A0A087XFN2_POEFO Loading...

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AlphaFold DB , UniProt , Accession A0A087XFN2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 613 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
1M51.8Low83.2Confident241 Ų24180.6 Ų80.6100%1.18741%0.406SS*.  0143.40-69.1-173.2-79.900107.6
2A63.3Low83.8Confident72 Ų7282.9 Ų82.960%0.59543%0.427SS*.  trans-71.5127.8175.100000109.1T29A2-T29 HydrophobicContact CB-CG2 3.76Å
3L84.8Confident84.1Confident81 Ų8178.5 Ų78.542%0.42441%0.41SS..EExtended strand (participates in β ladder)trans-78127.8-175.2-169.573.3000109.6T29 V30 K33 F59L3-T29 WeakPolarHBondContact O-CA 3.26Å; L3-V30 PolarHBondContact O-N 3.32Å; L3-K33 HydrophobicContact CD2-CD 4.49Å; L3-F59 HydrophobicContact CD2-CD1 3.68Å; L3-F59 HydrophobicContact CD2-CE1 3.53Å; L3-F59 HydrophobicContact CG-CD1 4Å; L3-F59 HydrophobicContact CG-CE1 4.18Å
4K89.1Confident83.9Confident117 Ų11781.8 Ų81.851%0.50942%0.423SS..EExtended strand (participates in β ladder)trans-112.3142.6-178.2-65.5-174.3177.8-174.10111.4T27 I28 K60K4-T27 HydrophobicContact CB-CG2 4.12Å; K4-T27 HydrophobicContact CD-CG2 4.1Å; K4-T27 HydrophobicContact CG-CG2 4.49Å; K4-I28 WeakPolarHBondContact CA-O 3.32Å; K4-K60 PolarHBondContact O-N 3.41Å
5A89.6Confident82.9Confident0 Ų085.6 Ų85.60%046%0.455CS..EExtended strand (participates in β ladder)trans-127.4152.4172.100000109.9T27 I28 V30 I57 E58 F59A5-T27 CarbonylContact O-C 3.5Å; A5-T27 WeakPolarHBondContact O-CA 3.47Å; A5-I28 HydrophobicContact CB-CG1 4.27Å; A5-I28 PolarHBondContact N-O 3.3Å; A5-I28 PolarHBondContact O-N 3.22Å; A5-V30 HydrophobicContact CB-CG2 4.24Å; A5-I57 HydrophobicContact CB-CB 4.02Å; A5-I57 HydrophobicContact CB-CD1 3.5Å; A5-I57 HydrophobicContact CB-CG1 4.37Å; A5-E58 CarbonylContact C-O 3.6Å; A5-E58 WeakPolarHBondContact CA-O 3.42Å; A5-E58 WeakPolarHBondContact CB-O 3.28Å; A5-F59 HydrophobicContact CB-CD1 4.1Å; A5-F59 HydrophobicContact CB-CE1 4.17Å
6Q92.3Very high82.1Confident61 Ų6185.2 Ų85.229%0.28548%0.477SS..EExtended strand (participates in β ladder)trans-102131.6171.4176169.2-18.500109.1E26 I57 E58Q6-E26 WeakPolarHBondContact CA-O 3.3Å; Q6-I57 CarbonylContact O-C 3.59Å; Q6-I57 WeakPolarHBondContact O-CA 3.23Å; Q6-E58 PolarHBondContact N-O 2.94Å; Q6-E58 PolarHBondContact O-N 3.33Å
7V91.8Very high81.9Confident1 Ų185 Ų851%0.00648%0.475CS..EExtended strand (participates in β ladder)trans-73.7129.9178176.70000109.2Y9 V22 K23 G25 E26 I28 Y56 I57V7-Y9 WeakPolarHBondContact CG1-O 3.34Å; V7-V22 HydrophobicContact CG1-CB 4.13Å; V7-V22 HydrophobicContact CG1-CG2 3.74Å; V7-V22 HydrophobicContact CG2-CB 3.86Å; V7-V22 HydrophobicContact CG2-CG1 4.31Å; V7-V22 HydrophobicContact CG2-CG2 4Å; V7-K23 VanDerWaalsContact CB-O 3.27Å; V7-K23 WeakPolarHBondContact CB-O 3.43Å; V7-K23 WeakPolarHBondContact CG1-O 3.32Å; V7-G25 PolarHBondContact O-N 3.46Å; V7-E26 HydrophobicContact CB-CB 4.41Å; V7-E26 HydrophobicContact CG2-CB 4.25Å; V7-E26 WeakPolarHBondContact CG2-O 3.4Å; V7-E26 PolarHBondContact N-O 2.94Å; V7-I28 HydrophobicContact CG2-CD1 4.12Å; V7-I28 HydrophobicContact CG2-CG1 4.39Å; V7-I28 HydrophobicContact CG2-CG2 3.75Å; V7-Y56 WeakPolarHBondContact CA-O 3.49Å; V7-I57 HydrophobicContact CG2-CG2 4.05Å
8L87.7Confident82Confident57 Ų5786.3 Ų86.330%0.29848%0.481SS..  trans-92.4-24.7-177.1-63.8-179.5000113.2E24 Y56 E58L8-E24 WeakPolarHBondContact O-CG 3.38Å; L8-Y56 PolarHBondContact N-O 3.13Å; L8-E58 HydrophobicContact CD1-CB 4.2Å; L8-E58 HydrophobicContact CD2-CB 3.91Å; L8-E58 HydrophobicContact CG-CB 4.15Å
9Y85.1Confident82.5Confident131 Ų13183.7 Ų83.751%0.51447%0.465SS..SBendtrans-145.8148.9-177.1-51.9-69000110.7V7 F11 Y56V7-Y9 WeakPolarHBondContact CG1-O 3.34Å; Y9-F11 PolarHBondContact O-N 3.33Å; Y9-Y56 HydrophobicContact CD2-CD1 4.36Å; Y9-Y56 HydrophobicContact CD2-CG 4.32Å
10D89.4Confident82.9Confident97 Ų9779.8 Ų79.852%0.51944%0.442SS..  trans-58.6131.2169.5-81.93.9000110.7K23 E24D10-K23 WeakPolarHBondContact OD1-CA 3.41Å; D10-K23 WeakPolarHBondContact OD1-CB 3.3Å; D10-E24 PolarHBondContact OD1-N 3.17Å
11F90.4Very high83.3Confident29 Ų2978.1 Ų78.113%0.12744%0.435CS..BIsolated β-bridgetrans-133.7127.3173.9174.8-107.8000109.1Y9 E19 L20 T21 V22 W39 P53 Y56Y9-F11 PolarHBondContact O-N 3.33Å; F11-E19 HydrophobicContact CE1-CB 4.08Å; F11-E19 HydrophobicContact CE1-CG 4.42Å; F11-E19 HydrophobicContact CZ-CB 4.2Å; F11-E19 HydrophobicContact CZ-CG 4.12Å; F11-L20 WeakPolarHBondContact CD1-O 3.44Å; F11-T21 CarbonylContact O-C 3.55Å; F11-T21 VanDerWaalsContact O-CA 3.29Å; F11-T21 WeakPolarHBondContact O-CA 3.46Å; F11-V22 HydrophobicContact CB-CG2 3.83Å; F11-V22 HydrophobicContact CD1-CG2 4.38Å; F11-V22 PolarHBondContact N-O 3.12Å; F11-V22 PolarHBondContact O-N 2.93Å; F11-W39 HydrophobicContact CE1-CZ3 4.22Å; F11-W39 HydrophobicContact CE2-CH2 4.32Å; F11-W39 HydrophobicContact CE2-CZ3 4.48Å; F11-W39 AromaticContact CZ-CH2 3.86Å; F11-W39 HydrophobicContact CZ-CH2 3.86Å; F11-W39 AromaticContact CZ-CZ3 3.75Å; F11-W39 HydrophobicContact CZ-CZ3 3.75Å; F11-P53 HydrophobicContact CD2-CG 4.21Å; F11-P53 HydrophobicContact CE2-CG 4.1Å; F11-P53 HydrophobicContact CZ-CG 4.4Å; F11-Y56 HydrophobicContact CB-CD1 3.8Å; F11-Y56 HydrophobicContact CB-CE1 4Å; F11-Y56 HydrophobicContact CD2-CE1 4.31Å; F11-Y56 HydrophobicContact CG-CD1 4.47Å
12T90.7Very high85.2Confident108 Ų10866.7 Ų66.766%0.66338%0.379SS*.  trans-112.3123.7-178.4-58.70000109
13A86.8Confident86.5Confident25 Ų2569.4 Ų69.421%0.20738%0.377CS..  trans-68.8135.1-178.100000112.6E19 T21A13-E19 VanDerWaalsContact CB-C 3.46Å; A13-E19 HydrophobicContact CB-CB 3.54Å; A13-E19 VanDerWaalsContact CB-O 3.27Å; A13-E19 WeakPolarHBondContact CB-O 3.3Å; A13-T21 WeakPolarHBondContact CB-OG1 3.35Å; A13-T21 PolarHBondContact N-OG1 3.47Å
14E81.3Confident86.8Confident125 Ų12572 Ų7258%0.58439%0.387SS*.  trans-75.3137.2169.7-69-163.9159.900112G16 N17 E19E14-G16 PolarHBondContact O-N 3.05Å; E14-N17 PolarHBondContact O-N 3.04Å; E14-N17 PolarHBondContact OE2-ND2 3Å; E14-N17 VanDerWaalsContact OE2-ND2 3.14Å; E14-E19 PolarHBondContact N-OE2 3.46Å
15P69.4Low86.6Confident139 Ų13968.2 Ų68.290%0.90338%0.381SS*.THydrogen-bonded Turntrans-62.1107.3178.8-23.434.2000112.9
16G70.1Confident86.6Confident79 Ų7969.3 Ų69.381%0.81439%0.386SS*.THydrogen-bonded Turntrans118-13.6173.100000115.4E14E14-G16 PolarHBondContact O-N 3.05Å
17N77.9Confident86.6Confident82 Ų8269.2 Ų69.244%0.43939%0.39SS..SBendtrans-92.16.3-172-66.9-9.8000115.1E14 E19E14-N17 PolarHBondContact O-N 3.04Å; E14-N17 PolarHBondContact OE2-ND2 3Å; E14-N17 VanDerWaalsContact OE2-ND2 3.14Å; N17-E19 HydrophobicContact CB-CG 3.93Å; N17-E19 VanDerWaalsContact CB-OE1 3.23Å; N17-E19 WeakPolarHBondContact CB-OE1 3.43Å; N17-E19 PolarHBondContact ND2-OE1 3.35Å; N17-E19 PolarHBondContact O-N 3.13Å
18N83.8Confident86.7Confident108 Ų10869.2 Ų69.258%0.57839%0.39SS*.  trans58.926.3-175-162.759.5000114.1G50 L51N18-G50 CarbonylContact O-C 3.57Å; N18-G50 VanDerWaalsContact O-CA 3.3Å; N18-G50 WeakPolarHBondContact O-CA 3.43Å; N18-L51 PolarHBondContact O-N 3.25Å
19E92Very high86.9Confident38 Ų3868.4 Ų68.418%0.17839%0.388CS..BIsolated β-bridgetrans-80.9158.4175.9-70.9165.8-158.700111.8F11 A13 E14 N17 W39 L51F11-E19 HydrophobicContact CE1-CB 4.08Å; F11-E19 HydrophobicContact CE1-CG 4.42Å; F11-E19 HydrophobicContact CZ-CB 4.2Å; F11-E19 HydrophobicContact CZ-CG 4.12Å; A13-E19 VanDerWaalsContact CB-C 3.46Å; A13-E19 HydrophobicContact CB-CB 3.54Å; A13-E19 VanDerWaalsContact CB-O 3.27Å; A13-E19 WeakPolarHBondContact CB-O 3.3Å; E14-E19 PolarHBondContact N-OE2 3.46Å; N17-E19 HydrophobicContact CB-CG 3.93Å; N17-E19 VanDerWaalsContact CB-OE1 3.23Å; N17-E19 WeakPolarHBondContact CB-OE1 3.43Å; N17-E19 PolarHBondContact ND2-OE1 3.35Å; N17-E19 PolarHBondContact O-N 3.13Å; E19-W39 HydrophobicContact CG-CH2 4.36Å; E19-W39 HydrophobicContact CG-CZ3 4.25Å; E19-L51 WeakPolarHBondContact CA-O 3.44Å
20L90.4Very high87.2Confident4 Ų463 Ų632%0.02137%0.368CS..  trans-117.4115-177-176.667.1000111.9F11 V22 A42 N44 E48 L51 V52F11-L20 WeakPolarHBondContact CD1-O 3.44Å; L20-V22 HydrophobicContact CD2-CG1 4.02Å; L20-V22 HydrophobicContact CG-CG1 3.98Å; L20-V22 PolarHBondContact O-N 3.3Å; L20-A42 HydrophobicContact CD2-CB 4.38Å; L20-A42 VanDerWaalsContact CD2-O 3.29Å; L20-A42 WeakPolarHBondContact CD2-O 3.29Å; L20-N44 HydrophobicContact CD1-CB 4.21Å; L20-N44 WeakPolarHBondContact CD1-ND2 3.42Å; L20-N44 HydrophobicContact CD2-CB 3.99Å; L20-N44 HydrophobicContact CG-CB 4.25Å; L20-E48 HydrophobicContact CD1-CB 3.65Å; L20-E48 WeakPolarHBondContact CD1-O 3.4Å; L20-L51 PolarHBondContact N-O 2.93Å; L20-V52 HydrophobicContact CB-CG2 3.81Å; L20-V52 HydrophobicContact CD2-CG2 3.87Å; L20-V52 HydrophobicContact CG-CG2 4.26Å
21T91.3Very high87.1Confident46 Ų4661.8 Ų61.828%0.28236%0.364SS..  trans-66.3120.2173.7-61.80000110.7F11 A13 N44 R46F11-T21 CarbonylContact O-C 3.55Å; F11-T21 VanDerWaalsContact O-CA 3.29Å; F11-T21 WeakPolarHBondContact O-CA 3.46Å; A13-T21 WeakPolarHBondContact CB-OG1 3.35Å; A13-T21 PolarHBondContact N-OG1 3.47Å; T21-N44 PolarHBondContact O-ND2 2.86Å; T21-R46 PolarHBondContact O-NH2 3.25Å
22V92.4Very high86.8Confident1 Ų163.5 Ų63.51%0.00638%0.375CS..BIsolated β-bridgetrans-132.8154.7180-66.20000110.8V7 F11 L20 I28 N44 V52V7-V22 HydrophobicContact CG1-CB 4.13Å; V7-V22 HydrophobicContact CG1-CG2 3.74Å; V7-V22 HydrophobicContact CG2-CB 3.86Å; V7-V22 HydrophobicContact CG2-CG1 4.31Å; V7-V22 HydrophobicContact CG2-CG2 4Å; F11-V22 HydrophobicContact CB-CG2 3.83Å; F11-V22 HydrophobicContact CD1-CG2 4.38Å; F11-V22 PolarHBondContact N-O 3.12Å; F11-V22 PolarHBondContact O-N 2.93Å; L20-V22 HydrophobicContact CD2-CG1 4.02Å; L20-V22 HydrophobicContact CG-CG1 3.98Å; L20-V22 PolarHBondContact O-N 3.3Å; V22-I28 HydrophobicContact CG1-CG2 3.95Å; V22-N44 HydrophobicContact CG1-CB 4.3Å; V22-V52 HydrophobicContact CG1-CG2 4Å; V22-V52 HydrophobicContact CG2-CG1 3.96Å; V22-V52 HydrophobicContact CG2-CG2 4.32Å
23K90.3Very high86.3Confident128 Ų12862.7 Ų62.756%0.55736%0.362SS*.  trans-115.6150.2178.2-66.8-164172.6-160.30113.5V7 D10 G25 E26V7-K23 VanDerWaalsContact CB-O 3.27Å; V7-K23 WeakPolarHBondContact CB-O 3.43Å; V7-K23 WeakPolarHBondContact CG1-O 3.32Å; D10-K23 WeakPolarHBondContact OD1-CA 3.41Å; D10-K23 WeakPolarHBondContact OD1-CB 3.3Å; K23-G25 PolarHBondContact O-N 3.04Å; K23-E26 PolarHBondContact N-OE2 3.23Å; K23-E26 WeakPolarHBondContact O-CB 3.35Å; K23-E26 PolarHBondContact O-N 2.58Å
24E91.3Very high85.7Confident136 Ų13666.9 Ų66.964%0.63639%0.39SS*.THydrogen-bonded Turntrans-50130.7172.2-178.3177.1162.600110.9L8 D10 E26L8-E24 WeakPolarHBondContact O-CG 3.38Å; D10-E24 PolarHBondContact OD1-N 3.17Å; E24-E26 VanDerWaalsContact C-N 3.29Å; E24-E26 PolarHBondContact O-N 3.03Å
25G83.5Confident85.4Confident38 Ų3864.2 Ų64.239%0.39238%0.379SS..THydrogen-bonded Turntrans82.4-11-175.200000115.7V7 K23V7-G25 PolarHBondContact O-N 3.46Å; K23-G25 PolarHBondContact O-N 3.04Å
26E90.6Very high84.8Confident22 Ų2259.7 Ų59.710%0.10336%0.357CS..  trans-63.7138.4175.9-172.3168.6-171.400110.8Q6 V7 K23 E24 I28 N44 S45 R46Q6-E26 WeakPolarHBondContact CA-O 3.3Å; V7-E26 HydrophobicContact CB-CB 4.41Å; V7-E26 HydrophobicContact CG2-CB 4.25Å; V7-E26 WeakPolarHBondContact CG2-O 3.4Å; V7-E26 PolarHBondContact N-O 2.94Å; K23-E26 PolarHBondContact N-OE2 3.23Å; K23-E26 WeakPolarHBondContact O-CB 3.35Å; K23-E26 PolarHBondContact O-N 2.58Å; E24-E26 VanDerWaalsContact C-N 3.29Å; E24-E26 PolarHBondContact O-N 3.03Å; E26-I28 HydrophobicContact CG-CG2 4.23Å; E26-N44 WeakPolarHBondContact OE1-CB 3.46Å; E26-S45 VanDerWaalsContact OE1-CB 3.22Å; E26-S45 WeakPolarHBondContact OE1-CB 3.41Å; E26-S45 PolarHBondContact OE1-N 3.41Å; E26-S45 PolarHBondContact OE1-OG 3.4Å; E26-R46 IonicContact OE1-NH1 2.71Å; E26-R46 IonicContact OE2-NH1 2.85Å
27T92.3Very high84.9Confident60 Ų6059.8 Ų59.837%0.36836%0.358SS..EExtended strand (participates in β ladder)trans-99.4116.5174-610000109.5K4 A5K4-T27 HydrophobicContact CB-CG2 4.12Å; K4-T27 HydrophobicContact CD-CG2 4.1Å; K4-T27 HydrophobicContact CG-CG2 4.49Å; A5-T27 CarbonylContact O-C 3.5Å; A5-T27 WeakPolarHBondContact O-CA 3.47Å
28I93.2Very high85.1Confident0 Ų057.7 Ų57.70%036%0.356CS..EExtended strand (participates in β ladder)trans-107.4156.1-179.270.5179.4000110.9K4 A5 V7 V22 E26 I40 A42 Q43 N44 V52 I57K4-I28 WeakPolarHBondContact CA-O 3.32Å; A5-I28 HydrophobicContact CB-CG1 4.27Å; A5-I28 PolarHBondContact N-O 3.3Å; A5-I28 PolarHBondContact O-N 3.22Å; V7-I28 HydrophobicContact CG2-CD1 4.12Å; V7-I28 HydrophobicContact CG2-CG1 4.39Å; V7-I28 HydrophobicContact CG2-CG2 3.75Å; V22-I28 HydrophobicContact CG1-CG2 3.95Å; E26-I28 HydrophobicContact CG-CG2 4.23Å; I28-I40 HydrophobicContact CD1-CD1 4.4Å; I28-A42 HydrophobicContact CB-CB 4.28Å; I28-A42 HydrophobicContact CD1-CB 3.56Å; I28-A42 HydrophobicContact CG1-CB 4.02Å; I28-Q43 WeakPolarHBondContact CA-O 3.5Å; I28-Q43 WeakPolarHBondContact CB-O 3.43Å; I28-N44 HydrophobicContact CG2-CB 4.29Å; I28-V52 HydrophobicContact CD1-CG2 4.32Å; I28-I57 HydrophobicContact CD1-CB 4.49Å; I28-I57 HydrophobicContact CD1-CG2 3.69Å
29T93.4Very high85.4Confident41 Ų4156.4 Ų56.425%0.25234%0.343SS..EExtended strand (participates in β ladder)trans-106.7117177.7-570000109.3A2 L3 T31 A42 Q43A2-T29 HydrophobicContact CB-CG2 3.76Å; L3-T29 WeakPolarHBondContact O-CA 3.26Å; T29-T31 PolarHBondContact O-N 3.12Å; T29-A42 CarbonylContact O-C 3.6Å; T29-A42 VanDerWaalsContact O-CA 3.31Å; T29-A42 WeakPolarHBondContact O-CA 3.48Å; T29-Q43 PolarHBondContact N-O 3.43Å; T29-Q43 PolarHBondContact O-N 3.41Å
