509-R559 HydrophobicContact CB-CB 4.1Å; D509-R559 PolarHBondContact O-N 3.11Å; D509-R559 IonicContact OD1-CZ 3.78Å; D509-R559 IonicContact OD1-NE 2.79Å; D509-R559 PolarHBondContact OD1-NE 3.08Å; D509-R559 IonicContact OD1-NH2 2.68Å; D509-R559 PolarHBondContact OD1-NH2 3.2Å; K557-R559 PolarHBondContact O-N 3.05Å
560A92.3Very high90.7Very high17 Ų1772.9 Ų72.914%0.1439%0.386CS..SBendtrans-135.9164.6176.200000111A505 D509 T511A505-A560 HydrophobicContact CB-CB 3.87Å; D509-A560 HydrophobicContact CB-CB 4.24Å; T511-A560 HydrophobicContact CG2-CB 3.94Å
561G88.1Confident90.2Very high54 Ų5472.8 Ų72.856%0.55739%0.385SS*.SBendtrans67.4-174.318000000114.2A563 S564G561-A563 PolarHBondContact O-N 3.11Å; G561-S564 WeakPolarHBondContact O-CB 3.41Å; G561-S564 PolarHBondContact O-N 3.43Å; G561-S564 VanDerWaalsContact O-N 3.13Å; G561-S564 PolarHBondContact O-OG 2.69Å
562R87Confident89.9Confident135 Ų13573.8 Ų73.851%0.50939%0.394SS..G310 helixtrans-61.2-31.9-178.3-65.7-178.1-175.6-102.89112.8S415 D417 S564 Y565S415-R562 CarbonylContact O-C 3.49Å; S415-R562 VanDerWaalsContact O-C 3.31Å; D417-R562 VanDerWaalsContact CG-CZ 3.46Å; D417-R562 WeakPolarHBondContact OD1-CD 3.42Å; D417-R562 IonicContact OD1-CZ 3.51Å; D417-R562 IonicContact OD1-NE 3.88Å; D417-R562 PolarHBondContact OD1-NE 3.12Å; D417-R562 VanDerWaalsContact OD1-NE 3.15Å; D417-R562 IonicContact OD1-NH2 2.63Å; D417-R562 IonicContact OD2-CZ 3.63Å; D417-R562 IonicContact OD2-NE 3.83Å; D417-R562 PolarHBondContact OD2-NE 3.39Å; D417-R562 IonicContact OD2-NH1 2.83Å; D417-R562 IonicContact OD2-NH2 3.82Å; D417-R562 PolarHBondContact OD2-NH2 3.02Å; R562-S564 PolarHBondContact O-N 2.87Å; R562-S564 VanDerWaalsContact O-N 3.13Å; R562-Y565 WeakPolarHBondContact O-CD2 3.45Å; R562-Y565 PolarHBondContact O-N 3.34Å; R562-Y565 VanDerWaalsContact O-N 3.12Å
563A90.1Very high89.7Confident6 Ų673.8 Ų73.85%0.0539%0.393CS..G310 helixtrans-59.9-24.817800000112.7S415 A558 G561 Y565 V566 L571S415-A563 VanDerWaalsContact O-CA 3.23Å; S415-A563 WeakPolarHBondContact O-CA 3.47Å; S415-A563 PolarHBondContact O-N 3.46Å; S415-A563 VanDerWaalsContact O-N 3.08Å; A558-A563 HydrophobicContact CB-CB 3.58Å; A558-A563 WeakPolarHBondContact CB-O 3.48Å; G561-A563 PolarHBondContact O-N 3.11Å; A563-Y565 PolarHBondContact O-N 3.05Å; A563-V566 PolarHBondContact O-N 2.92Å; A563-L571 HydrophobicContact CB-CD1 4.46Å
564S91.7Very high89.7Confident48 Ų4875.5 Ų75.534%0.33640%0.401SS..G310 helixtrans-65.3-17.1177.969.50000114.4G561 R562G561-S564 WeakPolarHBondContact O-CB 3.41Å; G561-S564 PolarHBondContact O-N 3.43Å; G561-S564 VanDerWaalsContact O-N 3.13Å; G561-S564 PolarHBondContact O-OG 2.69Å; R562-S564 PolarHBondContact O-N 2.87Å; R562-S564 VanDerWaalsContact O-N 3.13Å