30V90.9Very high85.3Confident16 Ų1654.6 Ų54.610%0.09734%0.335CS..EExtended strand (participates in β ladder)trans-78.2122.5-176.3179.30000110L3 A5 K33 I40 A42 F59L3-V30 PolarHBondContact O-N 3.32Å; A5-V30 HydrophobicContact CB-CG2 4.24Å; V30-K33 HydrophobicContact CG1-CG 3.87Å; V30-I40 HydrophobicContact CG1-CD1 4.29Å; V30-I40 HydrophobicContact CG2-CD1 3.68Å; V30-A42 HydrophobicContact CG2-CB 4.44Å; V30-F59 HydrophobicContact CB-CE1 4.45Å; V30-F59 HydrophobicContact CG2-CE1 3.79Å; V30-F59 HydrophobicContact CG2-CZ 4.33Å
31T87.2Confident85.3Confident72 Ų7257 Ų5744%0.44235%0.346SS..EExtended strand (participates in β ladder)trans-94.9-36.9-179.2500000111.5T29 E41 Q43T29-T31 PolarHBondContact O-N 3.12Å; T31-E41 WeakPolarHBondContact CB-OE2 3.43Å; T31-E41 PolarHBondContact N-O 2.94Å; T31-E41 WeakPolarHBondContact OG1-CG 3.22Å; T31-E41 PolarHBondContact OG1-O 3.48Å; T31-E41 VanDerWaalsContact OG1-O 3.12Å; T31-E41 PolarHBondContact OG1-OE2 3.31Å; T31-Q43 HydrophobicContact CG2-CB 4.46Å
32N83.6Confident85.4Confident65 Ų6554.9 Ų54.935%0.34833%0.332SS..EExtended strand (participates in β ladder)trans-146.8129.2176.9-168.3-2.3000112.3S34 I35 E41N32-S34 PolarHBondContact OD1-N 3.49Å; N32-I35 HydrophobicContact CB-CD1 4.14Å; N32-I35 WeakPolarHBondContact ND2-CD1 3.38Å; N32-E41 HydrophobicContact CB-CB 3.94Å; N32-E41 PolarHBondContact N-O 2.83Å; N32-E41 PolarHBondContact O-N 3.39Å
33K81.1Confident85.4Confident92 Ų9258.4 Ų58.440%0.435%0.349SS..EExtended strand (participates in β ladder)trans-95.8-18.2174.8-73.2-160.2174.2-148.80114.3L3 V30 I35 F59L3-K33 HydrophobicContact CD2-CD 4.49Å; V30-K33 HydrophobicContact CG1-CG 3.87Å; K33-I35 VanDerWaalsContact C-N 3.28Å; K33-I35 PolarHBondContact O-N 2.99Å; K33-F59 HydrophobicContact CD-CZ 4.36Å; K33-F59 VanDerWaalsContact NZ-CE1 3.29Å
34S74.6Confident85.5Confident112 Ų11252.7 Ų52.778%0.78332%0.324SS*.EExtended strand (participates in β ladder)trans-95.232.5-167.8-56.40000112.8N32N32-S34 PolarHBondContact OD1-N 3.49Å
35I75.1Confident85.1Confident70 Ų7050.6 Ų50.636%0.35933%0.325SS..EExtended strand (participates in β ladder)trans-73.2-35.8176-52.8-59000110.4N32 K33 W39 E41 L51N32-I35 HydrophobicContact CB-CD1 4.14Å; N32-I35 WeakPolarHBondContact ND2-CD1 3.38Å; K33-I35 VanDerWaalsContact C-N 3.28Å; K33-I35 PolarHBondContact O-N 2.99Å; I35-W39 HydrophobicContact CG2-CB 4.31Å; I35-E41 HydrophobicContact CD1-CB 4.24Å; I35-E41 HydrophobicContact CG1-CB 4.24Å; I35-L51 HydrophobicContact CG1-CD2 4.15Å; I35-L51 HydrophobicContact CG2-CD2 4.09Å
36G56.2Low85.2Confident44 Ų4454.7 Ų54.745%0.45433%0.328SS..EExtended strand (participates in β ladder)trans80.5174.7-177.600000112.9G38 W39G36-G38 VanDerWaalsContact C-N 3.25Å; G36-G38 PolarHBondContact O-N 3.2Å; G36-W39 PolarHBondContact O-N 3.22Å
37G72.4Confident84.9Confident81 Ų8155.5 Ų55.584%0.83534%0.343SS*.THydrogen-bonded Turntrans67.216.9176.400000116
38G82.2Confident84.7Confident37 Ų3757.1 Ų57.138%0.38135%0.346SS..THydrogen-bonded Turntrans84.117.7-179.800000114.9G36 E54G36-G38 VanDerWaalsContact C-N 3.25Å; G36-G38 PolarHBondContact O-N 3.2Å; G38-E54 PolarHBondContact O-N 3.01Å
39W88.8Confident84.6Confident82 Ų8260.5 Ų60.531%0.31137%0.366SS..EExtended strand (participates in β ladder)trans-115.9147.3177.8-65.888000111.9F11 E19 I35 G36 L51 V52 P53F11-W39 HydrophobicContact CE1-CZ3 4.22Å; F11-W39 HydrophobicContact CE2-CH2 4.32Å; F11-W39 HydrophobicContact CE2-CZ3 4.48Å; F11-W39 AromaticContact CZ-CH2 3.86Å; F11-W39 HydrophobicContact CZ-CH2 3.86Å; F11-W39 AromaticContact CZ-CZ3 3.75Å; F11-W39 HydrophobicContact CZ-CZ3 3.75Å; E19-W39 HydrophobicContact CG-CH2 4.36Å; E19-W39 HydrophobicContact CG-CZ3 4.25Å; I35-W39 HydrophobicContact CG2-CB 4.31Å; G36-W39 PolarHBondContact O-N 3.22Å; W39-L51 HydrophobicContact CE3-CB 3.79Å; W39-L51 HydrophobicContact CZ3-CB 4.29Å; W39-V52 VanDerWaalsContact CE3-C 3.49Å; W39-P53 HydrophobicContact CE3-CG 4.19Å; W39-P53 HydrophobicContact CH2-CG 4.03Å; W39-P53 HydrophobicContact CZ3-CG 3.76Å
40I90Very high84.5Confident0 Ų058.5 Ų58.50%035%0.354CS..EExtended strand (participates in β ladder)trans-123148.1169.959.8136.8000110.4I28 V30 A42 L51 V52 E54 I57I28-I40 HydrophobicContact CD1-CD1 4.4Å; V30-I40 HydrophobicContact CG1-CD1 4.29Å; V30-I40 HydrophobicContact CG2-CD1 3.68Å; I40-A42 HydrophobicContact CD1-CB 4.16Å; I40-L51 WeakPolarHBondContact O-CA 3.49Å; I40-V52 HydrophobicContact CG1-CB 4.41Å; I40-V52 WeakPolarHBondContact CG1-O 3.45Å; I40-V52 PolarHBondContact N-O 3.33Å; I40-V52 PolarHBondContact O-N 2.64Å; I40-E54 HydrophobicContact CG2-CB 4.14Å; I40-E54 HydrophobicContact CG2-CG 4.11Å; I40-I57 HydrophobicContact CD1-CD1 3.43Å; I40-I57 VanDerWaalsContact CD1-CD1 3.43Å; I40-I57 HydrophobicContact CD1-CG1 3.69Å; I40-I57 HydrophobicContact CG1-CD1 4.22Å; I40-I57 HydrophobicContact CG1-CG1 4.17Å
41E91.4Very high84.6Confident55 Ų5559.3 Ų59.326%0.25736%0.358SS..EExtended strand (participates in β ladder)trans-92.7130.3168.9-165-164.7-113.100109.2T31 N32 I35 V49 L51T31-E41 WeakPolarHBondContact CB-OE2 3.43Å; T31-E41 PolarHBondContact N-O 2.94Å; T31-E41 WeakPolarHBondContact OG1-CG 3.22Å; T31-E41 PolarHBondContact OG1-O 3.48Å; T31-E41 VanDerWaalsContact OG1-O 3.12Å; T31-E41 PolarHBondContact OG1-OE2 3.31Å; N32-E41 HydrophobicContact CB-CB 3.94Å; N32-E41 PolarHBondContact N-O 2.83Å; N32-E41 PolarHBondContact O-N 3.39Å; I35-E41 HydrophobicContact CD1-CB 4.24Å; I35-E41 HydrophobicContact CG1-CB 4.24Å; E41-V49 HydrophobicContact CG-CG1 3.96Å; E41-L51 HydrophobicContact CB-CD2 4.13Å; E41-L51 HydrophobicContact CG-CD2 4.48Å
42A92.6Very high84.7Confident0 Ų055.9 Ų55.90%034%0.337CS..EExtended strand (participates in β ladder)trans-142.5166-179.900000112.2L20 I28 T29 V30 I40 V49 G50L20-A42 HydrophobicContact CD2-CB 4.38Å; L20-A42 VanDerWaalsContact CD2-O 3.29Å; L20-A42 WeakPolarHBondContact CD2-O 3.29Å; I28-A42 HydrophobicContact CB-CB 4.28Å; I28-A42 HydrophobicContact CD1-CB 3.56Å; I28-A42 HydrophobicContact CG1-CB 4.02Å; T29-A42 CarbonylContact O-C 3.6Å; T29-A42 VanDerWaalsContact O-CA 3.31Å; T29-A42 WeakPolarHBondContact O-CA 3.48Å; V30-A42 HydrophobicContact CG2-CB 4.44Å; I40-A42 HydrophobicContact CD1-CB 4.16Å; A42-V49 VanDerWaalsContact O-CA 3.32Å; A42-V49 WeakPolarHBondContact O-CA 3.5Å; A42-G50 PolarHBondContact N-O 2.95Å; A42-G50 PolarHBondContact O-N 3.06Å; A42-G50 VanDerWaalsContact O-N 3.08Å
43Q93.5Very high85Confident76 Ų7653.7 Ų53.736%0.35533%0.326SS..EExtended strand (participates in β ladder)trans-112.2127.7170.7-167.4174.429.600110I28 T29 T31 G47 E48 V49I28-Q43 WeakPolarHBondContact CA-O 3.5Å; I28-Q43 WeakPolarHBondContact CB-O 3.43Å; T29-Q43 PolarHBondContact N-O 3.43Å; T29-Q43 PolarHBondContact O-N 3.41Å; T31-Q43 HydrophobicContact CG2-CB 4.46Å; Q43-G47 PolarHBondContact NE2-O 2.9Å; Q43-E48 CarbonylContact C-O 3.59Å; Q43-E48 VanDerWaalsContact CA-O 3.26Å; Q43-E48 WeakPolarHBondContact CA-O 3.1Å; Q43-E48 WeakPolarHBondContact CG-O 3.23Å; Q43-V49 HydrophobicContact CB-CG2 3.97Å; Q43-V49 HydrophobicContact CG-CG2 3.78Å
44N90.8Very high85.4Confident8 Ų853.4 Ų53.44%0.04333%0.326CS..  trans-84.8179.5179.67315.4000112.9L20 T21 V22 E26 I28 R46 G47 E48L20-N44 HydrophobicContact CD1-CB 4.21Å; L20-N44 WeakPolarHBondContact CD1-ND2 3.42Å; L20-N44 HydrophobicContact CD2-CB 3.99Å; L20-N44 HydrophobicContact CG-CB 4.25Å; T21-N44 PolarHBondContact O-ND2 2.86Å; V22-N44 HydrophobicContact CG1-CB 4.3Å; E26-N44 WeakPolarHBondContact OE1-CB 3.46Å; I28-N44 HydrophobicContact CG2-CB 4.29Å; N44-R46 PolarHBondContact ND2-NH2 3.5Å; N44-R46 PolarHBondContact O-N 2.97Å; N44-R46 WeakPolarHBondContact OD1-CA 3.28Å; N44-R46 WeakPolarHBondContact OD1-CB 3.41Å; N44-R46 PolarHBondContact OD1-N 2.88Å; N44-G47 PolarHBondContact O-N 2.94Å; N44-G47 PolarHBondContact OD1-N 3.4Å; N44-G47 VanDerWaalsContact OD1-N 3.16Å; N44-E48 PolarHBondContact N-O 3.37Å; N44-E48 PolarHBondContact ND2-OE2 3.02Å; N44-E48 PolarHBondContact OD1-N 2.87Å; N44-E48 VanDerWaalsContact OD1-N 3.1Å
45S83.8Confident86.1Confident92 Ų9254.7 Ų54.764%0.64332%0.324SS*.THydrogen-bonded Turntrans-65.4-18-179.364.60000114.2E26 G47E26-S45 VanDerWaalsContact OE1-CB 3.22Å; E26-S45 WeakPolarHBondContact OE1-CB 3.41Å; E26-S45 PolarHBondContact OE1-N 3.41Å; E26-S45 PolarHBondContact OE1-OG 3.4Å; S45-G47 VanDerWaalsContact C-N 3.35Å
46R85.6Confident86.7Confident124 Ų12455.4 Ų55.447%0.46832%0.323SS..THydrogen-bonded Turntrans-87.8-5.3176.9-55.3-177.6-63.8-80.99112.5T21 E26 N44 E48T21-R46 PolarHBondContact O-NH2 3.25Å; E26-R46 IonicContact OE1-NH1 2.71Å; E26-R46 IonicContact OE2-NH1 2.85Å; N44-R46 PolarHBondContact ND2-NH2 3.5Å; N44-R46 PolarHBondContact O-N 2.97Å; N44-R46 WeakPolarHBondContact OD1-CA 3.28Å; N44-R46 WeakPolarHBondContact OD1-CB 3.41Å; N44-R46 PolarHBondContact OD1-N 2.88Å; R46-E48 VanDerWaalsContact C-N 3.33Å; R46-E48 HydrophobicContact CB-CG 4.29Å; R46-E48 IonicContact CZ-OE2 2.73Å; R46-E48 IonicContact NE-OE1 2.59Å; R46-E48 IonicContact NE-OE2 3.31Å; R46-E48 PolarHBondContact NE-OE2 2.94Å; R46-E48 IonicContact NH2-OE2 3.24Å; R46-E48 PolarHBondContact NH2-OE2 3.45Å
47G84.4Confident88.3Confident39 Ų3953.7 Ų53.740%0.40230%0.304SS..SBendtrans84.82.4-178.400000114.4Q43 N44 S45Q43-G47 PolarHBondContact NE2-O 2.9Å; N44-G47 PolarHBondContact O-N 2.94Å; N44-G47 PolarHBondContact OD1-N 3.4Å; N44-G47 VanDerWaalsContact OD1-N 3.16Å; S45-G47 VanDerWaalsContact C-N 3.35Å
48E88.3Confident89.1Confident94 Ų9455.4 Ų55.444%0.43929%0.29SS..  trans-72.6141.4175.1-57.4162.6156.800109.3L20 Q43 N44 R46L20-E48 HydrophobicContact CD1-CB 3.65Å; L20-E48 WeakPolarHBondContact CD1-O 3.4Å; Q43-E48 CarbonylContact C-O 3.59Å; Q43-E48 VanDerWaalsContact CA-O 3.26Å; Q43-E48 WeakPolarHBondContact CA-O 3.1Å; Q43-E48 WeakPolarHBondContact CG-O 3.23Å; N44-E48 PolarHBondContact N-O 3.37Å; N44-E48 PolarHBondContact ND2-OE2 3.02Å; N44-E48 PolarHBondContact OD1-N 2.87Å; N44-E48 VanDerWaalsContact OD1-N 3.1Å; R46-E48 VanDerWaalsContact C-N 3.33Å; R46-E48 HydrophobicContact CB-CG 4.29Å; R46-E48 IonicContact CZ-OE2 2.73Å; R46-E48 IonicContact NE-OE1 2.59Å; R46-E48 IonicContact NE-OE2 3.31Å; R46-E48 PolarHBondContact NE-OE2 2.94Å; R46-E48 IonicContact NH2-OE2 3.24Å; R46-E48 PolarHBondContact NH2-OE2 3.45Å
49V90.8Very high89.3Confident70 Ų7055.9 Ų55.942%0.42428%0.281SS..EExtended strand (participates in β ladder)trans-116.2138.2179.1-179.30000109.2E41 A42 Q43E41-V49 HydrophobicContact CG-CG1 3.96Å; A42-V49 VanDerWaalsContact O-CA 3.32Å; A42-V49 WeakPolarHBondContact O-CA 3.5Å; Q43-V49 HydrophobicContact CB-CG2 3.97Å; Q43-V49 HydrophobicContact CG-CG2 3.78Å
50G90.8Very high88.6Confident0 Ų057.3 Ų57.30%029%0.29CS..EExtended strand (participates in β ladder)trans177.8-171.6175.200000112.2N18 A42N18-G50 CarbonylContact O-C 3.57Å; N18-G50 VanDerWaalsContact O-CA 3.3Å; N18-G50 WeakPolarHBondContact O-CA 3.43Å; A42-G50 PolarHBondContact N-O 2.95Å; A42-G50 PolarHBondContact O-N 3.06Å; A42-G50 VanDerWaalsContact O-N 3.08Å
51L92.5Very high86.7Confident33 Ų3364.3 Ų64.317%0.17333%0.327CS..EExtended strand (participates in β ladder)trans-85.9136.6-176.8-60178.2000112.4N18 E19 L20 I35 W39 I40 E41N18-L51 PolarHBondContact O-N 3.25Å; E19-L51 WeakPolarHBondContact CA-O 3.44Å; L20-L51 PolarHBondContact N-O 2.93Å; I35-L51 HydrophobicContact CG1-CD2 4.15Å; I35-L51 HydrophobicContact CG2-CD2 4.09Å; W39-L51 HydrophobicContact CE3-CB 3.79Å; W39-L51 HydrophobicContact CZ3-CB 4.29Å; I40-L51 WeakPolarHBondContact O-CA 3.49Å; E41-L51 HydrophobicContact CB-CD2 4.13Å; E41-L51 HydrophobicContact CG-CD2 4.48Å
52V90.7Very high84.2Confident0 Ų069.8 Ų69.80%035%0.353CS..EExtended strand (participates in β ladder)trans-129.2143.4171.9-174.80000107.9L20 V22 I28 W39 I40 I57L20-V52 HydrophobicContact CB-CG2 3.81Å; L20-V52 HydrophobicContact CD2-CG2 3.87Å; L20-V52 HydrophobicContact CG-CG2 4.26Å; V22-V52 HydrophobicContact CG1-CG2 4Å; V22-V52 HydrophobicContact CG2-CG1 3.96Å; V22-V52 HydrophobicContact CG2-CG2 4.32Å; I28-V52 HydrophobicContact CD1-CG2 4.32Å; W39-V52 VanDerWaalsContact CE3-C 3.49Å; I40-V52 HydrophobicContact CG1-CB 4.41Å; I40-V52 WeakPolarHBondContact CG1-O 3.45Å; I40-V52 PolarHBondContact N-O 3.33Å; I40-V52 PolarHBondContact O-N 2.64Å; V52-I57 HydrophobicContact CG1-CG2 3.74Å
53P89.9Confident81.2Confident19 Ų1979.2 Ų79.212%0.12339%0.394CS..EExtended strand (participates in β ladder)trans-61.2140.7173.8-21.833.1000111.7F11 W39 D55 Y56F11-P53 HydrophobicContact CD2-CG 4.21Å; F11-P53 HydrophobicContact CE2-CG 4.1Å; F11-P53 HydrophobicContact CZ-CG 4.4Å; W39-P53 HydrophobicContact CE3-CG 4.19Å; W39-P53 HydrophobicContact CH2-CG 4.03Å; W39-P53 HydrophobicContact CZ3-CG 3.76Å; P53-D55 VanDerWaalsContact C-N 3.3Å; P53-D55 PolarHBondContact O-N 2.98Å; P53-Y56 HydrophobicContact CB-CD2 3.66Å; P53-Y56 HydrophobicContact CB-CE2 4.32Å; P53-Y56 HydrophobicContact CB-CG 4.08Å; P53-Y56 HydrophobicContact CG-CD2 3.97Å; P53-Y56 HydrophobicContact CG-CE2 4.35Å; P53-Y56 HydrophobicContact CG-CG 4.16Å; P53-Y56 WeakPolarHBondContact O-CB 3.43Å; P53-Y56 PolarHBondContact O-N 2.91Å; P53-Y56 VanDerWaalsContact O-N 3.15Å
54E89.2Confident78.3Confident86 Ų8681.4 Ų81.440%0.40242%0.415SS..G310 helixtrans-64.8-34.8179.9-171.2167.9-159.700111.8G38 I40 Y56 I57G38-E54 PolarHBondContact O-N 3.01Å; I40-E54 HydrophobicContact CG2-CB 4.14Å; I40-E54 HydrophobicContact CG2-CG 4.11Å; E54-Y56 PolarHBondContact O-N 2.83Å; E54-I57 PolarHBondContact O-N 3.4Å
55D88.3Confident75.6Confident139 Ų13986.1 Ų86.174%0.74346%0.455SS*.G310 helixtrans-71.6-10177.3-64.4-33.5000113.6P53P53-D55 VanDerWaalsContact C-N 3.3Å; P53-D55 PolarHBondContact O-N 2.98Å
56Y89.1Confident73Confident84 Ų8486.8 Ų86.833%0.32947%0.466SS..G310 helixtrans-91.9-1.1179.9-84.5-124.8000112.8V7 L8 Y9 F11 P53 E54V7-Y56 WeakPolarHBondContact CA-O 3.49Å; L8-Y56 PolarHBondContact N-O 3.13Å; Y9-Y56 HydrophobicContact CD2-CD1 4.36Å; Y9-Y56 HydrophobicContact CD2-CG 4.32Å; F11-Y56 HydrophobicContact CB-CD1 3.8Å; F11-Y56 HydrophobicContact CB-CE1 4Å; F11-Y56 HydrophobicContact CD2-CE1 4.31Å; F11-Y56 HydrophobicContact CG-CD1 4.47Å; P53-Y56 HydrophobicContact CB-CD2 3.66Å; P53-Y56 HydrophobicContact CB-CE2 4.32Å; P53-Y56 HydrophobicContact CB-CG 4.08Å; P53-Y56 HydrophobicContact CG-CD2 3.97Å; P53-Y56 HydrophobicContact CG-CE2 4.35Å; P53-Y56 HydrophobicContact CG-CG 4.16Å; P53-Y56 WeakPolarHBondContact O-CB 3.43Å; P53-Y56 PolarHBondContact O-N 2.91Å; P53-Y56 VanDerWaalsContact O-N 3.15Å; E54-Y56 PolarHBondContact O-N 2.83Å
57I88.8Confident70.3Confident9 Ų985.9 Ų85.95%0.04648%0.479CS..EExtended strand (participates in β ladder)trans-139.1131.2-171.864.3106.8000112.2A5 Q6 V7 I28 I40 V52 E54 F59A5-I57 HydrophobicContact CB-CB 4.02Å; A5-I57 HydrophobicContact CB-CD1 3.5Å; A5-I57 HydrophobicContact CB-CG1 4.37Å; Q6-I57 CarbonylContact O-C 3.59Å; Q6-I57 WeakPolarHBondContact O-CA 3.23Å; V7-I57 HydrophobicContact CG2-CG2 4.05Å; I28-I57 HydrophobicContact CD1-CB 4.49Å; I28-I57 HydrophobicContact CD1-CG2 3.69Å; I40-I57 HydrophobicContact CD1-CD1 3.43Å; I40-I57 VanDerWaalsContact CD1-CD1 3.43Å; I40-I57 HydrophobicContact CD1-CG1 3.69Å; I40-I57 HydrophobicContact CG1-CD1 4.22Å; I40-I57 HydrophobicContact CG1-CG1 4.17Å; V52-I57 HydrophobicContact CG1-CG2 3.74Å; E54-I57 PolarHBondContact O-N 3.4Å; I57-F59 HydrophobicContact CD1-CD2 4.44Å; I57-F59 HydrophobicContact CD1-CE1 4.01Å; I57-F59 HydrophobicContact CD1-CE2 3.73Å; I57-F59 HydrophobicContact CD1-CZ 3.45Å; I57-F59 VanDerWaalsContact CD1-CZ 3.45Å
58E89.6Confident67.7Low116 Ų11690.6 Ų90.654%0.54250%0.5SS..EExtended strand (participates in β ladder)trans-103.1126.6176.9-174176.8-139.200110.9A5 Q6 L8 K60A5-E58 CarbonylContact C-O 3.6Å; A5-E58 WeakPolarHBondContact CA-O 3.42Å; A5-E58 WeakPolarHBondContact CB-O 3.28Å; Q6-E58 PolarHBondContact N-O 2.94Å; Q6-E58 PolarHBondContact O-N 3.33Å; L8-E58 HydrophobicContact CD1-CB 4.2Å; L8-E58 HydrophobicContact CD2-CB 3.91Å; L8-E58 HydrophobicContact CG-CB 4.15Å; E58-K60 PolarHBondContact O-N 3.5Å
59F86.3Confident64.8Low47 Ų4790.7 Ų90.721%0.20652%0.517CS..EExtended strand (participates in β ladder)trans-72121.4174-67.9-75.6000110.7L3 A5 V30 K33 I57 N61L3-F59 HydrophobicContact CD2-CD1 3.68Å; L3-F59 HydrophobicContact CD2-CE1 3.53Å; L3-F59 HydrophobicContact CG-CD1 4Å; L3-F59 HydrophobicContact CG-CE1 4.18Å; A5-F59 HydrophobicContact CB-CD1 4.1Å; A5-F59 HydrophobicContact CB-CE1 4.17Å; V30-F59 HydrophobicContact CB-CE1 4.45Å; V30-F59 HydrophobicContact CG2-CE1 3.79Å; V30-F59 HydrophobicContact CG2-CZ 4.33Å; K33-F59 HydrophobicContact CD-CZ 4.36Å; K33-F59 VanDerWaalsContact NZ-CE1 3.29Å; I57-F59 HydrophobicContact CD1-CD2 4.44Å; I57-F59 HydrophobicContact CD1-CE1 4.01Å; I57-F59 HydrophobicContact CD1-CE2 3.73Å; I57-F59 HydrophobicContact CD1-CZ 3.45Å; I57-F59 VanDerWaalsContact CD1-CZ 3.45Å; F59-N61 VanDerWaalsContact C-N 3.33Å; F59-N61 PolarHBondContact O-N 3.19Å
60K74Confident62.2Low113 Ų11393.2 Ų93.249%0.49154%0.535SS..  trans-72.587.5174.2-79.2-175.7170.9165.70110.9K4 E58 E62K4-K60 PolarHBondContact O-N 3.41Å; E58-K60 PolarHBondContact O-N 3.5Å; K60-E62 PolarHBondContact O-N 3.29Å
61N51.4Low59.3Low147 Ų14798.6 Ų98.679%0.78657%0.57SS**  trans-74.6107.1162.8-77.1-16.4000109F59 F63F59-N61 VanDerWaalsContact C-N 3.33Å; F59-N61 PolarHBondContact O-N 3.19Å; N61-F63 PolarHBondContact O-N 2.85Å
62E36.9Very low56.1Low169 Ų169102.5 Ų102.579%0.7960%0.599SS**  trans-72.6111.7163.5-67.8-176.1163.800108.8K60K60-E62 PolarHBondContact O-N 3.29Å
63F30.2Very low53.3Low198 Ų198110.7 Ų110.787%0.86864%0.643SS**SBendtrans166.5156.9137.6-82.1-53.1000110.7N61N61-F63 PolarHBondContact O-N 2.85Å
64P33.7Very low50.2Low123 Ų123114.6 Ų114.680%0.79968%0.677SS**  trans-95.7165.2-13836.6-38000116.4
65A33.5Very low47.1Very low107 Ų107114.1 Ų114.188%0.88470%0.695SS**  trans-67.8147.8-17100000115.9
66A29.1Very low44.4Very low105 Ų105116 Ų11687%0.86871%0.706SS**  trans-143.2131.8156.500000110.1
67S29.8Very low41.3Very low106 Ų106115.7 Ų115.774%0.74172%0.72SS**  trans-93.9146.6176.149.30000111.4
68T29Very low38.5Very low138 Ų138120.3 Ų120.385%0.84776%0.759SS**  163.2134.6128.637.20000113.8
69A27.6Very low35.6Very low95 Ų95124.6 Ų124.679%0.78577%0.772SS**  trans30.6150.7146.300000124.3
70P36.8Very low32.9Very low124 Ų124127.4 Ų127.481%0.80580%0.795SS**  trans-102160.3-173.640.2-35.9000116
71P29.9Very low30.7Very low113 Ų113128 Ų12873%0.73480%0.804SS**  trans-110.6125.2151.7172.7000110.6
72S23.8Very low29.8Very low114 Ų114128.3 Ų128.380%0.79781%0.805SS**  87.7124.76775.50000114.7
73N31.9Very low29.5Very low172 Ų172123.7 Ų123.792%0.9279%0.791SS**  trans-40.4144-178.9-76.81.4000117.2
74A24.9Very low29.9Very low101 Ų101120.2 Ų120.284%0.83579%0.786SS**  trans-150.7137.7151.900000112.2
75G23.9Very low30Very low76 Ų76122.1 Ų122.178%0.78478%0.782SS**  trans90.5102.4150.300000118.6A77G75-A77 PolarHBondContact O-N 2.62Å
76N31.7Very low30Very low180 Ų180124 Ų12496%0.96378%0.777SS**  trans-59.8128.2152.8-82.2-9.8000109.7
77A25.1Very low30.1Very low76 Ų76122.1 Ų122.163%0.62876%0.761SS**  trans-114.6120.8158.100000108G75 Y79G75-A77 PolarHBondContact O-N 2.62Å; A77-Y79 HydrophobicContact CB-CE2 4.37Å
78A30.3Very low30.4Very low106 Ų106126.9 Ų126.988%0.87677%0.769SS**  trans-72.9131.7175.800000109.8
79Y28.6Very low30.4Very low206 Ų206124 Ų12481%0.80876%0.76SS**  trans-109.3155.7171.2-86.8-87.4000109.9A77A77-Y79 HydrophobicContact CB-CE2 4.37Å
80P29.5Very low30.5Very low107 Ų107125.5 Ų125.570%0.69576%0.761SS**  trans-70.6147.2-164.628.2-34.9000112.7
81D28Very low30.1Very low125 Ų125126 Ų12667%0.66876%0.761SS**  trans-63.9130.2178-171.75.8000111.4S83D81-S83 WeakPolarHBondContact OD1-CB 3.35Å; D81-S83 PolarHBondContact OD1-N 3.21Å; D81-S83 PolarHBondContact OD1-OG 3.22Å; D81-S83 VanDerWaalsContact OD1-OG 3.11Å; D81-S83 PolarHBondContact OD2-OG 3.22Å
82L31.6Very low30Very low153 Ų153126 Ų12680%0.80176%0.764SS**  trans-103.114178.4-72.8173.8000112.5V84L82-V84 PolarHBondContact O-N 3Å
83S31.5Very low30Very low72 Ų72126.8 Ų126.850%0.50376%0.764SS.*G310 helixtrans-638.3-179.764.30000116.7D81 F85D81-S83 WeakPolarHBondContact OD1-CB 3.35Å; D81-S83 PolarHBondContact OD1-N 3.21Å; D81-S83 PolarHBondContact OD1-OG 3.22Å; D81-S83 VanDerWaalsContact OD1-OG 3.11Å; D81-S83 PolarHBondContact OD2-OG 3.22Å; S83-F85 PolarHBondContact O-N 3.14Å
84V37.5Very low29.8Very low126 Ų126124.4 Ų124.476%0.76476%0.758SS**G310 helixtrans-66-19.2-179.91790000113L82L82-V84 PolarHBondContact O-N 3Å
85F35.6Very low29.8Very low162 Ų162124.4 Ų124.471%0.71176%0.758SS**G310 helixtrans-87.7-5.2-174.2-85.5-87.5000116.3S83S83-F85 PolarHBondContact O-N 3.14Å
86D35.2Very low30Very low146 Ų146130.1 Ų130.178%0.78177%0.765SS**  trans-118.311-166.3-135.76.9000115.1
87A30.8Very low29.7Very low66 Ų66129 Ų12955%0.54576%0.759SS.*SBendtrans-86.5137.1167.500000110.5
88F35Very low29.8Very low206 Ų206133.8 Ų133.890%0.90477%0.768SS**  trans79.540.3175.9-43.1-69000117.8
89A29.8Very low29.6Very low78 Ų78134.5 Ų134.565%0.64576%0.761SS**PPolyproline II helixtrans-66.5140.8144.100000109.9V91A89-V91 PolarHBondContact O-N 2.92Å
90P29.4Very low29.4Very low126 Ų126131.9 Ų131.982%0.81876%0.761SS**PPolyproline II helixtrans-70.5127.6-178.327.4-33.6000111.6S92P90-S92 PolarHBondContact O-N 3.02Å
91V27.7Very low29.2Very low134 Ų134132.2 Ų132.281%0.81277%0.766SS**PPolyproline II helixtrans-69118.5174.4178.50000109.5A89 T93A89-V91 PolarHBondContact O-N 2.92Å; V91-T93 PolarHBondContact O-N 3.41Å
92S27.6Very low29Very low114 Ų114130 Ų13080%0.79777%0.773SS**PPolyproline II helixtrans-72.8117.6172360000110.9P90P90-S92 PolarHBondContact O-N 3.02Å
93T25.5Very low28.8Very low130 Ų130127.1 Ų127.180%0.79877%0.771SS**PPolyproline II helixtrans-92.9133.2170.533.50000110.8V91V91-T93 PolarHBondContact O-N 3.41Å
94P26.6Very low28.5Very low122 Ų122131.8 Ų131.879%0.79279%0.789SS**PPolyproline II helixtrans-78144179.431.4-34.2000111.7
95A24.8Very low28.1Very low101 Ų101131 Ų13184%0.83579%0.789SS**PPolyproline II helixtrans-74.6141.3176.800000112.4
96Q27.2Very low28.3Very low196 Ų196129.2 Ų129.292%0.91679%0.794SS**  trans-141.3131.7162.5-115.2177.6-18.600110.7
97N26.6Very low28Very low156 Ų156128.5 Ų128.583%0.83480%0.795SS**  trans-80.2140.9178-67.2-47.8000111.2
98Q26.1Very low28.5Very low178 Ų178130.3 Ų130.383%0.83280%0.801SS**  162.4134.2113.7-89-169.9-3400113.6
99V26.8Very low28.2Very low120 Ų120127.8 Ų127.873%0.72780%0.797SS**  trans43.2120.9135.6-164.40000117.4
100D24.6Very low28.3Very low152 Ų152130.3 Ų130.381%0.81381%0.805SS**  -165.8172.969-151.9-6.6000114.3
101S25.1Very low28.9Very low114 Ų114129.5 Ų129.580%0.79780%0.799SS**  trans-119.5127.9-179.8-57.10000112.3
102G24.8Very low29Very low78 Ų78130.3 Ų130.380%0.80480%0.799SS**  trans178.2100.3174.300000119.7
103A26.2Very low29.3Very low92 Ų92130.3 Ų130.376%0.7679%0.794SS**  trans58.3116.5132.800000124.1
104L26.3Very low30Very low171 Ų171129.9 Ų129.990%0.89579%0.794SS**  70.7130.5123.2-65.1166.4000123.1
105S28.8Very low30.1Very low109 Ų109129.4 Ų129.476%0.76279%0.788SS**  trans-62170173.7-31.20000115.2
106P39.5Very low30.3Very low125 Ų125131.3 Ų131.381%0.81279%0.79SS**  -146.9171.272.738.1-18.4000117.9
107V28.6Very low30.6Very low130 Ų130127.2 Ų127.279%0.78878%0.78SS**  trans-101142.5172.7173.90000109.8
108P41.3Very low30.6Very low105 Ų105128.4 Ų128.468%0.68278%0.778SS**  -129.4166.3117.16.715.8000111.1
109D27.9Very low30.8Very low152 Ų152128.4 Ų128.481%0.81378%0.776SS**  cis-161173.7-7.4-106.5-21.9000109.6
110T32.8Very low31Very low132 Ų132128 Ų12881%0.8178%0.776SS**  trans-135.9163.5168.460.90000110.3
111P43Very low31.2Very low109 Ų109126.2 Ų126.271%0.70878%0.775SS**  -144.5-178.285.541.4-22.9000112.2
112D29.3Very low31.5Very low150 Ų150126.7 Ų126.780%0.80278%0.776SS**  cis-140.4160.222.7-95.1-58.2000113.2
113T34.5Very low31.6Very low114 Ų114131.8 Ų131.870%0.69978%0.779SS**  trans-121.4171172.962.80000109.9
114P38.6Very low31.7Very low121 Ų121136.3 Ų136.379%0.78678%0.784SS**  -143.4133.28429.7-9.5000113.8
115V30Very low31.7Very low112 Ų112132.9 Ų132.968%0.67978%0.78SS**  57.2117.678.6-169.30000115.4
116T27.9Very low31.6Very low141 Ų141132.5 Ų132.587%0.86578%0.778SS**  trans-167159.8134.521.10000111.2
117P34.6Very low31Very low111 Ų111134 Ų13472%0.72178%0.779SS**  trans-132.6176.7-157.643.9-27.4000117.2
118F26.1Very low30.9Very low180 Ų180131.3 Ų131.379%0.78978%0.778SS**  trans36.9110.7147.4-103.9-120.8000121.9
119F30.1Very low30.5Very low178 Ų178134.3 Ų134.378%0.78179%0.788SS**  trans56.3166.3149.6-66.6-98.1000118.6
120P31.3Very low30.8Very low112 Ų112132.7 Ų132.773%0.72778%0.779SS**  cis-128.4-1673.442-24000114.4
121S29.1Very low30.8Very low114 Ų114131.9 Ų131.980%0.79778%0.776SS**  trans-66.4151.9162.5-54.50000112.1
122P30.2Very low30.5Very low125 Ų125137.4 Ų137.481%0.81278%0.783SS**  -143.7172.411637.6-23.5000114.8
123E27.1Very low30.8Very low185 Ų185135.9 Ų135.986%0.86478%0.784SS**  trans-79.7168.2175.6-67.1171.1119.500113.9
124E28.1Very low30.6Very low186 Ų186134.6 Ų134.687%0.86979%0.785SS**  trans78.2103.9158-70.1-173.5156.800122.4
125A26.2Very low30.4Very low99 Ų99140.4 Ų140.482%0.81879%0.791SS**  76.1113.4127.300000121.4
126S27.2Very low30.4Very low101 Ų101142.8 Ų142.871%0.70680%0.8SS**  -178.4132.189.5-169.50000114.5
127N27.9Very low30.3Very low157 Ų157140.5 Ų140.584%0.8480%0.796SS**  trans52.199.3151.1-65.7-4.6000122.1
128G26.4Very low30Very low74 Ų74142.2 Ų142.276%0.76380%0.799SS**  trans-146.9120.5143.100000109.3
129N31.7Very low30.4Very low167 Ų167138 Ų13889%0.89379%0.79SS**  trans-63.7131.7-169.1-70.10000113.8
130D35.3Very low30.3Very low119 Ų119135.2 Ų135.264%0.63679%0.792SS**  trans-104.7127.6167.5-175.84.4000110.4W132D130-W132 VanDerWaalsContact C-N 3.29Å; D130-W132 PolarHBondContact O-N 2.7Å; D130-W132 VanDerWaalsContact O-N 3.12Å
131P31.4Very low30Very low115 Ų115133.8 Ų133.875%0.74780%0.798SS**THydrogen-bonded Turntrans-73.56.3-169.7-20.434.5000118.2
132W36.7Very low29.8Very low225 Ų225131.6 Ų131.685%0.85279%0.793SS**THydrogen-bonded Turntrans-106.75.4-167.8-78.380.9000116.7D130 A134D130-W132 VanDerWaalsContact C-N 3.29Å; D130-W132 PolarHBondContact O-N 2.7Å; D130-W132 VanDerWaalsContact O-N 3.12Å; W132-A134 VanDerWaalsContact C-N 3.28Å; W132-A134 PolarHBondContact O-N 3.24Å; W132-A134 VanDerWaalsContact O-N 3.12Å
133S36.8Very low29.7Very low118 Ų118132.2 Ų132.283%0.82580%0.795SS**  trans-82.623.2-173.168.80000116.2
134A30.6Very low29.7Very low86 Ų86130 Ų13071%0.71179%0.789SS**  trans-101.32.2-166.800000116.1W132W132-A134 VanDerWaalsContact C-N 3.28Å; W132-A134 PolarHBondContact O-N 3.24Å; W132-A134 VanDerWaalsContact O-N 3.12Å
135W32.9Very low29.7Very low243 Ų243127.7 Ų127.792%0.9278%0.783SS**SBendtrans-127.366.3-177.9-84.953.6000111.9
136N30.5Very low29.8Very low163 Ų163129.6 Ų129.687%0.87278%0.779SS**  trans-170.2147.2147.4-97.7-43000111.7
137A26.7Very low29.7Very low93 Ų93135.6 Ų135.677%0.76979%0.786SS**  trans70.3147.2-173.500000114.6
138D28.1Very low29.8Very low147 Ų147131.6 Ų131.679%0.78678%0.775SS**  cis-149.8-154.316.4-154.125.7000112.4
139P33.6Very low29.9Very low91 Ų91133.6 Ų133.659%0.59178%0.777SS**  -124.3-175.7-109.541.7-25.9000117.1
140S29.2Very low29.7Very low119 Ų119132.8 Ų132.883%0.83277%0.773SS**  trans77.4123.5148.668.70000120.4
141G25.1Very low29.8Very low83 Ų83132.5 Ų132.586%0.85678%0.778SS**  trans137.771.9147.800000120.3
142G23.4Very low29.5Very low67 Ų67136.1 Ų136.169%0.69179%0.785SS**  trans109.2112.2138.500000121.2
143T28.8Very low29Very low138 Ų138128.7 Ų128.785%0.84778%0.778SS**  trans64.6136.5143.156.10000120.1
144N27.9Very low28.5Very low140 Ų140130.3 Ų130.375%0.74978%0.783SS**  cis-162.4165.2-5-143.66.4000112.7