565Y87.7Confident89.8Confident207 Ų20772.4 Ų72.481%0.81239%0.388SS*.G310 helixtrans-85-12.3174-52.8-43.1000113.4R562 A563R562-Y565 WeakPolarHBondContact O-CD2 3.45Å; R562-Y565 PolarHBondContact O-N 3.34Å; R562-Y565 VanDerWaalsContact O-N 3.12Å; A563-Y565 PolarHBondContact O-N 3.05Å
566V85.8Confident90Very high47 Ų4767.6 Ų67.629%0.28535%0.354SS..SBendtrans-93.9138-175.5-177.20000109.4A563 A568 A570 L571A563-V566 PolarHBondContact O-N 2.92Å; V566-A568 PolarHBondContact O-N 3.27Å; V566-A570 HydrophobicContact CG1-CB 3.79Å; V566-L571 HydrophobicContact CB-CD1 4.4Å; V566-L571 HydrophobicContact CB-CD2 3.97Å; V566-L571 HydrophobicContact CB-CG 4.2Å; V566-L571 HydrophobicContact CG1-CD2 3.76Å; V566-L571 HydrophobicContact CG1-CG 3.95Å
567S84.5Confident90.2Very high67 Ų6766.5 Ų66.547%0.46935%0.352SS..  trans-58.7138.2175.856.60000110.7E569 A570S567-E569 WeakPolarHBondContact CB-OE2 3.45Å; S567-E569 PolarHBondContact O-N 3.13Å; S567-E569 VanDerWaalsContact O-N 3.11Å; S567-A570 WeakPolarHBondContact O-CB 3.35Å; S567-A570 PolarHBondContact O-N 3.02Å
568A82Confident90.4Very high49 Ų4959.8 Ų59.841%0.40532%0.323SS..G310 helixtrans-57.3-32-177.400000112.6V566 A570 L571V566-A568 PolarHBondContact O-N 3.27Å; A568-A570 PolarHBondContact O-N 3.45Å; A568-L571 PolarHBondContact O-N 2.83Å; A568-L571 VanDerWaalsContact O-N 3.16Å
569E82.6Confident90.7Very high157 Ų15762.1 Ų62.173%0.73433%0.331SS*.G310 helixtrans-65.4-23.4178.2-59.977.6-169.200113.4S567S567-E569 WeakPolarHBondContact CB-OE2 3.45Å; S567-E569 PolarHBondContact O-N 3.13Å; S567-E569 VanDerWaalsContact O-N 3.11Å
570A83.9Confident90.9Very high49 Ų4955.4 Ų55.441%0.40531%0.306SS..G310 helixtrans-87.3-20.7176.900000112.4V566 S567 A568 T572V566-A570 HydrophobicContact CG1-CB 3.79Å; S567-A570 WeakPolarHBondContact O-CB 3.35Å; S567-A570 PolarHBondContact O-N 3.02Å; A568-A570 PolarHBondContact O-N 3.45Å; A570-T572 PolarHBondContact O-N 3.5Å; A570-T572 VanDerWaalsContact O-N 3.13Å
571L87.6Confident91.2Very high5 Ų554.9 Ų54.93%0.02630%0.301CS..  trans-88.274.3-177.3-62.4178.5000111.2K554 A558 A563 V566 A568K554-L571 VanDerWaalsContact O-O 3.09Å; A558-L571 HydrophobicContact CB-CD1 3.75Å; A563-L571 HydrophobicContact CB-CD1 4.46Å; V566-L571 HydrophobicContact CB-CD1 4.4Å; V566-L571 HydrophobicContact CB-CD2 3.97Å; V566-L571 HydrophobicContact CB-CG 4.2Å; V566-L571 HydrophobicContact CG1-CD2 3.76Å; V566-L571 HydrophobicContact CG1-CG 3.95Å; A568-L571 PolarHBondContact O-N 2.83Å; A568-L571 VanDerWaalsContact O-N 3.16Å
572T90.8Very high91.7Very high100 Ų10052.5 Ų52.561%0.61328%0.276SS*.  trans-102.1-6.2-175.454.30000114.7A570A570-T572 PolarHBondContact O-N 3.5Å; A570-T572 VanDerWaalsContact O-N 3.13Å