145N28.4Very low28.3Very low137 Ų137135 Ų13573%0.73379%0.79SS**  trans112.595.2154-60.6-15.7000119.5
146N27.6Very low28Very low139 Ų139130.6 Ų130.674%0.74379%0.79SS**  trans3.1147134.6-80.94.9000118.6
147W24.8Very low27.7Very low227 Ų227126.2 Ų126.286%0.8678%0.784SS**  -160.8158.962.4-158.3-86.6000114.3
148A29.2Very low27.7Very low72 Ų72131.9 Ų131.960%0.59579%0.791SS**  trans-131.4157.5174.700000112.1
149S28.6Very low27.5Very low117 Ų117130.8 Ų130.882%0.81880%0.795SS**  trans81.8136.3162.7-52.20000119.4
150N29.4Very low27.2Very low149 Ų149130.7 Ų130.780%0.79780%0.802SS**  trans-81.4158173.1-165.744.5000111.4
151P35.9Very low27.3Very low114 Ų114130.9 Ų130.974%0.7480%0.801SS**  trans-139.1173.1137.634.5-18.7000114.7
152E26.4Very low27.4Very low191 Ų191133.8 Ų133.889%0.89380%0.797SS**  trans-79.8150.2-162.1-60.6162.6105.300116.7
153G25.5Very low27.7Very low69 Ų69135.9 Ų135.971%0.71180%0.798SS**  95.2103.812300000120
154T26.7Very low27.9Very low152 Ų152140.5 Ų140.593%0.93380%0.8SS**  trans-160.3143.1134.43.10000111
155Q26.6Very low27.7Very low184 Ų184136.7 Ų136.786%0.8679%0.794SS**  trans-80.8143.3-178.8-62.8171.4-5.200111.5
156T25.9Very low27.8Very low150 Ų150138.4 Ų138.492%0.9280%0.803SS**  178.9138.3127.425.80000112.5
157G23.6Very low27.8Very low72 Ų72137.5 Ų137.574%0.74280%0.802SS**  trans97.992.7142.200000120
158K26.3Very low27.8Very low211 Ų211132.4 Ų132.492%0.91780%0.801SS**  trans64.196.5146.8-59.2-177.5-179.6-179.20118.6
159S24.8Very low27.8Very low124 Ų124137.3 Ų137.387%0.86781%0.812SS**PPolyproline II helixtrans-63.3133.7158.7-33.20000111.4
160A28.2Very low27.8Very low90 Ų90134.3 Ų134.374%0.74480%0.799SS**PPolyproline II helixtrans-84.3149.5156.300000109.1
161P29.6Very low28.2Very low123 Ų123129.1 Ų129.180%0.79977%0.77SS**PPolyproline II helixtrans-77.1141.9-176.930.8-34.2000112.5
162D28.5Very low28.1Very low144 Ų144127.6 Ų127.677%0.7776%0.76SS**PPolyproline II helixtrans-60.3130.8167.2-110.1-50.3000110.7W164D162-W164 VanDerWaalsContact C-N 3.27Å; D162-W164 PolarHBondContact O-N 2.95Å
163P29.5Very low28.4Very low110 Ų110125.2 Ų125.271%0.71475%0.749SS**SBendtrans-81.8-0.9-179.928.9-29000114
164W32.3Very low28.6Very low235 Ų235125.2 Ų125.289%0.8974%0.742SS**  trans-112.162.4-178.8-66.286.3000111.7D162D162-W164 VanDerWaalsContact C-N 3.27Å; D162-W164 PolarHBondContact O-N 2.95Å
165G24.8Very low28.7Very low60 Ų60128.1 Ų128.162%0.61974%0.738SS**  trans-69.2146.3167.800000112.1V167G165-V167 PolarHBondContact O-N 3.35Å
166N30.7Very low28.8Very low174 Ų174126.7 Ų126.793%0.9373%0.731SS**  trans-61.3116.7-176.6-157.417.4000111.9
167V26.3Very low28.9Very low119 Ų119121.2 Ų121.272%0.72171%0.705SS**  trans-127.6129173.2179.50000109G165 Q169G165-V167 PolarHBondContact O-N 3.35Å; V167-Q169 PolarHBondContact O-N 2.65Å
168S25.6Very low29.2Very low121 Ų121124.1 Ų124.185%0.84671%0.71SS**  trans-57.3118.1178.9-54.30000111.4G170S168-G170 PolarHBondContact O-N 2.93Å
169Q29.1Very low29.3Very low175 Ų175118.7 Ų118.782%0.81871%0.705SS**  trans-74.5107.3173.4-69.4180-21.400109.6V167V167-Q169 PolarHBondContact O-N 2.65Å
170G28.4Very low30.1Very low54 Ų54116.5 Ų116.556%0.55769%0.694SS**  trans-84.6175.8155.700000110.8S168S168-G170 PolarHBondContact O-N 2.93Å
171H37.1Very low30.1Very low40 Ų40120.9 Ų120.919%0.18570%0.699CS.*  trans-34.3138.5174.8-148.5-84.5000113.9Q173 Y312 C520 D523H171-Q173 PolarHBondContact O-N 3.05Å; H171-Y312 PolarHBondContact CE1-OH 2.98Å; H171-Y312 VanDerWaalsContact CE1-OH 3.32Å; H171-C520 PolarHBondContact NE2-SG 3.16Å; H171-C520 VanDerWaalsContact NE2-SG 3.44Å; H171-D523 WeakPolarHBondContact CA-OD2 2.99Å; H171-D523 VanDerWaalsContact CB-OD2 3.3Å; H171-D523 WeakPolarHBondContact CB-OD2 3.36Å; H171-D523 IonicContact CD2-OD2 2.73Å; H171-D523 PolarHBondContact CD2-OD2 3.19Å; H171-D523 IonicContact CG-OD2 3.83Å; H171-D523 PolarHBondContact N-OD2 2.93Å; H171-D523 VanDerWaalsContact N-OD2 3.15Å
172P34.7Very low30.2Very low82 Ų82121.9 Ų121.953%0.53270%0.698SS.*  trans-60.9100167.425.5-32.7000109.1A174P172-A174 PolarHBondContact O-N 3.35Å
173Q33.3Very low30.7Very low141 Ų141121.4 Ų121.466%0.65970%0.695SS**  trans-71.5124178.2-80.8-176.5-7800109.6H171 Y175H171-Q173 PolarHBondContact O-N 3.05Å; Q173-Y175 PolarHBondContact O-N 2.92Å
174A29.2Very low30.9Very low68 Ų68123.9 Ų123.956%0.56270%0.697SS**  trans-57.3130.9153.500000108P172 Q176P172-A174 PolarHBondContact O-N 3.35Å; A174-Q176 PolarHBondContact O-N 3.27Å
175Y27.7Very low31Very low214 Ų214122 Ų12284%0.83969%0.691SS**  trans-43.6111-173.6179.9-93.8000113.1Q173 G177Q173-Y175 PolarHBondContact O-N 2.92Å; Y175-G177 PolarHBondContact O-N 3.04Å
176Q28.4Very low31.9Very low153 Ų153126.3 Ų126.372%0.71570%0.699SS**  trans-80.4105.1165.9-78.2-176.3-24.300108.5A174A174-Q176 PolarHBondContact O-N 3.27Å
177G28.8Very low32.3Very low36 Ų36124.3 Ų124.337%0.37169%0.688SS.*PPolyproline II helixtrans-65.1171.1160.400000111.3Y175Y175-G177 PolarHBondContact O-N 3.04Å
178P29.9Very low32.6Very low132 Ų132126.2 Ų126.286%0.85769%0.689SS**SBendtrans-57.4152.2-178.924.8-33.9000112.4
179A29.3Very low33.5Very low98 Ų98129.6 Ų129.681%0.8168%0.684SS**PPolyproline II helixtrans-62.3149.4-166.100000114.3E181A179-E181 PolarHBondContact O-N 2.97Å
180A40.3Very low34Very low78 Ų78128.9 Ų128.965%0.64569%0.686SS**  trans-44.6117.4179.400000116
181E28.5Very low34.4Very low181 Ų181135.4 Ų135.485%0.84670%0.702SS**  trans-129.69151.4-68-169.9170.100112A179A179-E181 PolarHBondContact O-N 2.97Å
182D32.3Very low34.2Very low145 Ų145141.1 Ų141.178%0.77573%0.73SS**  trans-91.5-4.2-177-91.7-3.5000114.5
183D39.1Very low34Very low133 Ų133146.9 Ų146.971%0.71175%0.747SS**THydrogen-bonded Turntrans-84.6-4.8-171.6-80.2-34.5000114.6
184E33.7Very low33.9Very low162 Ų162146.4 Ų146.476%0.75776%0.759SS**THydrogen-bonded Turntrans-86.5-15.4-178.3-66.9-169.7154.500114.5
185W34.8Very low33.8Very low197 Ų197149.1 Ų149.175%0.74677%0.774SS**THydrogen-bonded Turntrans-82.8-11.6-171.7-75.778.1000115.9
186D43Very low33.8Very low149 Ų149144.1 Ų144.180%0.79778%0.777SS**THydrogen-bonded Turntrans-88.4-12.8-176.3-110.913.9000113.2
187D39.5Very low33.6Very low132 Ų132139.8 Ų139.871%0.70677%0.773SS**THydrogen-bonded Turntrans-108.1-22.6-170.3-85.3-19.1000115.9
188E32.4Very low33.5Very low159 Ų159149.7 Ų149.774%0.74380%0.801SS**SBendtrans-84.2-19.4-170.6-68.6-158.6141.900116.4
189W43.9Very low33.4Very low192 Ų192147.9 Ų147.973%0.72780%0.797SS**SBendtrans-96.1-8.2-163.9-71.197.5000116.5
190D39.4Very low33.1Very low161 Ų161152 Ų15286%0.86180%0.8SS**SBendtrans-91.3-13.4-178.2-85.3-11.5000114.1M192D190-M192 VanDerWaalsContact C-N 3.28Å; D190-M192 PolarHBondContact O-N 3.18Å
191E36.2Very low32.5Very low190 Ų190153.8 Ų153.889%0.88881%0.808SS**  trans-84.355175.4-72-149.9163.700113.7
192M33.5Very low32.5Very low160 Ų160153.9 Ų153.979%0.78881%0.808SS**  trans-143.677.2169.6-165.555.8154.300114.1D190D190-M192 VanDerWaalsContact C-N 3.28Å; D190-M192 PolarHBondContact O-N 3.18Å
193K31.7Very low32.3Very low204 Ų204152.6 Ų152.689%0.88781%0.81SS**  trans177.4108.8134.1-97.3156.7-170.1174.90113.8
194S30Very low31.6Very low130 Ų130150 Ų15091%0.90982%0.815SS**  -152.8130124.960.60000109.6
195S27.9Very low31.3Very low126 Ų126151.6 Ų151.688%0.88182%0.823SS**  trans-137.2113.6-179.8176.10000110.1
196A26.7Very low30.9Very low109 Ų109147.4 Ų147.490%0.90183%0.83SS**  trans177.7130.6158.800000107.2
197G24.4Very low30.1Very low61 Ų61144.1 Ų144.163%0.62983%0.831SS**  cis165.1145.4-8.700000110.5
198Y27.7Very low29.5Very low244 Ų244141.4 Ų141.496%0.95783%0.834SS**  trans66.9146.3170.9-62.5-81.7000117.4
199A26.1Very low29.4Very low94 Ų94142.2 Ų142.278%0.77784%0.842SS**  cis-147.6178.62.800000112.7
200E24.5Very low28.7Very low186 Ų186141 Ų14187%0.86984%0.844SS**  trans-79.1158.2-171.6-57.5153.7116.200116
201S27.9Very low28Very low115 Ų115144.5 Ų144.580%0.80485%0.845SS**  -178.2120.4121.538.20000115.5
202E26.8Very low27.4Very low182 Ų182139.4 Ų139.485%0.8584%0.844SS**  trans23.9125.7146.7-61.1-172.5116.200125.1
203S28.2Very low26.9Very low118 Ų118135.3 Ų135.383%0.82584%0.843SS**  61.9131.9127.578.20000122.8
204G26.1Very low26.8Very low79 Ų79134.8 Ų134.881%0.81485%0.846SS**  trans170.5108.7164.100000112.6
205E26.8Very low26.7Very low196 Ų196137.8 Ų137.892%0.91685%0.845SS**  trans-78161.1179.9-77.3-17510800114.4
206A26.4Very low26.6Very low108 Ų108136.3 Ų136.389%0.89384%0.841SS**  trans75.1131.5153.900000119.9
207G26Very low26.5Very low81 Ų81136.4 Ų136.484%0.83584%0.835SS**  trans139.181.4167.500000113.5
208G27.8Very low26.6Very low74 Ų74138.2 Ų138.276%0.76384%0.837SS**  trans-79.1146.8175.300000113
209I29.4Very low26.5Very low176 Ų176134.9 Ų134.990%0.90383%0.833SS**  trans-165.4140147.5-98.5147.8000108.1
210Q28.4Very low26.6Very low166 Ų166139.2 Ų139.278%0.77683%0.834SS**  trans-90.8137.7-178.3-111.8-177.9-7.500112.7
211R26.4Very low27.2Very low235 Ų235134.9 Ų134.989%0.88782%0.816SS**  trans68.3113.1151.6-67.9179.2167.7177.9-3119.8
212G23.7Very low27Very low83 Ų83134.5 Ų134.586%0.85681%0.813SS**  trans-168.5113.3149.800000110.4
213G22.6Very low27.5Very low74 Ų74131 Ų13176%0.76380%0.8SS**  trans173.967.1-172.800000116.4
214M30.1Very low27.8Very low194 Ų194131.3 Ų131.396%0.95679%0.792SS**  trans31.492.3149.6-65161.962.600119.1
215H26.9Very low28.3Very low192 Ų192137.3 Ų137.389%0.88980%0.796SS**  trans-86133.6153.7-97.3-75.6000110.6
216A26.7Very low28.9Very low96 Ų96132.4 Ų132.479%0.79377%0.772SS**  trans-61.7136.4169.900000111S218A216-S218 PolarHBondContact O-N 3.45Å
217S24.3Very low29.2Very low111 Ų111133.5 Ų133.578%0.77677%0.77SS**  trans-73.892.6-17531.70000112.4M219S217-M219 PolarHBondContact O-N 2.87Å
218S25.9Very low29.8Very low98 Ų98133.5 Ų133.569%0.68577%0.77SS**  trans-58.4104.8155.4172.40000108.6A216 K220A216-S218 PolarHBondContact O-N 3.45Å; S218-K220 PolarHBondContact O-N 3Å
219M26.2Very low30.5Very low175 Ų175133.6 Ų133.686%0.86275%0.749SS**  trans-72.183.7172.3-72.5-161.1-68.200109.4S217 I221S217-M219 PolarHBondContact O-N 2.87Å; M219-I221 PolarHBondContact O-N 3.2Å; M219-I221 VanDerWaalsContact O-N 3.11Å
220K27.6Very low31.3Very low185 Ų185128.7 Ų128.780%0.80473%0.731SS**  trans-59.4113.7166.6-70.2-178.7178177.20108.5S218 S222S218-K220 PolarHBondContact O-N 3Å; K220-S222 PolarHBondContact O-N 3.38Å; K220-S222 VanDerWaalsContact O-N 3.12Å
221I36Very low32.5Very low95 Ų95130.3 Ų130.349%0.48774%0.735SS.*  trans-54.7118.3167.1-71155.1000107.4M219 L223M219-I221 PolarHBondContact O-N 3.2Å; M219-I221 VanDerWaalsContact O-N 3.11Å; I221-L223 HydrophobicContact CG2-CD1 4.12Å; I221-L223 PolarHBondContact O-N 3.23Å
222S25.2Very low34.1Very low107 Ų107123.9 Ų123.975%0.74873%0.726SS**  trans-75.269.1177.1440000110.3K220 N224K220-S222 PolarHBondContact O-N 3.38Å; K220-S222 VanDerWaalsContact O-N 3.12Å; S222-N224 PolarHBondContact O-N 2.81Å
223L37.2Very low36.8Very low108 Ų108120.3 Ų120.357%0.56569%0.689SS**  trans-66.5100.3167.5-139.778.4000107.4I221 K225 L236I221-L223 HydrophobicContact CG2-CD1 4.12Å; I221-L223 PolarHBondContact O-N 3.23Å; L223-K225 PolarHBondContact O-N 3.3Å; L223-L236 HydrophobicContact CD2-CD1 4.32Å
224N34.3Very low40Very low125 Ų125117.3 Ų117.367%0.66866%0.656SS**  trans-56.5114.8177.6-83.5-6000109.2S222 F226S222-N224 PolarHBondContact O-N 2.81Å; N224-F226 PolarHBondContact O-N 3.08Å
225K36.5Very low42.7Very low204 Ų204109.8 Ų109.889%0.88762%0.619SS**  trans-59100.6174.3-80.7179.9171179.70109.8L223L223-K225 PolarHBondContact O-N 3.3Å
226F38.8Very low45.7Very low94 Ų94103.6 Ų103.641%0.41259%0.592SS.*  trans-71.5124.6157.1-76.6-78.3000108.6N224 G228 F229 K546N224-F226 PolarHBondContact O-N 3.08Å; F226-G228 PolarHBondContact O-N 3.48Å; F226-F229 HydrophobicContact CB-CD2 3.54Å; F226-F229 HydrophobicContact CB-CE2 3.65Å; F226-F229 HydrophobicContact CG-CE2 4.26Å; F226-K546 WeakPolarHBondContact CE1-O 3.32Å
227P33.2Very low48.8Very low131 Ų13199.5 Ų99.585%0.85156%0.556SS**THydrogen-bonded Turntrans-70.3119.2177.2-1327.6000110
228G37.8Very low52.1Low81 Ų8194.2 Ų94.284%0.83552%0.519SS*.THydrogen-bonded Turntrans122.2-2.4169.500000117.2F226F226-G228 PolarHBondContact O-N 3.48Å
229F43.7Very low55Low76 Ų7691 Ų9133%0.33349%0.494SS..  trans-97.5133.3177.8-62.5-76.3000112.1F226 E235F226-F229 HydrophobicContact CB-CD2 3.54Å; F226-F229 HydrophobicContact CB-CE2 3.65Å; F226-F229 HydrophobicContact CG-CE2 4.26Å; F229-E235 HydrophobicContact CD1-CB 3.79Å; F229-E235 HydrophobicContact CD1-CG 3.73Å; F229-E235 HydrophobicContact CE1-CB 4.11Å; F229-E235 HydrophobicContact CE1-CG 3.74Å
230S46.8Very low57.8Low73 Ų7383.5 Ų83.551%0.5146%0.459SS..  trans-70.1153170.657.50000110.3S232S230-S232 PolarHBondContact O-N 3.32Å; S230-S232 VanDerWaalsContact O-N 3.12Å
231K51.7Low60.1Low200 Ų20082 Ų8287%0.8745%0.452SS*.THydrogen-bonded Turntrans-70.3-2.7-179-72.7-175.1176.1-179.20114.5
232S60.7Low61.4Low99 Ų9982.7 Ų82.769%0.69245%0.453SS*.THydrogen-bonded Turntrans-128.6-1.9-17051.70000114.6S230S230-S232 PolarHBondContact O-N 3.32Å; S230-S232 VanDerWaalsContact O-N 3.12Å
233G81.4Confident63.1Low8 Ų882.7 Ų82.78%0.08244%0.444CS..SBendtrans-74.5158.7178.800000113.3E235 L236G233-E235 WeakPolarHBondContact CA-OE2 3.47Å; G233-E235 PolarHBondContact O-N 2.99Å; G233-L236 WeakPolarHBondContact O-CB 3.35Å; G233-L236 PolarHBondContact O-N 3.47Å
234P87.9Confident64.1Low12 Ų1279.3 Ų79.38%0.07843%0.431CS..THydrogen-bonded Turntrans-58.6-19.517726.3-35.4000113.2L236 Y237 L238 A530 A531P234-L236 PolarHBondContact O-N 2.89Å; P234-Y237 PolarHBondContact O-N 2.94Å; P234-Y237 VanDerWaalsContact O-N 3.14Å; P234-L238 HydrophobicContact CB-CD1 4.46Å; P234-L238 WeakPolarHBondContact O-CG 3.47Å; P234-L238 PolarHBondContact O-N 3.23Å; P234-A530 HydrophobicContact CG-CB 3.84Å; P234-A531 HydrophobicContact CB-CB 3.82Å; P234-A531 HydrophobicContact CG-CB 4.31Å
235E87.6Confident65Low35 Ų3583.7 Ų83.716%0.16445%0.445CS..Hα-helixtrans-57.7-29.3173.9-58.7103.5137.600113.6F229 G233 Y237 L238 L239 K534F229-E235 HydrophobicContact CD1-CB 3.79Å; F229-E235 HydrophobicContact CD1-CG 3.73Å; F229-E235 HydrophobicContact CE1-CB 4.11Å; F229-E235 HydrophobicContact CE1-CG 3.74Å; G233-E235 WeakPolarHBondContact CA-OE2 3.47Å; G233-E235 PolarHBondContact O-N 2.99Å; E235-Y237 VanDerWaalsContact C-N 3.29Å; E235-Y237 PolarHBondContact O-N 3.41Å; E235-L238 PolarHBondContact O-N 2.98Å; E235-L239 WeakPolarHBondContact O-CB 3.33Å; E235-L239 PolarHBondContact O-N 3.23Å; E235-K534 HydrophobicContact CG-CD 3.58Å; E235-K534 HydrophobicContact CG-CG 3.73Å; E235-K534 WeakPolarHBondContact OE1-CD 3.39Å; E235-K534 IonicContact OE1-NZ 3.73Å
236L90.3Very high65.9Low62 Ų6276.2 Ų76.233%0.32543%0.425SS..Hα-helixtrans-58.4-43.6176.4-178.366.2000111.2L223 G233 P234 C240 V395 M396L223-L236 HydrophobicContact CD2-CD1 4.32Å; G233-L236 WeakPolarHBondContact O-CB 3.35Å; G233-L236 PolarHBondContact O-N 3.47Å; P234-L236 PolarHBondContact O-N 2.89Å; L236-C240 WeakPolarHBondContact O-CB 3.15Å; L236-C240 PolarHBondContact O-N 3.42Å; L236-V395 HydrophobicContact CB-CG2 4.06Å; L236-V395 HydrophobicContact CD2-CG2 4.29Å; L236-M396 HydrophobicContact CD2-CG 3.92Å; L236-M396 HydrophobicContact CD2-SD 4.06Å; L236-M396 HydrophobicContact CG-CG 4.35Å; L236-M396 HydrophobicContact CG-SD 3.8Å
237Y92.6Very high66.6Low10 Ų1081.1 Ų81.14%0.03945%0.446CS..Hα-helixtrans-76.6-52.7174.4172.8-118.8000111.6P234 E235 L239 C240 V395 F398 T399 R558 T561 M562P234-Y237 PolarHBondContact O-N 2.94Å; P234-Y237 VanDerWaalsContact O-N 3.14Å; E235-Y237 VanDerWaalsContact C-N 3.29Å; E235-Y237 PolarHBondContact O-N 3.41Å; Y237-L239 PolarHBondContact O-N 3.42Å; Y237-L239 VanDerWaalsContact O-N 3.11Å; Y237-C240 WeakPolarHBondContact O-CB 3.22Å; Y237-C240 PolarHBondContact O-N 2.65Å; Y237-V395 WeakPolarHBondContact CB-O 3.44Å; Y237-F398 HydrophobicContact CD1-CB 3.88Å; Y237-F398 HydrophobicContact CD1-CD2 4.16Å; Y237-F398 HydrophobicContact CD1-CG 4.37Å; Y237-F398 HydrophobicContact CD2-CB 3.97Å; Y237-F398 HydrophobicContact CE1-CB 3.47Å; Y237-F398 VanDerWaalsContact CE1-CB 3.47Å; Y237-F398 HydrophobicContact CE1-CD2 4.41Å; Y237-F398 HydrophobicContact CE1-CG 4.17Å; Y237-F398 HydrophobicContact CE2-CB 3.57Å; Y237-F398 WeakPolarHBondContact CE2-O 3.42Å; Y237-F398 HydrophobicContact CG-CB 4.11Å; Y237-F398 PolarHBondContact OH-O 2.81Å; Y237-T399 HydrophobicContact CD2-CG2 3.59Å; Y237-T399 HydrophobicContact CE2-CG2 3.68Å; Y237-R558 HydrophobicContact CD1-CB 4.2Å; Y237-R558 HydrophobicContact CE1-CB 3.52Å; Y237-R558 HydrophobicContact CE1-CG 3.94Å; Y237-R558 HydrophobicContact CE2-CG 4.31Å; Y237-R558 WeakPolarHBondContact O-CD 3.46Å; Y237-T561 WeakPolarHBondContact OH-CB 3.49Å; Y237-M562 HydrophobicContact CD1-CG 4.21Å; Y237-M562 HydrophobicContact CD1-SD 3.93Å; Y237-M562 HydrophobicContact CE1-CG 3.88Å; Y237-M562 HydrophobicContact CE1-SD 4.15Å
238L92.3Very high68.2Low0 Ų081.1 Ų81.10%044%0.439CS..Hα-helixtrans-56-33.7-174.5-69.4176.5000113P234 E235 A531 K534 V535 M555 R558P234-L238 HydrophobicContact CB-CD1 4.46Å; P234-L238 WeakPolarHBondContact O-CG 3.47Å; P234-L238 PolarHBondContact O-N 3.23Å; E235-L238 PolarHBondContact O-N 2.98Å; L238-A531 HydrophobicContact CD1-CB 4.09Å; L238-K534 HydrophobicContact CD1-CB 3.83Å; L238-K534 HydrophobicContact CD1-CG 4.26Å; L238-V535 HydrophobicContact CD1-CG2 4.46Å; L238-V535 HydrophobicContact CD2-CG2 4.43Å; L238-M555 HydrophobicContact CB-CG 4.14Å; L238-M555 HydrophobicContact CD1-CE 4.35Å; L238-M555 WeakPolarHBondContact O-CG 3.26Å; L238-R558 HydrophobicContact CD2-CB 3.87Å; L238-R558 WeakPolarHBondContact O-CD 3.46Å; L238-R558 PolarHBondContact O-NH1 3.1Å
239L87.6Confident70.4Confident30 Ų3082.5 Ų82.516%0.15742%0.422CS..THydrogen-bonded Turntrans-106.58.5179.5-64173.4000114.3E235 Y237 I547 D551 M555E235-L239 WeakPolarHBondContact O-CB 3.33Å; E235-L239 PolarHBondContact O-N 3.23Å; Y237-L239 PolarHBondContact O-N 3.42Å; Y237-L239 VanDerWaalsContact O-N 3.11Å; L239-I547 HydrophobicContact CD1-CG2 4.42Å; L239-I547 HydrophobicContact CD2-CG2 4Å; L239-D551 HydrophobicContact CD2-CB 4.34Å; L239-M555 HydrophobicContact CD2-CG 3.82Å; L239-M555 HydrophobicContact CD2-SD 3.61Å; L239-M555 HydrophobicContact CG-SD 4.41Å
240C85.4Confident72.7Confident18 Ų1880.9 Ų80.912%0.12242%0.417CS..  trans-57.9143.3-179.8-169.20000111.9L236 Y237 Q242 R558L236-C240 WeakPolarHBondContact O-CB 3.15Å; L236-C240 PolarHBondContact O-N 3.42Å; Y237-C240 WeakPolarHBondContact O-CB 3.22Å; Y237-C240 PolarHBondContact O-N 2.65Å; C240-Q242 PolarHBondContact SG-N 3.35Å; C240-Q242 VanDerWaalsContact SG-N 3.41Å; C240-Q242 PolarHBondContact SG-O 2.92Å; C240-R558 PolarHBondContact O-NH1 3.28Å; C240-R558 PolarHBondContact O-NH2 3.23Å
241K74.4Confident74.9Confident153 Ų15379.3 Ų79.367%0.66541%0.406SS*.SBendtrans-100.8-10.1175.9-64.6-168.1176.4-169.60113.9
242Q63.5Low77Confident110 Ų11069.9 Ų69.951%0.51437%0.365SS..  trans-120.4112.7178.1-71.5-178.4-30.700109.4C240C240-Q242 PolarHBondContact SG-N 3.35Å; C240-Q242 VanDerWaalsContact SG-N 3.41Å; C240-Q242 PolarHBondContact SG-O 2.92Å
243I61.8Low78.5Confident107 Ų10769.8 Ų69.855%0.54935%0.35SS..  trans-75.8132.5162.4-58.9171000106.2K245I243-K245 PolarHBondContact O-N 3.05Å; I243-K245 VanDerWaalsContact O-N 3.16Å
244A57.6Low79.1Confident37 Ų3773.6 Ų73.631%0.30637%0.372SS..  trans-59.4118.7-178.300000110.1G246A244-G246 PolarHBondContact O-N 3Å
245K52.5Low79.3Confident218 Ų21874.2 Ų74.295%0.94838%0.38SS*.  trans-82.454.2172.3-67.9-172.5177.5-176.60110.5I243I243-K245 PolarHBondContact O-N 3.05Å; I243-K245 VanDerWaalsContact O-N 3.16Å
246G56Low79.5Confident46 Ų4682.4 Ų82.447%0.47442%0.418SS..  trans-77.5161172.500000111.8A244A244-G246 PolarHBondContact O-N 3Å
247K53.9Low79.6Confident198 Ų19884.2 Ų84.286%0.86143%0.432SS*.SBendtrans-82.4-30.1169.6-76.5-174.5173.5-176.60112.2K249K247-K249 PolarHBondContact O-N 3.46Å
248D66.4Low79.7Confident130 Ų13084.7 Ų84.770%0.69544%0.44SS*.  trans-97.990.6-170.2-44.3-59.3000109
249K85Confident80Confident110 Ų11085.2 Ų85.248%0.47844%0.443SS..  trans-94.2138.1175.8-66.9179.7167.7-161.50109.9K247 T400 E402K247-K249 PolarHBondContact O-N 3.46Å; K249-T400 CarbonylContact C-O 3.6Å; K249-T400 WeakPolarHBondContact CA-O 3.22Å; K249-E402 HydrophobicContact CD-CG 4.37Å; K249-E402 WeakPolarHBondContact CD-OE2 3.39Å; K249-E402 VanDerWaalsContact CE-OE1 3.28Å; K249-E402 WeakPolarHBondContact CE-OE1 3.27Å; K249-E402 WeakPolarHBondContact CE-OE2 3.12Å; K249-E402 IonicContact NZ-OE1 3.77Å; K249-E402 PolarHBondContact NZ-OE1 3.4Å; K249-E402 IonicContact NZ-OE2 2.71Å; K249-E402 PolarHBondContact NZ-OE2 3.42Å
250L91.4Very high80.4Confident42 Ų4284.5 Ų84.522%0.2244%0.44CS..EExtended strand (participates in β ladder)trans-93.5102.5176.3-59.5176000108.8W261 V361 T400 I401 E402L250-W261 HydrophobicContact CB-CZ3 4.42Å; L250-V361 HydrophobicContact CD1-CG1 3.57Å; L250-V361 HydrophobicContact CD1-CG2 4.43Å; L250-V361 HydrophobicContact CD2-CG1 3.97Å; L250-V361 HydrophobicContact CD2-CG2 4.41Å; L250-V361 HydrophobicContact CG-CG1 4.42Å; L250-T400 PolarHBondContact N-O 2.9Å; L250-I401 HydrophobicContact CB-CG1 4.04Å; L250-I401 HydrophobicContact CD1-CG1 4.01Å; L250-I401 WeakPolarHBondContact O-CA 3.33Å; L250-E402 PolarHBondContact O-N 3.32Å
251S91.8Very high80.9Confident40 Ų4083.8 Ų83.828%0.2843%0.434SS..EExtended strand (participates in β ladder)trans-76137.8176.5-70.70000112S262 E404S251-S262 PolarHBondContact O-N 3.39Å; S251-E404 PolarHBondContact OG-OE1 2.77Å
252I95.8Very high81.8Confident2 Ų279.9 Ų79.91%0.0143%0.427CS..EExtended strand (participates in β ladder)trans-118.1126.8165.8-64.1174.4000107.4P259 V260 W261 I401 E402 P403 E404 A568I252-P259 HydrophobicContact CG2-CB 3.97Å; I252-V260 WeakPolarHBondContact CA-O 3.49Å; I252-W261 HydrophobicContact CD1-CE3 4.09Å; I252-W261 HydrophobicContact CD1-CH2 4.09Å; I252-W261 HydrophobicContact CD1-CZ3 3.66Å; I252-W261 HydrophobicContact CG1-CE3 3.61Å; I252-W261 HydrophobicContact CG1-CH2 4.47Å; I252-W261 HydrophobicContact CG1-CZ3 3.58Å; I252-I401 HydrophobicContact CD1-CG2 3.55Å; I252-I401 HydrophobicContact CG1-CG2 4.08Å; I252-E402 PolarHBondContact N-O 2.93Å; I252-P403 HydrophobicContact CB-CB 4.41Å; I252-P403 CarbonylContact O-C 3.57Å; I252-P403 WeakPolarHBondContact O-CA 3.38Å; I252-E404 PolarHBondContact O-N 2.97Å; I252-A568 HydrophobicContact CD1-CB 4.03Å; I252-A568 HydrophobicContact CG1-CB 4.23Å; I252-A568 HydrophobicContact CG2-CB 4.06Å
253Y93.6Very high83.2Confident98 Ų9878.4 Ų78.438%0.38442%0.417SS..EExtended strand (participates in β ladder)trans-115163.9176.667.6-83.6000111P259 V260 W261Y253-P259 CarbonylContact O-C 3.59Å; Y253-P259 WeakPolarHBondContact O-CA 3.45Å; Y253-V260 HydrophobicContact CD1-CG2 4.12Å; Y253-V260 HydrophobicContact CD2-CG2 3.79Å; Y253-V260 HydrophobicContact CE1-CG2 3.73Å; Y253-V260 HydrophobicContact CE2-CG2 3.38Å; Y253-V260 HydrophobicContact CG-CG2 4.14Å; Y253-V260 PolarHBondContact N-O 2.94Å; Y253-V260 VanDerWaalsContact N-O 3.1Å; Y253-V260 PolarHBondContact O-N 3.19Å; Y253-W261 VanDerWaalsContact CE1-O 3.32Å; Y253-W261 WeakPolarHBondContact CE1-O 3.33Å
254V93.7Very high84.6Confident88 Ų8876 Ų7653%0.53341%0.408SS..EExtended strand (participates in β ladder)trans-93.9105.3175.8-173.80000108.7A405V254-A405 HydrophobicContact CG2-CB 3.9Å
255G91.4Very high86Confident25 Ų2584 Ų8426%0.25844%0.439SS..EExtended strand (participates in β ladder)trans-93.5-170.3172.100000112.5V257 G258G255-V257 PolarHBondContact O-N 3.35Å; G255-G258 PolarHBondContact N-O 3.49Å; G255-G258 PolarHBondContact O-N 3.5Å
256E91.8Very high87.6Confident206 Ų20678.4 Ų78.496%0.96342%0.424SS*.THydrogen-bonded Turntrans-59.5-31.3-178.2-59.6-175.9164.500113.6
257V93.7Very high89.2Confident101 Ų10182.2 Ų82.261%0.61243%0.429SS*.THydrogen-bonded Turntrans-95.614.5177.5-62.30000113.1G255 V260 N571G255-V257 PolarHBondContact O-N 3.35Å; V257-V260 HydrophobicContact CG2-CG1 3.81Å; V257-N571 HydrophobicContact CG2-CB 4.42Å; V257-N571 PolarHBondContact O-ND2 3.42Å
258G94.9Very high91Very high20 Ų2073.8 Ų73.821%0.20639%0.393CS..EExtended strand (participates in β ladder)trans87.9-148.9-173.400000112.5G255 V260G255-G258 PolarHBondContact N-O 3.49Å; G255-G258 PolarHBondContact O-N 3.5Å; G258-V260 PolarHBondContact O-N 3.42Å
259P97.1Very high92.3Very high11 Ų1170.5 Ų70.57%0.07138%0.376CS..EExtended strand (participates in β ladder)trans-60.8133.8-174.5-24.936.4000112.8I252 Y253 Y564 Q567 A568 N571I252-P259 HydrophobicContact CG2-CB 3.97Å; Y253-P259 CarbonylContact O-C 3.59Å; Y253-P259 WeakPolarHBondContact O-CA 3.45Å; P259-Y564 HydrophobicContact CB-CD1 3.82Å; P259-Y564 HydrophobicContact CB-CE1 4.45Å; P259-Y564 HydrophobicContact CG-CD1 3.49Å; P259-Y564 VanDerWaalsContact CG-CD1 3.49Å; P259-Y564 HydrophobicContact CG-CE1 3.73Å; P259-Q567 HydrophobicContact CB-CB 3.87Å; P259-Q567 HydrophobicContact CG-CB 3.8Å; P259-A568 WeakPolarHBondContact O-CA 3.19Å; P259-N571 PolarHBondContact O-ND2 3.06Å
260V96.9Very high92.8Very high14 Ų1465.3 Ų65.39%0.08535%0.353CS..EExtended strand (participates in β ladder)trans-144.3149.8178.9-74.60000111.2I252 Y253 V257 G258 N571I252-V260 WeakPolarHBondContact CA-O 3.49Å; Y253-V260 HydrophobicContact CD1-CG2 4.12Å; Y253-V260 HydrophobicContact CD2-CG2 3.79Å; Y253-V260 HydrophobicContact CE1-CG2 3.73Å; Y253-V260 HydrophobicContact CE2-CG2 3.38Å; Y253-V260 HydrophobicContact CG-CG2 4.14Å; Y253-V260 PolarHBondContact N-O 2.94Å; Y253-V260 VanDerWaalsContact N-O 3.1Å; Y253-V260 PolarHBondContact O-N 3.19Å; V257-V260 HydrophobicContact CG2-CG1 3.81Å; G258-V260 PolarHBondContact O-N 3.42Å; V260-N571 HydrophobicContact CG1-CB 4.06Å
261W96.3Very high93Very high3 Ų368.6 Ų68.61%0.01137%0.37CS..EExtended strand (participates in β ladder)trans-64.5148.4171.9-68.4126.8000111.7L250 I252 Y253 Y263 I323 H359 P360 V361 I401 T565 A568 E569L250-W261 HydrophobicContact CB-CZ3 4.42Å; I252-W261 HydrophobicContact CD1-CE3 4.09Å; I252-W261 HydrophobicContact CD1-CH2 4.09Å; I252-W261 HydrophobicContact CD1-CZ3 3.66Å; I252-W261 HydrophobicContact CG1-CE3 3.61Å; I252-W261 HydrophobicContact CG1-CH2 4.47Å; I252-W261 HydrophobicContact CG1-CZ3 3.58Å; Y253-W261 VanDerWaalsContact CE1-O 3.32Å; Y253-W261 WeakPolarHBondContact CE1-O 3.33Å; W261-Y263 HydrophobicContact CB-CE2 4.43Å; W261-Y263 WeakPolarHBondContact O-CD2 3.47Å; W261-Y263 WeakPolarHBondContact O-CE2 3.38Å; W261-Y263 PolarHBondContact O-N 3.34Å; W261-I323 HydrophobicContact CZ2-CD1 4.36Å; W261-I323 HydrophobicContact CZ2-CG1 4.25Å; W261-H359 AromaticContact NE1-CE1 3.98Å; W261-P360 HydrophobicContact CB-CB 4.33Å; W261-P360 HydrophobicContact CB-CG 3.51Å; W261-P360 HydrophobicContact CG-CG 3.92Å; W261-V361 HydrophobicContact CD2-CG2 3.7Å; W261-V361 HydrophobicContact CE3-CG2 3.64Å; W261-V361 HydrophobicContact CG-CG2 4.32Å; W261-V361 HydrophobicContact CH2-CG2 3.95Å; W261-V361 HydrophobicContact CZ2-CG2 4.02Å; W261-V361 HydrophobicContact CZ3-CG2 3.77Å; W261-I401 HydrophobicContact CH2-CD1 4.03Å; W261-I401 HydrophobicContact CZ3-CD1 4.5Å; W261-I401 HydrophobicContact CZ3-CG2 4.48Å; W261-T565 HydrophobicContact CH2-CG2 3.75Å; W261-T565 HydrophobicContact CZ2-CG2 3.95Å; W261-A568 HydrophobicContact CD2-CB 3.97Å; W261-A568 HydrophobicContact CE3-CB 4.47Å; W261-A568 HydrophobicContact CG-CB 4.16Å; W261-E569 PolarHBondContact NE1-OE2 2.71Å
262S93.5Very high93.3Very high72 Ų7267 Ų6750%0.50336%0.358SS..  trans-65.9113.4163.8-167.30000110.5S251 P360S251-S262 PolarHBondContact O-N 3.39Å; S262-P360 WeakPolarHBondContact O-CB 3.42Å