573K94.6Very high92.2Very high93 Ų9347 Ų4740%0.40426%0.256SS..SBendtrans-107.9170.4-179.4-58.5-174.1-178178.80111.2L411 R510 K554L411-K573 HydrophobicContact CD2-CB 3.61Å; L411-K573 HydrophobicContact CD2-CD 3.89Å; L411-K573 HydrophobicContact CD2-CG 4.38Å; R510-K573 PolarHBondContact NH2-O 3.44Å; K554-K573 WeakPolarHBondContact CA-O 3.2Å
574E96.5Very high92.6Very high36 Ų3647.8 Ų47.817%0.16826%0.26CS..  trans-53.8149.4170.6-65.188162.300111.4L411 R510 V550 T553 K554 Y579L411-E574 HydrophobicContact CD1-CB 4.37Å; L411-E574 HydrophobicContact CD2-CB 4.41Å; R510-E574 PolarHBondContact NH2-O 2.9Å; V550-E574 HydrophobicContact CG1-CB 4.41Å; V550-E574 HydrophobicContact CG1-CG 4Å; T553-E574 WeakPolarHBondContact OG1-CA 3.47Å; K554-E574 WeakPolarHBondContact CE-OE1 3.38Å; K554-E574 WeakPolarHBondContact CE-OE2 3.11Å; K554-E574 HydrophobicContact CG-CG 4.19Å; K554-E574 IonicContact NZ-OE1 2.65Å; K554-E574 PolarHBondContact NZ-OE1 3.37Å; K554-E574 IonicContact NZ-OE2 2.62Å; E574-Y579 HydrophobicContact CG-CD2 4.28Å; E574-Y579 HydrophobicContact CB-CD2 4.38Å
575D96.8Very high92.9Very high13 Ų1346.1 Ų46.17%0.0725%0.247CC..  trans-66.9130.8165.3-179.8-103.1000110.2R510 T511 T553 G577 A578 Y579R510-D575 HydrophobicContact CG-CB 4Å; R510-D575 IonicContact NH1-OD2 3.02Å; R510-D575 PolarHBondContact NH1-OD2 2.97Å; T511-D575 WeakPolarHBondContact CA-OD1 3.35Å; T553-D575 HydrophobicContact CG2-CB 4.1Å; T553-D575 PolarHBondContact OG1-N 3.04Å; D575-G577 PolarHBondContact O-N 3.39Å; D575-G577 VanDerWaalsContact C-N 3.31Å; D575-G577 PolarHBondContact OD1-N 2.76Å; D575-G577 WeakPolarHBondContact OD1-CA 3.44Å; D575-A578 HydrophobicContact CB-CB 3.83Å; D575-A578 PolarHBondContact O-N 2.92Å; D575-A578 PolarHBondContact OD1-N 3.39Å; D575-Y579 WeakPolarHBondContact O-CB 3.32Å; D575-Y579 PolarHBondContact O-N 3.15Å
576P96.5Very high93.4Very high7 Ų741.5 Ų41.55%0.04523%0.228CC..Hα-helixtrans-60.9-38.3-17925-36.5000112.6L408 L411 D412 C420 Y579 A580L408-P576 VanDerWaalsContact CD2-O 3.32Å; L408-P576 WeakPolarHBondContact CD2-O 3.42Å; L411-P576 HydrophobicContact CB-CB 3.95Å; D412-P576 HydrophobicContact CB-CB 4.02Å; D412-P576 HydrophobicContact CB-CG 3.98Å; C420-P576 HydrophobicContact CB-CB 4.17Å; P576-Y579 PolarHBondContact O-N 3.3Å; P576-A580 WeakPolarHBondContact O-CB 3.4Å; P576-A580 PolarHBondContact O-N 3.43Å
577G96.3Very high93.9Very high15 Ų1539.5 Ų39.516%0.15522%0.216CC..Hα-helixtrans-68.4-42.5177.600000112.3L512 D575 A580 V581L512-G577 WeakPolarHBondContact CB-O 3.41Å; D575-G577 PolarHBondContact O-N 3.39Å; D575-G577 VanDerWaalsContact C-N 3.31Å; D575-G577 PolarHBondContact OD1-N 2.76Å; D575-G577 WeakPolarHBondContact OD1-CA 3.44Å; G577-A580 PolarHBondContact O-N 3.32Å; G577-V581 PolarHBondContact O-N 2.88Å