263Y92.4Very high93.2Very high79 Ų7968.2 Ų68.231%0.3137%0.369SS..  trans-88.9137.8177.4-71.6-92.9000110.8W261 P360 H572W261-Y263 HydrophobicContact CB-CE2 4.43Å; W261-Y263 WeakPolarHBondContact O-CD2 3.47Å; W261-Y263 WeakPolarHBondContact O-CE2 3.38Å; W261-Y263 PolarHBondContact O-N 3.34Å; Y263-P360 HydrophobicContact CD1-CB 4.08Å; Y263-P360 HydrophobicContact CD1-CG 3.95Å; Y263-P360 HydrophobicContact CE1-CB 4.45Å; Y263-P360 HydrophobicContact CE1-CG 3.82Å; Y263-P360 HydrophobicContact CG-CB 4.46Å; Y263-P360 HydrophobicContact CG-CG 4.48Å; Y263-H572 AromaticContact CE1-ND1 3.59Å; Y263-H572 AromaticContact CZ-ND1 3.63Å; Y263-H572 PolarHBondContact OH-ND1 3.14Å
264P90Very high93.1Very high56 Ų5667.2 Ų67.236%0.36437%0.37SS..  trans-68.8144.4175.729.7-35000111.2T266P264-T266 PolarHBondContact O-N 3.27Å
265E88.1Confident93Very high205 Ų20565.7 Ų65.796%0.95836%0.362SS*.SBendtrans-59.1-36.1175.8-63.3-177.9171.600112.3
266T86.6Confident93Very high101 Ų10169 Ų6962%0.6237%0.369SS*.SBendtrans-109.6115.5176.657.20000110.3P264P264-T266 PolarHBondContact O-N 3.27Å
267Q88.8Confident92.9Very high125 Ų12566 Ų6658%0.58435%0.353SS*.  trans-76.2130.7173.5-66.7-174.3300111N295Q267-N295 PolarHBondContact O-ND2 2.99Å; Q267-N295 VanDerWaalsContact O-ND2 3.13Å
268I92.3Very high92.5Very high22 Ų2261.6 Ų61.611%0.11333%0.329CS..  trans-77.5141.8168.3-56179.5000107.3N295 T296 C357 L372I268-N295 WeakPolarHBondContact CA-OD1 3.25Å; I268-T296 HydrophobicContact CG1-CG2 4Å; I268-C357 WeakPolarHBondContact O-CB 3.4Å; I268-L372 HydrophobicContact CG2-CD1 4.17Å
269D93.4Very high92Very high61 Ų6164.2 Ų64.233%0.32634%0.344SS..  trans-138.7157.3161.1-156.9-1.6000108.9P294 N295 S354D269-P294 WeakPolarHBondContact O-CA 3.44Å; D269-N295 VanDerWaalsContact N-CG 3.31Å; D269-N295 PolarHBondContact N-ND2 3.22Å; D269-N295 PolarHBondContact N-OD1 3.36Å; D269-N295 PolarHBondContact O-N 3.5Å; D269-N295 PolarHBondContact O-OD1 3.05Å; D269-S354 PolarHBondContact OD1-OG 3.3Å
270C94.6Very high91.1Very high1 Ų168.4 Ų68.41%0.00736%0.361CS..EExtended strand (participates in β ladder)trans-135.4127.1-173.8-71.80000111I292 T293 Q350 M353 L372C270-I292 HydrophobicContact CB-CG2 3.9Å; C270-T293 WeakPolarHBondContact CA-O 3.41Å; C270-Q350 PolarHBondContact O-NE2 3.07Å; C270-Q350 PolarHBondContact O-OE1 3.08Å; C270-M353 HydrophobicContact CB-CE 3.95Å; C270-L372 WeakPolarHBondContact SG-CD2 3.49Å
271I96.9Very high89.8Confident110 Ų11073 Ų7356%0.56438%0.382SS*.EExtended strand (participates in β ladder)trans-85.7128172.1-60.2173.4000108.8A273 I292 T293I271-A273 HydrophobicContact CG2-CB 4.04Å; I271-I292 CarbonylContact O-C 3.55Å; I271-I292 VanDerWaalsContact O-CA 3.32Å; I271-I292 WeakPolarHBondContact O-CA 3.19Å; I271-T293 PolarHBondContact N-O 3.4Å; I271-T293 PolarHBondContact O-N 2.75Å
272V96.7Very high88.6Confident6 Ų684.8 Ų84.84%0.03643%0.429CS..EExtended strand (participates in β ladder)trans-106.6108.5173.3-175.60000108.5Y290 Q291 M346 L349 Q350 M353V272-Y290 HydrophobicContact CG1-CG 4.42Å; V272-Q291 WeakPolarHBondContact CA-O 3.37Å; V272-M346 HydrophobicContact CG1-CG 4.33Å; V272-L349 HydrophobicContact CG1-CB 4.27Å; V272-Q350 HydrophobicContact CB-CB 4.26Å; V272-M353 HydrophobicContact CG2-CB 3.9Å; V272-M353 HydrophobicContact CG2-CG 3.62Å
273A94.6Very high87.5Confident28 Ų2883.2 Ų83.223%0.23142%0.424CS..EExtended strand (participates in β ladder)trans-142.9-170.9-170.400000112.5I271 Q291I271-A273 HydrophobicContact CG2-CB 4.04Å; A273-Q291 PolarHBondContact N-O 2.8Å; A273-Q291 PolarHBondContact O-N 2.94Å
274D90.9Very high86.5Confident77 Ų7786.6 Ų86.641%0.41245%0.446SS..EExtended strand (participates in β ladder)trans49.459.7168.2-80.714000115K276 Q291D274-K276 HydrophobicContact CB-CD 4.41Å; D274-K276 WeakPolarHBondContact O-CG 3.44Å; D274-K276 PolarHBondContact O-N 3.43Å; D274-K276 IonicContact OD2-NZ 2.65Å; D274-K276 PolarHBondContact OD2-NZ 2.91Å; D274-Q291 HydrophobicContact CB-CB 3.83Å; D274-Q291 PolarHBondContact OD2-OE1 2.77Å
275P92Very high86.1Confident56 Ų5689.9 Ų89.936%0.36446%0.455SS..EExtended strand (participates in β ladder)trans-66109.1179.628.1-32.7000110.2I288 E289 Y290 I342 M346P275-I288 HydrophobicContact CB-CG2 3.98Å; P275-E289 CarbonylContact C-O 3.59Å; P275-E289 WeakPolarHBondContact CA-O 3.5Å; P275-Y290 HydrophobicContact CB-CD1 4.13Å; P275-Y290 HydrophobicContact CB-CE1 4Å; P275-I342 HydrophobicContact CB-CG2 3.48Å; P275-I342 VanDerWaalsContact CB-CG2 3.48Å; P275-I342 HydrophobicContact CG-CG2 3.81Å; P275-M346 HydrophobicContact CG-SD 4Å
276K91.6Very high86Confident95 Ų9581.6 Ų81.641%0.41342%0.42SS..EExtended strand (participates in β ladder)trans-114.7139.2-174.6-74.2156.7-173156.80110.4D274 G278 I288 E289D274-K276 HydrophobicContact CB-CD 4.41Å; D274-K276 WeakPolarHBondContact O-CG 3.44Å; D274-K276 PolarHBondContact O-N 3.43Å; D274-K276 IonicContact OD2-NZ 2.65Å; D274-K276 PolarHBondContact OD2-NZ 2.91Å; K276-G278 PolarHBondContact O-N 3.31Å; K276-I288 WeakPolarHBondContact O-CA 3.44Å; K276-E289 PolarHBondContact N-O 3.22Å; K276-E289 PolarHBondContact O-N 3.11Å
277K89.3Confident86.2Confident142 Ų14278.9 Ų78.962%0.61740%0.398SS*.EExtended strand (participates in β ladder)trans-79.998.4176.3-172.4-179.7178.8-177.10110S286 Y287 I288K277-S286 VanDerWaalsContact CE-CB 3.48Å; K277-S286 VanDerWaalsContact CE-OG 3.28Å; K277-S286 WeakPolarHBondContact CE-OG 3.47Å; K277-Y287 CarbonylContact C-O 3.47Å; K277-Y287 WeakPolarHBondContact CA-O 3.39Å; K277-I288 HydrophobicContact CB-CD1 4.22Å
278G84.7Confident86.3Confident10 Ų1073.9 Ų73.910%0.10338%0.376CS..EExtended strand (participates in β ladder)trans-78.7156.5170.800000112.3K276 S286 Y287K276-G278 PolarHBondContact O-N 3.31Å; G278-S286 WeakPolarHBondContact O-CA 3.28Å; G278-Y287 PolarHBondContact N-O 3.34Å; G278-Y287 PolarHBondContact O-N 2.97Å
279S84.8Confident86.4Confident75 Ų7575.2 Ų75.252%0.52438%0.381SS..EExtended strand (participates in β ladder)trans-131.2146.8175.764.60000112K285S279-K285 CarbonylContact C-O 3.58Å; S279-K285 WeakPolarHBondContact CA-O 3.31Å
280K78Confident86.6Confident99 Ų9972.3 Ų72.343%0.4337%0.366SS..EExtended strand (participates in β ladder)trans-125.8162.1170.1-90.7175.2-179.7-121.20109.1Y282 G283 L284 K285 Y287K280-Y282 PolarHBondContact O-N 2.96Å; K280-G283 PolarHBondContact O-N 3.43Å; K280-L284 PolarHBondContact O-N 3.14Å; K280-K285 HydrophobicContact CB-CB 4.35Å; K280-K285 PolarHBondContact N-O 2.74Å; K280-K285 PolarHBondContact O-N 3.02Å; K280-K285 VanDerWaalsContact O-N 3.13Å; K280-Y287 HydrophobicContact CB-CE1 4.02Å; K280-Y287 HydrophobicContact CD-CE1 3.92Å; K280-Y287 HydrophobicContact CG-CE1 3.72Å
281M70.4Confident86.6Confident109 Ų10974.1 Ų74.154%0.53737%0.374SS..G310 helixtrans52.652.9178.4-63.9166.616500111.5G283 L284 K285M281-G283 PolarHBondContact O-N 3.45Å; M281-L284 HydrophobicContact CB-CB 3.97Å; M281-L284 VanDerWaalsContact O-CB 3.24Å; M281-L284 WeakPolarHBondContact O-CB 3.36Å; M281-L284 PolarHBondContact O-N 3.44Å; M281-K285 HydrophobicContact SD-CD 3.66Å; M281-K285 HydrophobicContact SD-CG 4.14Å
282Y71.7Confident86.6Confident252 Ų25268.9 Ų68.999%0.98835%0.347SS*.G310 helixtrans52.827.6179.5-61.7-83.5000115.7K280K280-Y282 PolarHBondContact O-N 2.96Å
283G70.8Confident86.6Confident38 Ų3870 Ų7039%0.39235%0.354SS..G310 helixtrans112.9-21.1179.600000114.1K280 M281 K285K280-G283 PolarHBondContact O-N 3.43Å; M281-G283 PolarHBondContact O-N 3.45Å; G283-K285 PolarHBondContact O-N 3.3Å; G283-K285 VanDerWaalsContact O-N 3.14Å
284L71.4Confident86.6Confident151 Ų15168.8 Ų68.879%0.79134%0.344SS*.THydrogen-bonded Turntrans-61.5-26.2-173.3-151.874000113.6K280 M281K280-L284 PolarHBondContact O-N 3.14Å; M281-L284 HydrophobicContact CB-CB 3.97Å; M281-L284 VanDerWaalsContact O-CB 3.24Å; M281-L284 WeakPolarHBondContact O-CB 3.36Å; M281-L284 PolarHBondContact O-N 3.44Å
285K81.2Confident86.7Confident125 Ų12568.6 Ų68.654%0.54334%0.342SS..EExtended strand (participates in β ladder)trans-125.8106173.4-66.3-175-176.3174.20110.8S279 K280 M281 G283S279-K285 CarbonylContact C-O 3.58Å; S279-K285 WeakPolarHBondContact CA-O 3.31Å; K280-K285 HydrophobicContact CB-CB 4.35Å; K280-K285 PolarHBondContact N-O 2.74Å; K280-K285 PolarHBondContact O-N 3.02Å; K280-K285 VanDerWaalsContact O-N 3.13Å; M281-K285 HydrophobicContact SD-CD 3.66Å; M281-K285 HydrophobicContact SD-CG 4.14Å; G283-K285 PolarHBondContact O-N 3.3Å; G283-K285 VanDerWaalsContact O-N 3.14Å
286S86Confident86.5Confident31 Ų3169.4 Ų69.422%0.21735%0.347CS..EExtended strand (participates in β ladder)trans-94.1146.2174.3-69.70000112.8K277 G278K277-S286 VanDerWaalsContact CE-CB 3.48Å; K277-S286 VanDerWaalsContact CE-OG 3.28Å; K277-S286 WeakPolarHBondContact CE-OG 3.47Å; G278-S286 WeakPolarHBondContact O-CA 3.28Å
287Y89.4Confident86.4Confident43 Ų4368 Ų6817%0.16935%0.346CS..EExtended strand (participates in β ladder)trans-151166.3178.152.5-83.9000111.1K277 G278 K280 E289 R304K277-Y287 CarbonylContact C-O 3.47Å; K277-Y287 WeakPolarHBondContact CA-O 3.39Å; G278-Y287 PolarHBondContact N-O 3.34Å; G278-Y287 PolarHBondContact O-N 2.97Å; K280-Y287 HydrophobicContact CB-CE1 4.02Å; K280-Y287 HydrophobicContact CD-CE1 3.92Å; K280-Y287 HydrophobicContact CG-CE1 3.72Å; Y287-E289 HydrophobicContact CD2-CG 3.73Å; Y287-E289 HydrophobicContact CE2-CG 3.43Å; Y287-E289 VanDerWaalsContact CE2-CG 3.43Å; Y287-E289 WeakPolarHBondContact CE2-OE1 3.4Å; Y287-R304 HydrophobicContact CD2-CB 3.62Å; Y287-R304 HydrophobicContact CD2-CG 4.3Å; Y287-R304 HydrophobicContact CE2-CB 4.08Å; Y287-R304 HydrophobicContact CE2-CG 4.5Å
288I92.3Very high86.4Confident21 Ų2167 Ų6711%0.10835%0.347CS..EExtended strand (participates in β ladder)trans-97.3131.5171.7-58-58000109.3P275 K276 K277 Y290 R304 F337 I342P275-I288 HydrophobicContact CB-CG2 3.98Å; K276-I288 WeakPolarHBondContact O-CA 3.44Å; K277-I288 HydrophobicContact CB-CD1 4.22Å; I288-Y290 HydrophobicContact CG2-CD1 4.49Å; I288-Y290 HydrophobicContact CG2-CE1 3.94Å; I288-Y290 HydrophobicContact CG2-CE2 4.06Å; I288-R304 VanDerWaalsContact O-CA 3.29Å; I288-R304 WeakPolarHBondContact O-CA 3.18Å; I288-R304 WeakPolarHBondContact O-CB 3.43Å; I288-F337 HydrophobicContact CD1-CD1 3.98Å; I288-F337 HydrophobicContact CD1-CE1 4.32Å; I288-F337 HydrophobicContact CG1-CD1 4.23Å; I288-F337 HydrophobicContact CG1-CE1 4.47Å; I288-I342 HydrophobicContact CD1-CD1 3.85Å; I288-I342 HydrophobicContact CG1-CD1 4Å; I288-I342 HydrophobicContact CG1-CG1 4.21Å
289E94.6Very high86.8Confident49 Ų4974.4 Ų74.423%0.22937%0.372CS..EExtended strand (participates in β ladder)trans-105.2140.9168.3-63.1-172.8130.900109.5P275 K276 Y287 R304P275-E289 CarbonylContact C-O 3.59Å; P275-E289 WeakPolarHBondContact CA-O 3.5Å; K276-E289 PolarHBondContact N-O 3.22Å; K276-E289 PolarHBondContact O-N 3.11Å; Y287-E289 HydrophobicContact CD2-CG 3.73Å; Y287-E289 HydrophobicContact CE2-CG 3.43Å; Y287-E289 VanDerWaalsContact CE2-CG 3.43Å; Y287-E289 WeakPolarHBondContact CE2-OE1 3.4Å; E289-R304 HydrophobicContact CG-CB 4.21Å
290Y96.2Very high87.3Confident1 Ų174 Ų740%0.00437%0.368CS..EExtended strand (participates in β ladder)trans-111.8137.6173.5-56.2-82.9000108.6V272 P275 I288 H303 F308 R345 M346 L349V272-Y290 HydrophobicContact CG1-CG 4.42Å; P275-Y290 HydrophobicContact CB-CD1 4.13Å; P275-Y290 HydrophobicContact CB-CE1 4Å; I288-Y290 HydrophobicContact CG2-CD1 4.49Å; I288-Y290 HydrophobicContact CG2-CE1 3.94Å; I288-Y290 HydrophobicContact CG2-CE2 4.06Å; Y290-H303 PolarHBondContact N-O 2.99Å; Y290-H303 PolarHBondContact O-N 3.18Å; Y290-F308 HydrophobicContact CD2-CE2 4.14Å; Y290-R345 WeakPolarHBondContact OH-CD 3.16Å; Y290-M346 HydrophobicContact CD1-CB 4.31Å; Y290-M346 HydrophobicContact CD1-CG 4.11Å; Y290-M346 HydrophobicContact CE1-CB 3.94Å; Y290-M346 HydrophobicContact CE1-CG 4.25Å; Y290-L349 HydrophobicContact CD2-CD1 3.84Å; Y290-L349 HydrophobicContact CE2-CD1 3.68Å; Y290-L349 HydrophobicContact CG-CD1 4.35Å
291Q96.1Very high88Confident39 Ų3969.8 Ų69.818%0.18235%0.351CS..EExtended strand (participates in β ladder)trans-86.6122.9174.9-166.2174.6-6100108.8V272 A273 D274 P300V272-Q291 WeakPolarHBondContact CA-O 3.37Å; A273-Q291 PolarHBondContact N-O 2.8Å; A273-Q291 PolarHBondContact O-N 2.94Å; D274-Q291 HydrophobicContact CB-CB 3.83Å; D274-Q291 PolarHBondContact OD2-OE1 2.77Å; Q291-P300 HydrophobicContact CG-CB 3.58Å
292I97Very high89.2Confident0 Ų067.6 Ų67.60%034%0.341CS..EExtended strand (participates in β ladder)trans-106.6124.9176.3-46.7-176.4000108.2C270 I271 P300 V301 H303 F308 M353 F371 L372C270-I292 HydrophobicContact CB-CG2 3.9Å; I271-I292 CarbonylContact O-C 3.55Å; I271-I292 VanDerWaalsContact O-CA 3.32Å; I271-I292 WeakPolarHBondContact O-CA 3.19Å; I292-P300 WeakPolarHBondContact O-CA 3.48Å; I292-V301 HydrophobicContact CB-CG2 4.04Å; I292-V301 PolarHBondContact N-O 3.46Å; I292-V301 PolarHBondContact O-N 3.31Å; I292-H303 HydrophobicContact CD1-CB 4.14Å; I292-F308 HydrophobicContact CD1-CE1 3.8Å; I292-F308 HydrophobicContact CD1-CE2 4.23Å; I292-F308 HydrophobicContact CD1-CZ 3.43Å; I292-F308 VanDerWaalsContact CD1-CZ 3.43Å; I292-F308 HydrophobicContact CG1-CZ 4.07Å; I292-M353 HydrophobicContact CG2-CE 4.45Å; I292-F371 HydrophobicContact CD1-CD1 4.18Å; I292-F371 HydrophobicContact CD1-CE1 3.29Å; I292-F371 HydrophobicContact CD1-CZ 3.78Å; I292-L372 HydrophobicContact CG2-CD2 3.92Å
293T96.2Very high90.3Very high30 Ų3055.6 Ų55.618%0.18429%0.294CS..EExtended strand (participates in β ladder)trans-123.7108.1-179.6-48.60000110C270 I271C270-T293 WeakPolarHBondContact CA-O 3.41Å; I271-T293 PolarHBondContact N-O 3.4Å; I271-T293 PolarHBondContact O-N 2.75Å
294P94.9Very high91.4Very high1 Ų156.6 Ų56.61%0.00629%0.286CS..EExtended strand (participates in β ladder)trans-74.3138.1175.3-14.229.4000112.3D269 T296 T297 N298 R299 L372D269-P294 WeakPolarHBondContact O-CA 3.44Å; P294-T296 VanDerWaalsContact C-N 3.25Å; P294-T296 PolarHBondContact O-N 3.02Å; P294-T297 PolarHBondContact O-N 3.49Å; P294-N298 WeakPolarHBondContact O-CA 3.31Å; P294-N298 PolarHBondContact O-N 2.75Å; P294-R299 WeakPolarHBondContact CD-O 3.24Å; P294-L372 HydrophobicContact CG-CB 3.98Å; P294-L372 HydrophobicContact CG-CD2 4.3Å
295N92.9Very high92.4Very high73 Ų7350.7 Ų50.739%0.3925%0.253SS..THydrogen-bonded Turntrans-60.5-31176.866.9-19000113.6Q267 I268 D269 N298Q267-N295 PolarHBondContact O-ND2 2.99Å; Q267-N295 VanDerWaalsContact O-ND2 3.13Å; I268-N295 WeakPolarHBondContact CA-OD1 3.25Å; D269-N295 VanDerWaalsContact N-CG 3.31Å; D269-N295 PolarHBondContact N-ND2 3.22Å; D269-N295 PolarHBondContact N-OD1 3.36Å; D269-N295 PolarHBondContact O-N 3.5Å; D269-N295 PolarHBondContact O-OD1 3.05Å; N295-N298 PolarHBondContact O-ND2 2.94Å
296T88.1Confident93Very high74 Ų7451.2 Ų51.245%0.45426%0.255SS..THydrogen-bonded Turntrans-73.6-31.7-177.751.60000114.1I268 P294I268-T296 HydrophobicContact CG1-CG2 4Å; P294-T296 VanDerWaalsContact C-N 3.25Å; P294-T296 PolarHBondContact O-N 3.02Å
297T88.3Confident93.5Very high66 Ų6651.5 Ų51.541%0.40525%0.253SS..THydrogen-bonded Turntrans-111.5-23.1-176.665.60000113.1P294 R299 T373P294-T297 PolarHBondContact O-N 3.49Å; T297-R299 PolarHBondContact O-N 2.89Å; T297-R299 VanDerWaalsContact O-N 3.09Å; T297-R299 PolarHBondContact OG1-N 2.77Å; T297-T373 HydrophobicContact CG2-CG2 4.25Å
298N90.4Very high93.8Very high119 Ų11949.5 Ų49.564%0.63625%0.245SC*.  trans49.328.3-169.6-63.2-73.5000113.1P294 N295P294-N298 WeakPolarHBondContact O-CA 3.31Å; P294-N298 PolarHBondContact O-N 2.75Å; N295-N298 PolarHBondContact O-ND2 2.94Å
299R92.5Very high94Very high167 Ų16749.5 Ų49.563%0.6325%0.246SC*.  trans-111.3111.5-174.6-140.7179.4-167.1-144.20.6109.1P294 T297P294-R299 WeakPolarHBondContact CD-O 3.24Å; T297-R299 PolarHBondContact O-N 2.89Å; T297-R299 VanDerWaalsContact O-N 3.09Å; T297-R299 PolarHBondContact OG1-N 2.77Å
300P94.1Very high94.2Very high67 Ų6748.1 Ų48.144%0.43524%0.239SC..  trans-73.7139.1-175.828-33.8000112Q291 I292Q291-P300 HydrophobicContact CG-CB 3.58Å; I292-P300 WeakPolarHBondContact O-CA 3.48Å
301V94.5Very high94.2Very high10 Ų1048.1 Ų48.16%0.06124%0.238CC..EExtended strand (participates in β ladder)trans-122.2152.1169.9-66.60000109.9I292 Y374I292-V301 HydrophobicContact CB-CG2 4.04Å; I292-V301 PolarHBondContact N-O 3.46Å; I292-V301 PolarHBondContact O-N 3.31Å; V301-Y374 HydrophobicContact CB-CD1 4.33Å; V301-Y374 HydrophobicContact CB-CE1 3.65Å; V301-Y374 HydrophobicContact CG1-CD1 4.13Å; V301-Y374 HydrophobicContact CG1-CE1 3.87Å; V301-Y374 HydrophobicContact CG2-CE1 4.39Å
302N94.4Very high94.3Very high63 Ų6347.6 Ų47.634%0.33724%0.235SC..EExtended strand (participates in β ladder)trans-113.9121.8-172.4-68.6-55.9000111.6Y374N302-Y374 PolarHBondContact N-OH 3.3Å; N302-Y374 PolarHBondContact O-OH 3.38Å
303H95.2Very high94.3Very high0 Ų051.6 Ų51.60%025%0.254CS..EExtended strand (participates in β ladder)trans-127.4122.5179.7-69.8-82.2000111.9Y290 I292 H307 F308 F371 Y374 W380Y290-H303 PolarHBondContact N-O 2.99Å; Y290-H303 PolarHBondContact O-N 3.18Å; I292-H303 HydrophobicContact CD1-CB 4.14Å; H303-H307 HydrophobicContact CB-CB 4.06Å; H303-H307 WeakPolarHBondContact ND1-CB 3.11Å; H303-H307 AromaticContact ND1-CG 3.83Å; H303-H307 AromaticContact ND1-ND1 3.55Å; H303-F308 HydrophobicContact CB-CD2 4.12Å; H303-F308 HydrophobicContact CB-CE2 3.67Å; H303-F308 HydrophobicContact CB-CZ 4.35Å; H303-F371 HydrophobicContact CB-CE2 4.34Å; H303-F371 HydrophobicContact CB-CZ 4.06Å; H303-F371 AromaticContact CD2-CZ 3.9Å; H303-F371 AromaticContact CE1-CD2 3.44Å; H303-F371 VanDerWaalsContact CE1-CD2 3.44Å; H303-F371 WeakPolarHBondContact CE1-CD2 3.42Å; H303-F371 AromaticContact CE1-CE2 3.5Å; H303-F371 VanDerWaalsContact CE1-CE2 3.5Å; H303-F371 WeakPolarHBondContact CE1-CE2 3.41Å; H303-F371 AromaticContact CE1-CG 3.99Å; H303-F371 AromaticContact CG-CE2 3.65Å; H303-F371 AromaticContact CG-CZ 3.62Å; H303-F371 AromaticContact ND1-CD2 3.71Å; H303-F371 AromaticContact ND1-CE2 3.25Å; H303-F371 VanDerWaalsContact ND1-CE2 3.25Å; H303-F371 WeakPolarHBondContact ND1-CE2 3.47Å; H303-F371 AromaticContact ND1-CZ 3.76Å; H303-F371 AromaticContact NE2-CD2 3.95Å; H303-F371 PolarHBondContact NE2-O 3.34Å; H303-Y374 AromaticContact CE1-CE1 3.65Å; H303-Y374 AromaticContact NE2-CE1 3.45Å; H303-Y374 WeakPolarHBondContact NE2-CE1 3.19Å; H303-W380 AromaticContact CE1-CZ3 3.9Å
304R93.5Very high94.3Very high58 Ų5852.5 Ų52.522%0.21925%0.254CS..EExtended strand (participates in β ladder)trans-71.5158.6160.765.8-175.7179.6152.13.9110.9Y287 I288 E289 K306 H307Y287-R304 HydrophobicContact CD2-CB 3.62Å; Y287-R304 HydrophobicContact CD2-CG 4.3Å; Y287-R304 HydrophobicContact CE2-CB 4.08Å; Y287-R304 HydrophobicContact CE2-CG 4.5Å; I288-R304 VanDerWaalsContact O-CA 3.29Å; I288-R304 WeakPolarHBondContact O-CA 3.18Å; I288-R304 WeakPolarHBondContact O-CB 3.43Å; E289-R304 HydrophobicContact CG-CB 4.21Å; R304-K306 VanDerWaalsContact C-N 3.26Å; R304-K306 HydrophobicContact CG-CB 4.47Å; R304-K306 PolarHBondContact O-N 3.04Å; R304-K306 VanDerWaalsContact O-N 3.09Å; R304-H307 PolarHBondContact NE-NE2 2.95Å; R304-H307 WeakPolarHBondContact O-CB 3.27Å; R304-H307 PolarHBondContact O-N 3.4Å
305Y93.7Very high94.4Very high27 Ų2752.4 Ų52.411%0.10625%0.253CS..Hα-helixtrans-48.5-40.6178.4-177-81.6000113.9H307 F308 D309 L328 P329 K331 R345Y305-H307 PolarHBondContact O-N 3.46Å; Y305-H307 VanDerWaalsContact O-N 3.1Å; Y305-F308 WeakPolarHBondContact O-CB 3.47Å; Y305-F308 PolarHBondContact O-N 3.26Å; Y305-D309 HydrophobicContact CE1-CB 4.24Å; Y305-D309 PolarHBondContact O-N 3.03Å; Y305-L328 WeakPolarHBondContact OH-CB 3.41Å; Y305-P329 VanDerWaalsContact CE2-O 3.26Å; Y305-P329 WeakPolarHBondContact CE2-O 3.44Å; Y305-P329 PolarHBondContact OH-O 3.22Å; Y305-K331 HydrophobicContact CE1-CD 4.42Å; Y305-K331 HydrophobicContact CE1-CG 3.63Å; Y305-R345 HydrophobicContact CD2-CG 4.48Å
306K93Very high94.6Very high136 Ų13651.6 Ų51.659%0.59125%0.249SC*.Hα-helixtrans-61.5-18.2176.9-173.2167.4-178.3175.60113.9R304 W310R304-K306 VanDerWaalsContact C-N 3.26Å; R304-K306 HydrophobicContact CG-CB 4.47Å; R304-K306 PolarHBondContact O-N 3.04Å; R304-K306 VanDerWaalsContact O-N 3.09Å; K306-W310 PolarHBondContact O-N 2.89Å
307H95.7Very high94.8Very high38 Ų3851.7 Ų51.718%0.17625%0.247CC..Hα-helixtrans-82.4-35.8173.5-57.6170.1000111.8H303 R304 Y305 L311 F371 W380H303-H307 HydrophobicContact CB-CB 4.06Å; H303-H307 WeakPolarHBondContact ND1-CB 3.11Å; H303-H307 AromaticContact ND1-CG 3.83Å; H303-H307 AromaticContact ND1-ND1 3.55Å; R304-H307 PolarHBondContact NE-NE2 2.95Å; R304-H307 WeakPolarHBondContact O-CB 3.27Å; R304-H307 PolarHBondContact O-N 3.4Å; Y305-H307 PolarHBondContact O-N 3.46Å; Y305-H307 VanDerWaalsContact O-N 3.1Å; H307-L311 PolarHBondContact O-N 3.13Å; H307-F371 HydrophobicContact CB-CE2 4.11Å; H307-F371 WeakPolarHBondContact O-CE2 3.35Å; H307-W380 HydrophobicContact CB-CZ2 4.38Å
308F97.3Very high95.1Very high0 Ų050.2 Ų50.20%024%0.235CC..Hα-helixtrans-63.1-44.9169.2-69.2-95.1000110.5Y290 I292 H303 Y305 W310 L311 Y312 L328 L349 W352 M353 F371Y290-F308 HydrophobicContact CD2-CE2 4.14Å; I292-F308 HydrophobicContact CD1-CE1 3.8Å; I292-F308 HydrophobicContact CD1-CE2 4.23Å; I292-F308 HydrophobicContact CD1-CZ 3.43Å; I292-F308 VanDerWaalsContact CD1-CZ 3.43Å; I292-F308 HydrophobicContact CG1-CZ 4.07Å; H303-F308 HydrophobicContact CB-CD2 4.12Å; H303-F308 HydrophobicContact CB-CE2 3.67Å; H303-F308 HydrophobicContact CB-CZ 4.35Å; Y305-F308 WeakPolarHBondContact O-CB 3.47Å; Y305-F308 PolarHBondContact O-N 3.26Å; F308-W310 VanDerWaalsContact C-N 3.35Å; F308-W310 PolarHBondContact O-N 3.33Å; F308-L311 WeakPolarHBondContact O-CB 3.47Å; F308-L311 PolarHBondContact O-N 3.4Å; F308-Y312 WeakPolarHBondContact O-CB 3.24Å; F308-Y312 PolarHBondContact O-N 2.89Å; F308-L328 VanDerWaalsContact C-CD1 3.49Å; F308-L328 HydrophobicContact CB-CD1 3.99Å; F308-L328 HydrophobicContact CB-CD2 4.25Å; F308-L328 WeakPolarHBondContact O-CD1 3.47Å; F308-L349 HydrophobicContact CB-CD2 4.41Å; F308-L349 HydrophobicContact CD1-CD2 3.89Å; F308-L349 HydrophobicContact CD2-CD1 4.45Å; F308-L349 HydrophobicContact CE1-CD2 4.2Å; F308-L349 HydrophobicContact CE2-CD1 4.24Å; F308-L349 HydrophobicContact CG-CD2 4.04Å; F308-L349 HydrophobicContact CZ-CD1 4.35Å; F308-W352 HydrophobicContact CD1-CZ3 4.41Å; F308-M353 HydrophobicContact CD1-SD 4.47Å; F308-M353 HydrophobicContact CE1-CG 3.88Å; F308-M353 HydrophobicContact CE1-SD 3.97Å; F308-F371 HydrophobicContact CD1-CE1 4.28Å; F308-F371 AromaticContact CD1-CZ 3.81Å; F308-F371 HydrophobicContact CD1-CZ 3.81Å; F308-F371 HydrophobicContact CD2-CZ 4.29Å; F308-F371 HydrophobicContact CE1-CE1 4.15Å; F308-F371 AromaticContact CE1-CZ 3.97Å; F308-F371 HydrophobicContact CE1-CZ 3.97Å; F308-F371 HydrophobicContact CE2-CZ 4.42Å; F308-F371 AromaticContact CG-CZ 4Å; F308-F371 HydrophobicContact CG-CZ 4Å; F308-F371 HydrophobicContact CZ-CZ 4.29Å
309D96.2Very high95.4Very high22 Ų2244.8 Ų44.812%0.11821%0.205CC..Hα-helixtrans-52.6-50.1176.1-162.449.1000112Y305 L311 Y312 E313 L328 K331Y305-D309 HydrophobicContact CE1-CB 4.24Å; Y305-D309 PolarHBondContact O-N 3.03Å; D309-L311 PolarHBondContact O-N 3.11Å; D309-Y312 PolarHBondContact O-N 3.21Å; D309-E313 WeakPolarHBondContact O-CG 3.14Å; D309-E313 PolarHBondContact O-N 3.43Å; D309-L328 HydrophobicContact CB-CD1 4.5Å; D309-K331 WeakPolarHBondContact OD1-CE 3.46Å; D309-K331 IonicContact OD1-NZ 3.14Å; D309-K331 PolarHBondContact OD1-NZ 3.39Å; D309-K331 WeakPolarHBondContact OD2-CE 3.49Å; D309-K331 IonicContact OD2-NZ 3.8Å; D309-K331 PolarHBondContact OD2-NZ 2.87Å
310W97.2Very high95.4Very high20 Ų2037.6 Ų37.68%0.07618%0.183CC..Hα-helixtrans-60.3-44.2173.3171.683.3000112.9K306 F308 E313 R314 V367 L370 W380 K384 A387 E388K306-W310 PolarHBondContact O-N 2.89Å; F308-W310 VanDerWaalsContact C-N 3.35Å; F308-W310 PolarHBondContact O-N 3.33Å; W310-E313 PolarHBondContact O-N 3.41Å; W310-R314 HydrophobicContact CD2-CG 4.06Å; W310-R314 HydrophobicContact CH2-CG 4.1Å; W310-R314 HydrophobicContact CZ2-CG 3.56Å; W310-R314 WeakPolarHBondContact O-CG 3.5Å; W310-R314 PolarHBondContact O-N 3.26Å; W310-V367 HydrophobicContact CH2-CG2 3.9Å; W310-V367 HydrophobicContact CZ3-CG2 4.29Å; W310-L370 HydrophobicContact CH2-CD2 4.32Å; W310-W380 HydrophobicContact CD2-CH2 4.47Å; W310-W380 AromaticContact CE3-CH2 3.57Å; W310-W380 HydrophobicContact CE3-CH2 3.57Å; W310-W380 HydrophobicContact CE3-CZ2 4.13Å; W310-W380 HydrophobicContact CE3-CZ3 4.47Å; W310-W380 HydrophobicContact CH2-CH2 4.3Å; W310-W380 AromaticContact CZ3-CH2 3.46Å; W310-W380 HydrophobicContact CZ3-CH2 3.46Å; W310-W380 VanDerWaalsContact CZ3-CH2 3.46Å; W310-W380 HydrophobicContact CZ3-CZ2 4.3Å; W310-W380 AromaticContact CZ3-CZ3 3.94Å; W310-W380 HydrophobicContact CZ3-CZ3 3.94Å; W310-K384 HydrophobicContact CH2-CB 4.35Å; W310-K384 HydrophobicContact CZ2-CB 3.9Å; W310-K384 HydrophobicContact CZ2-CD 4.48Å; W310-K384 HydrophobicContact CZ2-CG 3.65Å; W310-A387 HydrophobicContact CH2-CB 4.3Å; W310-A387 HydrophobicContact CZ2-CB 4.19Å; W310-E388 PolarHBondContact NE1-OE1 3.32Å
311L98Very high95.4Very high0 Ų035.3 Ų35.30%017%0.168CC..Hα-helixtrans-62.4-45.5178.3173.466.6000110.9H307 F308 D309 E313 R314 L315 W352 V367 F368 F371H307-L311 PolarHBondContact O-N 3.13Å; F308-L311 WeakPolarHBondContact O-CB 3.47Å; F308-L311 PolarHBondContact O-N 3.4Å; D309-L311 PolarHBondContact O-N 3.11Å; L311-E313 PolarHBondContact O-N 3.15Å; L311-R314 PolarHBondContact O-N 3.03Å; L311-L315 HydrophobicContact CD1-CD1 4.12Å; L311-L315 HydrophobicContact CD1-CD2 4.49Å; L311-L315 HydrophobicContact CD1-CG 4Å; L311-L315 HydrophobicContact CG-CD1 3.98Å; L311-L315 HydrophobicContact CG-CG 4.26Å; L311-L315 WeakPolarHBondContact O-CB 3.44Å; L311-L315 WeakPolarHBondContact O-CG 2.95Å; L311-L315 PolarHBondContact O-N 3.44Å; L311-W352 HydrophobicContact CD2-CH2 3.77Å; L311-W352 HydrophobicContact CD2-CZ3 3.89Å; L311-W352 HydrophobicContact CG-CH2 4.11Å; L311-V367 HydrophobicContact CD1-CG2 4.09Å; L311-F368 HydrophobicContact CD1-CD2 4.43Å; L311-F368 HydrophobicContact CD2-CD2 3.99Å; L311-F368 HydrophobicContact CD2-CE2 4.23Å; L311-F371 HydrophobicContact CB-CD2 4.07Å; L311-F371 HydrophobicContact CB-CE2 4.09Å; L311-F371 HydrophobicContact CD1-CB 4.36Å; L311-F371 HydrophobicContact CD2-CB 4.24Å; L311-F371 HydrophobicContact CD2-CD1 3.62Å; L311-F371 HydrophobicContact CD2-CD2 3.9Å; L311-F371 HydrophobicContact CD2-CE1 3.76Å; L311-F371 HydrophobicContact CD2-CE2 4.04Å; L311-F371 HydrophobicContact CD2-CG 3.69Å; L311-F371 HydrophobicContact CD2-CZ 3.98Å; L311-F371 HydrophobicContact CG-CD2 4.42Å
312Y97.6Very high95.3Very high28 Ų2834.9 Ų34.911%0.1117%0.166CC..Hα-helixtrans-57.1-47.1176.2165.2-96.5000111.3H171 F308 D309 R314 L315 L316 I325 P326 L328 W352H171-Y312 PolarHBondContact CE1-OH 2.98Å; H171-Y312 VanDerWaalsContact CE1-OH 3.32Å; F308-Y312 WeakPolarHBondContact O-CB 3.24Å; F308-Y312 PolarHBondContact O-N 2.89Å; D309-Y312 PolarHBondContact O-N 3.21Å; Y312-R314 PolarHBondContact O-N 3.36Å; Y312-L315 PolarHBondContact O-N 3.37Å; Y312-L316 HydrophobicContact CE1-CD2 4.23Å; Y312-L316 VanDerWaalsContact O-CB 3.3Å; Y312-L316 WeakPolarHBondContact O-CB 3.37Å; Y312-L316 PolarHBondContact O-N 3.48Å; Y312-I325 HydrophobicContact CD2-CG2 3.89Å; Y312-I325 HydrophobicContact CE2-CG2 4.01Å; Y312-P326 WeakPolarHBondContact CE2-O 3.5Å; Y312-L328 HydrophobicContact CD2-CG 4.38Å; Y312-L328 HydrophobicContact CG-CD1 4.1Å; Y312-L328 HydrophobicContact CG-CG 4.13Å; Y312-W352 HydrophobicContact CD2-CZ2 4.4Å