578A97.8Very high94.5Very high0 Ų039.2 Ų39.20%021%0.209CC..Hα-helixtrans-62.2-46.4173.600000111.6P515 V550 T553 D575 A580 V581 G582P515-A578 HydrophobicContact CG-CB 3.92Å; V550-A578 HydrophobicContact CG2-CB 4.34Å; V550-A578 WeakPolarHBondContact CG2-O 3.45Å; T553-A578 HydrophobicContact CG2-CB 3.71Å; D575-A578 HydrophobicContact CB-CB 3.83Å; D575-A578 PolarHBondContact O-N 2.92Å; D575-A578 PolarHBondContact OD1-N 3.39Å; A578-A580 VanDerWaalsContact C-N 3.32Å; A578-A580 PolarHBondContact O-N 3.49Å; A578-V581 PolarHBondContact O-N 3.38Å; A578-G582 PolarHBondContact O-N 2.89Å
579Y98.2Very high95.1Very high58 Ų5837 Ų3723%0.22719%0.19CC..Hα-helixtrans-59.4-43.7177.1-171.5-90.4000111.5N404 T407 L408 L411 V550 E574 D575 P576 V581 G582 I583N404-Y579 PolarHBondContact OD1-OH 2.9Å; T407-Y579 HydrophobicContact CG2-CE1 4.19Å; L408-Y579 HydrophobicContact CD2-CD1 3.82Å; L408-Y579 HydrophobicContact CG-CD1 4.43Å; L411-Y579 HydrophobicContact CD1-CD1 4.11Å; L411-Y579 HydrophobicContact CD1-CD2 4.23Å; L411-Y579 HydrophobicContact CD1-CG 3.81Å; V550-Y579 HydrophobicContact CG1-CD2 4.17Å; E574-Y579 HydrophobicContact CG-CD2 4.28Å; E574-Y579 HydrophobicContact CB-CD2 4.38Å; D575-Y579 WeakPolarHBondContact O-CB 3.32Å; D575-Y579 PolarHBondContact O-N 3.15Å; P576-Y579 PolarHBondContact O-N 3.3Å; Y579-V581 PolarHBondContact O-N 2.9Å; Y579-G582 VanDerWaalsContact O-N 3.12Å; Y579-G582 PolarHBondContact O-N 3.47Å; Y579-I583 HydrophobicContact CD1-CG2 4.23Å; Y579-I583 HydrophobicContact CE1-CG2 3.79Å; Y579-I583 PolarHBondContact O-N 3.42Å
580A98.1Very high95.7Very high1 Ų134.8 Ų34.81%0.00818%0.18CC..Hα-helixtrans-57.5-46.5174.400000112.3L408 L424 P576 G577 A578 G582 I583 I584L408-A580 HydrophobicContact CD2-CB 3.9Å; L424-A580 HydrophobicContact CD1-CB 3.58Å; P576-A580 WeakPolarHBondContact O-CB 3.4Å; P576-A580 PolarHBondContact O-N 3.43Å; G577-A580 PolarHBondContact O-N 3.32Å; A578-A580 VanDerWaalsContact C-N 3.32Å; A578-A580 PolarHBondContact O-N 3.49Å; A580-G582 VanDerWaalsContact C-N 3.32Å; A580-G582 PolarHBondContact O-N 2.87Å; A580-I583 WeakPolarHBondContact O-CG1 3.37Å; A580-I583 PolarHBondContact O-N 2.93Å; A580-I584 WeakPolarHBondContact O-CB 3.49Å; A580-I584 PolarHBondContact O-N 3.05Å; A580-I584 WeakPolarHBondContact O-CG1 3.49Å; A580-I584 WeakPolarHBondContact O-CD1 3.41Å
581V98.1Very high96.1Very high6 Ų634.3 Ų34.34%0.03617%0.17CC..Hα-helixtrans-62.1-40.7174.6167.40000111.5L512 P515 L516 G577 A578 Y579 I583 I584 L585L512-V581 HydrophobicContact CB-CG2 3.76Å; P515-V581 HydrophobicContact CB-CB 4.43Å; P515-V581 HydrophobicContact CB-CG1 3.88Å; P515-V581 HydrophobicContact CG-CB 3.75Å; P515-V581 HydrophobicContact CG-CG1 3.66Å; L516-V581 HydrophobicContact CD1-CG2 4.43Å; L516-V581 HydrophobicContact CD2-CG1 3.72Å; L516-V581 HydrophobicContact CD2-CG2 4.4Å; L516-V581 HydrophobicContact CG-CG1 3.82Å; L516-V581 HydrophobicContact CG-CG2 4.09Å; G577-V581 PolarHBondContact O-N 2.88Å; A578-V581 PolarHBondContact O-N 3.38Å; Y579-V581 PolarHBondContact O-N 2.9Å; V581-I583 PolarHBondContact O-N 3Å; V581-I584 PolarHBondContact O-N 3.12Å; V581-L585 PolarHBondContact O-N 2.83Å; V581-L585 WeakPolarHBondContact O-CG 3.04Å; V581-L585 WeakPolarHBondContact O-CB 3.26Å; V581-L585 HydrophobicContact CG1-CD1 3.56Å; V581-L585 HydrophobicContact CG1-CG 3.97Å
582G98.4Very high96Very high4 Ų437.6 Ų37.64%0.04119%0.187CC..Hα-helixtrans-58-46.2177.700000113.1A578 Y579 A580 R586A578-G582 PolarHBondContact O-N 2.89Å; Y579-G582 VanDerWaalsContact O-N 3.12Å; Y579-G582 PolarHBondContact O-N 3.47Å; A580-G582 VanDerWaalsContact C-N 3.32Å; A580-G582 PolarHBondContact O-N 2.87Å; G582-R586 WeakPolarHBondContact O-CB 3.31Å; G582-R586 PolarHBondContact O-N 3.46Å; G582-R586 VanDerWaalsContact O-N 3.08Å
583I98.2Very high94.9Very high18 Ų1839.4 Ų39.49%0.09219%0.188CC..Hα-helixtrans-68.8-36.317762.6173.6000112.1N404 L408 Y579 A580 V581 A587N404-I583 HydrophobicContact CB-CD1 3.85Å; L408-I583 HydrophobicContact CD1-CD1 4.27Å; Y579-I583 HydrophobicContact CD1-CG2 4.23Å; Y579-I583 HydrophobicContact CE1-CG2 3.79Å; Y579-I583 PolarHBondContact O-N 3.42Å; A580-I583 WeakPolarHBondContact O-CG1 3.37Å; A580-I583 PolarHBondContact O-N 2.93Å; V581-I583 PolarHBondContact O-N 3Å; I583-A587 WeakPolarHBondContact O-CB 3.32Å; I583-A587 PolarHBondContact O-N 3.32Å
584I98.2Very high94.9Very high23 Ų2336.7 Ų36.712%0.11818%0.178CC..Hα-helixtrans-65-50.8177.3-69.9166.9000110.3V397 I401 Y468 A580 V581 R586 A587 I588V397-I584 HydrophobicContact CG1-CG1 4.09Å; V397-I584 HydrophobicContact CG1-CG2 4.21Å; V397-I584 HydrophobicContact CG2-CG2 4.16Å; I401-I584 HydrophobicContact CD1-CD1 4.13Å; I401-I584 HydrophobicContact CD1-CG1 4.13Å; I401-I584 HydrophobicContact CG1-CG1 4.26Å; Y468-I584 HydrophobicContact CE1-CD1 3.75Å; Y468-I584 WeakPolarHBondContact OH-CD1 3.48Å; A580-I584 WeakPolarHBondContact O-CB 3.49Å; A580-I584 PolarHBondContact O-N 3.05Å; A580-I584 WeakPolarHBondContact O-CG1 3.49Å; A580-I584 WeakPolarHBondContact O-CD1 3.41Å; V581-I584 PolarHBondContact O-N 3.12Å; I584-R586 VanDerWaalsContact C-N 3.29Å; I584-R586 PolarHBondContact O-N 3.42Å; I584-A587 PolarHBondContact O-N 3.44Å; I584-I588 HydrophobicContact CG2-CD1 3.81Å; I584-I588 PolarHBondContact O-N 3.22Å; I584-I588 WeakPolarHBondContact O-CG1 3.43Å
585L98.1Very high94.8Very high13 Ų1336.7 Ų36.77%0.06818%0.178CC..Hα-helixtrans-61.7-39.5180-70.7173.9000111.5F519 L543 A546 V581 I588 V589F519-L585 HydrophobicContact CB-CD1 4.01Å; F519-L585 HydrophobicContact CD1-CD2 4.14Å; F519-L585 HydrophobicContact CD2-CD1 3.82Å; F519-L585 HydrophobicContact CD2-CD2 4.17Å; F519-L585 HydrophobicContact CD2-CG 4.46Å; F519-L585 HydrophobicContact CE1-CD2 4.11Å; F519-L585 HydrophobicContact CE2-CD1 4.48Å; F519-L585 HydrophobicContact CE2-CD2 4.17Å; F519-L585 HydrophobicContact CG-CD1 3.93Å; F519-L585 HydrophobicContact CG-CD2 4.17Å; F519-L585 HydrophobicContact CZ-CD2 4.14Å; L543-L585 HydrophobicContact CD1-CB 3.98Å; A546-L585 HydrophobicContact CB-CD1 3.67Å; V581-L585 PolarHBondContact O-N 2.83Å; V581-L585 WeakPolarHBondContact O-CG 3.04Å; V581-L585 WeakPolarHBondContact O-CB 3.26Å; V581-L585 HydrophobicContact CG1-CD1 3.56Å; V581-L585 HydrophobicContact CG1-CG 3.97Å; L585-I588 PolarHBondContact O-N 3.46Å; L585-V589 WeakPolarHBondContact O-CG2 3.32Å; L585-V589 PolarHBondContact O-N 2.89Å
586R97.9Very high94.7Very high111 Ų11138.1 Ų38.142%0.41918%0.184SC..Hα-helixtrans-59.9-52.5175.2-176.4-177.9-54.2-135.7-0.3111.5L543 N547 G582 I584 I588 V589 E590L543-R586 HydrophobicContact CD1-CB 4.06Å; L543-R586 HydrophobicContact CD2-CB 4.42Å; L543-R586 HydrophobicContact CD2-CG 4.39Å; N547-R586 PolarHBondContact OD1-NH2 3.34Å; G582-R586 WeakPolarHBondContact O-CB 3.31Å; G582-R586 PolarHBondContact O-N 3.46Å; G582-R586 VanDerWaalsContact O-N 3.08Å; I584-R586 VanDerWaalsContact C-N 3.29Å; I584-R586 PolarHBondContact O-N 3.42Å; R586-I588 PolarHBondContact O-N 3Å; R586-V589 PolarHBondContact O-N 3.42Å; R586-E590 WeakPolarHBondContact CD-OE1 3.3Å; R586-E590 PolarHBondContact O-N 3.06Å; R586-E590 WeakPolarHBondContact O-CG 3.48Å; R586-E590 WeakPolarHBondContact O-CB 3.32Å; R586-E590 WeakPolarHBondContact CG-OE1 3.21Å; R586-E590 HydrophobicContact CG-CG 4.25Å
587A97.5Very high94.6Very high4 Ų439.9 Ų39.93%0.03319%0.192CC..Hα-helixtrans-58.6-37178.800000112.3V397 A400 I583 I584 N591V397-A587 HydrophobicContact CB-CB 4.5Å; V397-A587 HydrophobicContact CG2-CB 3.8Å; A400-A587 HydrophobicContact CB-CB 4.19Å; I583-A587 WeakPolarHBondContact O-CB 3.32Å; I583-A587 PolarHBondContact O-N 3.32Å; I584-A587 PolarHBondContact O-N 3.44Å; A587-N591 PolarHBondContact O-ND2 2.91Å
588I96.3Very high94.5Very high61 Ų6141.4 Ų41.431%0.31320%0.195SC..Hα-helixtrans-67-54.2175.6-67.3166.7000110.9V397 I584 L585 R586 E590 N591 I592V397-I588 HydrophobicContact CG2-CD1 4.25Å; V397-I588 HydrophobicContact CG2-CG1 3.63Å; I584-I588 HydrophobicContact CG2-CD1 3.81Å; I584-I588 PolarHBondContact O-N 3.22Å; I584-I588 WeakPolarHBondContact O-CG1 3.43Å; L585-I588 PolarHBondContact O-N 3.46Å; R586-I588 PolarHBondContact O-N 3Å; I588-E590 PolarHBondContact O-N 2.81Å; I588-N591 PolarHBondContact O-N 2.88Å; I588-I592 HydrophobicContact CG2-CD1 3.91Å; I588-I592 WeakPolarHBondContact O-CG1 3.38Å; I588-I592 PolarHBondContact O-N 3.06Å
589V95.7Very high94.3Very high2 Ų244.2 Ų44.21%0.01221%0.208CC..Hα-helixtrans-62.2-42.5-174.9170.50000111.4F519 L539 L543 L585 R586 N591 I592 H593F519-V589 HydrophobicContact CE2-CG2 4.26Å; F519-V589 HydrophobicContact CZ-CG2 4.32Å; L539-V589 HydrophobicContact CB-CG1 4.14Å; L539-V589 HydrophobicContact CB-CG2 4.37Å; L543-V589 HydrophobicContact CB-CG2 4.36Å; L543-V589 HydrophobicContact CD2-CB 4.04Å; L543-V589 HydrophobicContact CD2-CG1 4.02Å; L585-V589 WeakPolarHBondContact O-CG2 3.32Å; L585-V589 PolarHBondContact O-N 2.89Å; R586-V589 PolarHBondContact O-N 3.42Å; V589-N591 PolarHBondContact O-N 3.37Å; V589-N591 VanDerWaalsContact O-N 3.11Å; V589-I592 PolarHBondContact O-N 3.02Å; V589-I592 VanDerWaalsContact O-N 3.08Å; V589-H593 PolarHBondContact O-CD2 3.26Å; V589-H593 PolarHBondContact O-NE2 3.21Å
590E94.5Very high94Very high111 Ų11143.2 Ų43.252%0.51921%0.206SC..Hα-helixtrans-60-22.9178.9-74.1174.9177.400113.7R586 I588R586-E590 WeakPolarHBondContact CD-OE1 3.3Å; R586-E590 PolarHBondContact O-N 3.06Å; R586-E590 WeakPolarHBondContact O-CG 3.48Å; R586-E590 WeakPolarHBondContact O-CB 3.32Å; R586-E590 WeakPolarHBondContact CG-OE1 3.21Å; R586-E590 HydrophobicContact CG-CG 4.25Å; I588-E590 PolarHBondContact O-N 2.81Å
591N91.8Very high93.7Very high39 Ų3946.5 Ų46.521%0.20922%0.221CC..THydrogen-bonded Turntrans-97.8-5.1178.9-76-83.4000114.5K392 A393 S396 A587 I588 V589 H593K392-N591 HydrophobicContact CB-CB 4.22Å; K392-N591 WeakPolarHBondContact CB-OD1 3.49Å; A393-N591 HydrophobicContact CB-CB 4.21Å; S396-N591 WeakPolarHBondContact CB-ND2 3.41Å; S396-N591 PolarHBondContact OG-ND2 3.4Å; S396-N591 VanDerWaalsContact OG-ND2 3.11Å; A587-N591 PolarHBondContact O-ND2 2.91Å; I588-N591 PolarHBondContact O-N 2.88Å; V589-N591 PolarHBondContact O-N 3.37Å; V589-N591 VanDerWaalsContact O-N 3.11Å; N591-H593 VanDerWaalsContact C-N 3.3Å
592I85.5Confident93.3Very high75 Ų7549.8 Ų49.839%0.38524%0.237SC..THydrogen-bonded Turntrans-81.1-15.7175.2-67.1168.8000111.3V389 L539 I588 V589V389-I592 HydrophobicContact CG1-CG1 4Å; L539-I592 HydrophobicContact CD1-CB 4.35Å; L539-I592 HydrophobicContact CD1-CD1 3.99Å; L539-I592 HydrophobicContact CD1-CG2 3.71Å; I588-I592 HydrophobicContact CG2-CD1 3.91Å; I588-I592 WeakPolarHBondContact O-CG1 3.38Å; I588-I592 PolarHBondContact O-N 3.06Å; V589-I592 PolarHBondContact O-N 3.02Å; V589-I592 VanDerWaalsContact O-N 3.08Å
593H67.5Low92.8Very high137 Ų13754 Ų5463%0.63426%0.255SS*.  trans-72.10-179.8-63.3-80.2000114.4E536 V589 N591E536-H593 WeakPolarHBondContact CG-CE1 3.41Å; E536-H593 WeakPolarHBondContact CG-ND1 3.4Å; E536-H593 IonicContact OE1-CE1 3.76Å; E536-H593 PolarHBondContact OE1-CE1 3.42Å; E536-H593 IonicContact OE1-ND1 2.71Å; E536-H593 PolarHBondContact OE1-ND1 3.07Å; V589-H593 PolarHBondContact O-CD2 3.26Å; V589-H593 PolarHBondContact O-NE2 3.21Å; N591-H593 VanDerWaalsContact C-N 3.3Å

Retrieved 593 of 593 residues in 227.4 ms (Link to these results)

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