313E96.4Very high95.4Very high85 Ų8532 Ų3240%0.39715%0.15SC..Hα-helixtrans-60.1-44.1174.6-71.8176.3176.400112.3D309 W310 L311 L315 L316 D317D309-E313 WeakPolarHBondContact O-CG 3.14Å; D309-E313 PolarHBondContact O-N 3.43Å; W310-E313 PolarHBondContact O-N 3.41Å; L311-E313 PolarHBondContact O-N 3.15Å; E313-L315 PolarHBondContact O-N 2.84Å; E313-L316 PolarHBondContact O-N 3.12Å; E313-D317 WeakPolarHBondContact O-CB 3.31Å; E313-D317 PolarHBondContact O-N 3.2Å
314R97Very high95.4Very high48 Ų4832.2 Ų32.218%0.18115%0.152CC..Hα-helixtrans-65.5-37.8177.5-64.6-49.487.9-146.1-7112.3W310 L311 Y312 D317 K318 V367W310-R314 HydrophobicContact CD2-CG 4.06Å; W310-R314 HydrophobicContact CH2-CG 4.1Å; W310-R314 HydrophobicContact CZ2-CG 3.56Å; W310-R314 WeakPolarHBondContact O-CG 3.5Å; W310-R314 PolarHBondContact O-N 3.26Å; L311-R314 PolarHBondContact O-N 3.03Å; Y312-R314 PolarHBondContact O-N 3.36Å; R314-D317 IonicContact CZ-OD2 2.7Å; R314-D317 IonicContact NH1-OD2 3.63Å; R314-D317 PolarHBondContact NH1-OD2 3.06Å; R314-D317 IonicContact NH2-OD2 3.02Å; R314-D317 PolarHBondContact NH2-OD2 3.4Å; R314-K318 WeakPolarHBondContact O-CB 3.09Å; R314-K318 PolarHBondContact O-N 3.46Å; R314-V367 HydrophobicContact CB-CG2 3.91Å; R314-V367 HydrophobicContact CG-CG2 4.3Å
315L97.1Very high95.4Very high0 Ų029.5 Ų29.50%014%0.142CC..Hα-helixtrans-69-41.7176.4-70.9178.9000111.5L311 Y312 E313 K318 F319 I325 W352 M356 I362 V367L311-L315 HydrophobicContact CD1-CD1 4.12Å; L311-L315 HydrophobicContact CD1-CD2 4.49Å; L311-L315 HydrophobicContact CD1-CG 4Å; L311-L315 HydrophobicContact CG-CD1 3.98Å; L311-L315 HydrophobicContact CG-CG 4.26Å; L311-L315 WeakPolarHBondContact O-CB 3.44Å; L311-L315 WeakPolarHBondContact O-CG 2.95Å; L311-L315 PolarHBondContact O-N 3.44Å; Y312-L315 PolarHBondContact O-N 3.37Å; E313-L315 PolarHBondContact O-N 2.84Å; L315-K318 PolarHBondContact O-N 3.2Å; L315-F319 HydrophobicContact CD2-CD2 3.85Å; L315-F319 HydrophobicContact CD2-CE2 3.76Å; L315-F319 WeakPolarHBondContact O-CB 3.41Å; L315-F319 PolarHBondContact O-N 2.86Å; L315-I325 HydrophobicContact CB-CD1 4.43Å; L315-I325 HydrophobicContact CB-CG1 4.46Å; L315-I325 HydrophobicContact CB-CG2 4.08Å; L315-W352 HydrophobicContact CD1-CH2 3.92Å; L315-W352 HydrophobicContact CD1-CZ2 4.21Å; L315-M356 HydrophobicContact CD1-CG 4.48Å; L315-M356 HydrophobicContact CD1-SD 3.95Å; L315-I362 HydrophobicContact CD1-CG2 4Å; L315-I362 HydrophobicContact CD2-CG2 3.9Å; L315-V367 HydrophobicContact CD2-CG1 3.83Å
316L95.5Very high95.3Very high55 Ų5528.6 Ų28.629%0.28814%0.139SC..Hα-helixtrans-65.7-48.5177.3-173.767.9000111.3Y312 E313 K318 G320 I325Y312-L316 HydrophobicContact CE1-CD2 4.23Å; Y312-L316 VanDerWaalsContact O-CB 3.3Å; Y312-L316 WeakPolarHBondContact O-CB 3.37Å; Y312-L316 PolarHBondContact O-N 3.48Å; E313-L316 PolarHBondContact O-N 3.12Å; L316-K318 VanDerWaalsContact C-N 3.3Å; L316-K318 PolarHBondContact O-N 2.95Å; L316-G320 WeakPolarHBondContact O-CA 3.39Å; L316-G320 PolarHBondContact O-N 3.36Å; L316-I325 HydrophobicContact CD1-CB 4.26Å
317D93.8Very high95.2Very high77 Ų7724.4 Ų24.441%0.41213%0.127SC..Hα-helixtrans-56.7-44.6174.8-81.2-7.9000111.1E313 R314 V393 G394E313-D317 WeakPolarHBondContact O-CB 3.31Å; E313-D317 PolarHBondContact O-N 3.2Å; R314-D317 IonicContact CZ-OD2 2.7Å; R314-D317 IonicContact NH1-OD2 3.63Å; R314-D317 PolarHBondContact NH1-OD2 3.06Å; R314-D317 IonicContact NH2-OD2 3.02Å; R314-D317 PolarHBondContact NH2-OD2 3.4Å; D317-V393 WeakPolarHBondContact O-CB 3.26Å; D317-G394 PolarHBondContact O-N 2.9Å
318K94.3Very high95.1Very high35 Ų3523.5 Ų23.515%0.15212%0.123CC..Hα-helixtrans-76.2-46-176-175.3161.8-176.1155.80113.7R314 L315 L316 D390 T392 V393 I397R314-K318 WeakPolarHBondContact O-CB 3.09Å; R314-K318 PolarHBondContact O-N 3.46Å; L315-K318 PolarHBondContact O-N 3.2Å; L316-K318 VanDerWaalsContact C-N 3.3Å; L316-K318 PolarHBondContact O-N 2.95Å; K318-D390 WeakPolarHBondContact CE-OD2 3.34Å; K318-D390 IonicContact NZ-OD2 2.71Å; K318-D390 PolarHBondContact NZ-OD2 3.24Å; K318-T392 PolarHBondContact NZ-OG1 3.27Å; K318-V393 HydrophobicContact CB-CG1 4.27Å; K318-I397 HydrophobicContact CG-CD1 4.16Å
319F95.7Very high94.7Very high4 Ų424.4 Ų24.42%0.01813%0.129CC..Hα-helixtrans-115-15.2-165.5-60.6-71.9000114.7L315 S321 A322 I323 I325 V361 I397L315-F319 HydrophobicContact CD2-CD2 3.85Å; L315-F319 HydrophobicContact CD2-CE2 3.76Å; L315-F319 WeakPolarHBondContact O-CB 3.41Å; L315-F319 PolarHBondContact O-N 2.86Å; F319-S321 PolarHBondContact O-N 3.2Å; F319-A322 WeakPolarHBondContact O-CA 3.42Å; F319-A322 PolarHBondContact O-N 3.35Å; F319-I323 HydrophobicContact CB-CB 4.25Å; F319-I323 HydrophobicContact CB-CD1 4.25Å; F319-I323 HydrophobicContact CD1-CD1 4.02Å; F319-I323 HydrophobicContact CG-CD1 4.36Å; F319-I323 PolarHBondContact O-N 3.43Å; F319-I325 HydrophobicContact CB-CD1 4.18Å; F319-V361 HydrophobicContact CD1-CG1 4.16Å; F319-V361 HydrophobicContact CE1-CG1 3.64Å; F319-V361 HydrophobicContact CZ-CG1 4.29Å; F319-I397 HydrophobicContact CD1-CD1 4Å; F319-I397 HydrophobicContact CD1-CG1 3.96Å; F319-I397 HydrophobicContact CE1-CD1 3.81Å; F319-I397 HydrophobicContact CE1-CG1 4.24Å
320G93.6Very high93.9Very high16 Ų1629.7 Ų29.717%0.16516%0.158CC..THydrogen-bonded Turntrans-60.1-20.6-170.400000116L316 A322 T524L316-G320 WeakPolarHBondContact O-CA 3.39Å; L316-G320 PolarHBondContact O-N 3.36Å; G320-A322 VanDerWaalsContact C-N 3.27Å; G320-A322 PolarHBondContact O-N 3.45Å; G320-T524 PolarHBondContact O-OG1 2.93Å; G320-T524 VanDerWaalsContact O-OG1 3.04Å
321S92.9Very high93.2Very high19 Ų1933.9 Ų33.913%0.13318%0.176CC..THydrogen-bonded Turntrans-72.6-15.7171.5-62.50000114.2F319 G394 V395 F398 H528F319-S321 PolarHBondContact O-N 3.2Å; S321-G394 VanDerWaalsContact OG-C 3.3Å; S321-G394 WeakPolarHBondContact OG-CA 3.44Å; S321-V395 PolarHBondContact OG-N 2.82Å; S321-F398 WeakPolarHBondContact O-CZ 3.35Å; S321-H528 PolarHBondContact O-NE2 3.5Å
322A94.1Very high92.2Very high1 Ų137.8 Ų37.81%0.00820%0.195CC..THydrogen-bonded Turntrans-128.1-32.7-171.800000113.8F319 G320 I397 F398 T565F319-A322 WeakPolarHBondContact O-CA 3.42Å; F319-A322 PolarHBondContact O-N 3.35Å; G320-A322 VanDerWaalsContact C-N 3.27Å; G320-A322 PolarHBondContact O-N 3.45Å; A322-I397 HydrophobicContact CB-CG2 3.78Å; A322-F398 HydrophobicContact CB-CE1 3.71Å; A322-F398 HydrophobicContact CB-CZ 3.85Å; A322-T565 HydrophobicContact CB-CG2 3.8Å
323I96.3Very high90.6Very high2 Ų241.8 Ų41.81%0.0122%0.222CC..SBendtrans-131128.6-173.4-60.9165.3000109.2W261 F319 I325 H359 V361 I362W261-I323 HydrophobicContact CZ2-CD1 4.36Å; W261-I323 HydrophobicContact CZ2-CG1 4.25Å; F319-I323 HydrophobicContact CB-CB 4.25Å; F319-I323 HydrophobicContact CB-CD1 4.25Å; F319-I323 HydrophobicContact CD1-CD1 4.02Å; F319-I323 HydrophobicContact CG-CD1 4.36Å; F319-I323 PolarHBondContact O-N 3.43Å; I323-I325 HydrophobicContact CB-CD1 4.42Å; I323-I325 HydrophobicContact CG2-CD1 4.01Å; I323-I325 PolarHBondContact O-N 3.11Å; I323-H359 VanDerWaalsContact CG2-NE2 3.29Å; I323-H359 WeakPolarHBondContact CG2-NE2 3.49Å; I323-V361 HydrophobicContact CD1-CB 3.82Å; I323-V361 HydrophobicContact CD1-CG1 3.82Å; I323-V361 HydrophobicContact CD1-CG2 4.26Å; I323-I362 HydrophobicContact CG2-CD1 4.07Å
324P94.2Very high89.3Confident6 Ų643.4 Ų43.44%0.03924%0.238CC..  trans-61.3114.1170.7-23.434.2000112.3P326 C520 F521 E569P324-P326 WeakPolarHBondContact O-CD 3.36Å; P324-C520 HydrophobicContact CB-CB 3.94Å; P324-F521 HydrophobicContact CB-CE2 4.39Å; P324-F521 HydrophobicContact CG-CD1 3.99Å; P324-F521 HydrophobicContact CG-CD2 4.11Å; P324-F521 HydrophobicContact CG-CE1 3.62Å; P324-F521 HydrophobicContact CG-CE2 3.78Å; P324-F521 HydrophobicContact CG-CG 4.24Å; P324-F521 HydrophobicContact CG-CZ 3.53Å; P324-E569 VanDerWaalsContact CD-CG 3.49Å; P324-E569 HydrophobicContact CG-CG 4.41Å
325I94.9Very high88.4Confident1 Ų142 Ų421%0.00524%0.238CC..  trans-102105.1175.5-51.7-57.1000108.7Y312 L315 L316 F319 I323 I362 C520Y312-I325 HydrophobicContact CD2-CG2 3.89Å; Y312-I325 HydrophobicContact CE2-CG2 4.01Å; L315-I325 HydrophobicContact CB-CD1 4.43Å; L315-I325 HydrophobicContact CB-CG1 4.46Å; L315-I325 HydrophobicContact CB-CG2 4.08Å; L316-I325 HydrophobicContact CD1-CB 4.26Å; F319-I325 HydrophobicContact CB-CD1 4.18Å; I323-I325 HydrophobicContact CB-CD1 4.42Å; I323-I325 HydrophobicContact CG2-CD1 4.01Å; I323-I325 PolarHBondContact O-N 3.11Å; I325-I362 HydrophobicContact CD1-CD1 3.5Å; I325-I362 VanDerWaalsContact CD1-CD1 3.5Å; I325-I362 HydrophobicContact CD1-CG1 4.36Å; I325-C520 PolarHBondContact O-SG 2.92Å
326P91.2Very high87.5Confident7 Ų746.9 Ų46.95%0.04526%0.256CS..PPolyproline II helixtrans-67.9143.1-175.228.3-33.5000111.4Y312 P324 W352 M356 L517Y312-P326 WeakPolarHBondContact CE2-O 3.5Å; P324-P326 WeakPolarHBondContact O-CD 3.36Å; P326-W352 PolarHBondContact O-NE1 3.49Å; P326-M356 HydrophobicContact CG-CE 3.98Å; P326-L517 HydrophobicContact CB-CD2 3.88Å; P326-L517 HydrophobicContact CB-CG 4.21Å; P326-L517 HydrophobicContact CG-CD2 3.77Å; P326-L517 HydrophobicContact CG-CG 4.48Å
327S89.8Confident86.9Confident48 Ų4848.3 Ų48.334%0.33626%0.26SS..PPolyproline II helixtrans-58147.3176.7-58.80000112.9
328L93.1Very high86.6Confident19 Ų1949.7 Ų49.710%0.09926%0.264CS..PPolyproline II helixtrans-71.8161.5170.5-71.4171000112.6Y305 F308 D309 Y312 L349 W352Y305-L328 WeakPolarHBondContact OH-CB 3.41Å; F308-L328 VanDerWaalsContact C-CD1 3.49Å; F308-L328 HydrophobicContact CB-CD1 3.99Å; F308-L328 HydrophobicContact CB-CD2 4.25Å; F308-L328 WeakPolarHBondContact O-CD1 3.47Å; D309-L328 HydrophobicContact CB-CD1 4.5Å; Y312-L328 HydrophobicContact CD2-CG 4.38Å; Y312-L328 HydrophobicContact CG-CD1 4.1Å; Y312-L328 HydrophobicContact CG-CG 4.13Å; L328-L349 HydrophobicContact CD2-CD2 3.98Å; L328-W352 HydrophobicContact CD2-CD2 3.6Å; L328-W352 HydrophobicContact CD2-CE3 4.08Å; L328-W352 HydrophobicContact CD2-CG 3.84Å; L328-W352 HydrophobicContact CD2-CZ2 4.13Å
329P89.6Confident86.3Confident19 Ų1955.5 Ų55.512%0.12329%0.292CS..SBendtrans-67.3141176.1-1732.6000112Y305 R348 L349Y305-P329 VanDerWaalsContact CE2-O 3.26Å; Y305-P329 WeakPolarHBondContact CE2-O 3.44Å; Y305-P329 PolarHBondContact OH-O 3.22Å; P329-R348 HydrophobicContact CB-CB 3.93Å; P329-R348 HydrophobicContact CG-CB 3.36Å; P329-L349 HydrophobicContact CG-CD2 4.34Å; P329-L349 HydrophobicContact CG-CG 4.42Å
330D79.9Confident85.8Confident133 Ų13362.2 Ų62.271%0.71132%0.323SS*.PPolyproline II helixtrans-48.6146.4-165.1-68.6-50.6000117.7Q332 R345D330-Q332 PolarHBondContact O-N 3.3Å; D330-R345 PolarHBondContact O-NH2 3.04Å
331K82Confident85.5Confident108 Ų10862 Ų6247%0.4732%0.318SS..  trans-75.685.1172.2-73.4174.8178.2170.90111Y305 D309Y305-K331 HydrophobicContact CE1-CD 4.42Å; Y305-K331 HydrophobicContact CE1-CG 3.63Å; D309-K331 WeakPolarHBondContact OD1-CE 3.46Å; D309-K331 IonicContact OD1-NZ 3.14Å; D309-K331 PolarHBondContact OD1-NZ 3.39Å; D309-K331 WeakPolarHBondContact OD2-CE 3.49Å; D309-K331 IonicContact OD2-NZ 3.8Å; D309-K331 PolarHBondContact OD2-NZ 2.87Å
332Q76.9Confident85.4Confident82 Ų8262.3 Ų62.338%0.38332%0.318SS..  trans-82.6131.8170.2-145.4178.6-69.300111.9D330 T334 F341D330-Q332 PolarHBondContact O-N 3.3Å; Q332-T334 WeakPolarHBondContact CG-O 3.28Å; Q332-T334 PolarHBondContact NE2-O 3.14Å; Q332-F341 HydrophobicContact CB-CD2 4.32Å; Q332-F341 HydrophobicContact CB-CE1 4.06Å; Q332-F341 HydrophobicContact CB-CE2 3.45Å; Q332-F341 VanDerWaalsContact CB-CE2 3.45Å; Q332-F341 HydrophobicContact CB-CZ 3.28Å; Q332-F341 HydrophobicContact CG-CE2 4.11Å; Q332-F341 HydrophobicContact CG-CZ 4.34Å
333V63.8Low85.2Confident112 Ų11268.9 Ų68.968%0.67935%0.346SS*.  trans-97.6-54.8179-179.30000110.7
334T70.3Confident84.8Confident120 Ų12072.3 Ų72.374%0.73636%0.363SS*.THydrogen-bonded Turntrans-72145.4172-46.60000110.4Q332 R336Q332-T334 WeakPolarHBondContact CG-O 3.28Å; Q332-T334 PolarHBondContact NE2-O 3.14Å; T334-R336 PolarHBondContact O-N 3.12Å; T334-R336 VanDerWaalsContact O-N 3.1Å
335G77Confident84.7Confident17 Ų1773 Ų7318%0.17537%0.365CS..THydrogen-bonded Turntrans66.78.7178.400000115.4F337 E338G335-F337 PolarHBondContact O-N 3.05Å; G335-E338 VanDerWaalsContact CA-CD 3.41Å; G335-E338 WeakPolarHBondContact CA-OE1 3.16Å; G335-E338 VanDerWaalsContact O-CB 3.31Å; G335-E338 WeakPolarHBondContact O-CB 3.39Å; G335-E338 WeakPolarHBondContact O-CG 3.36Å; G335-E338 PolarHBondContact O-N 3.06Å
336R77.9Confident84.7Confident104 Ų10475.3 Ų75.339%0.39238%0.376SS..THydrogen-bonded Turntrans-61.2-5.6-175.873.8-179-175-157.5-4.6116.2T334 F341T334-R336 PolarHBondContact O-N 3.12Å; T334-R336 VanDerWaalsContact O-N 3.1Å; R336-F341 HydrophobicContact CB-CE1 4.42Å
337F84.4Confident84.8Confident84 Ų8478.3 Ų78.337%0.36839%0.39SS..THydrogen-bonded Turntrans-115.43.5178-58.6-60.4000112.9I288 G335I288-F337 HydrophobicContact CD1-CD1 3.98Å; I288-F337 HydrophobicContact CD1-CE1 4.32Å; I288-F337 HydrophobicContact CG1-CD1 4.23Å; I288-F337 HydrophobicContact CG1-CE1 4.47Å; G335-F337 PolarHBondContact O-N 3.05Å
338E86.9Confident85Confident107 Ų10779.8 Ų79.850%0.539%0.388SS..  trans-69.4140.3174-68.2163.5-165.200110G335 F341 I342G335-E338 VanDerWaalsContact CA-CD 3.41Å; G335-E338 WeakPolarHBondContact CA-OE1 3.16Å; G335-E338 VanDerWaalsContact O-CB 3.31Å; G335-E338 WeakPolarHBondContact O-CB 3.39Å; G335-E338 WeakPolarHBondContact O-CG 3.36Å; G335-E338 PolarHBondContact O-N 3.06Å; E338-F341 HydrophobicContact CB-CB 4.12Å; E338-F341 PolarHBondContact O-N 3.32Å; E338-I342 WeakPolarHBondContact O-CG1 3.41Å; E338-I342 PolarHBondContact O-N 3.13Å
339E87.3Confident85.1Confident156 Ų15678.9 Ų78.973%0.72938%0.383SS*.Hα-helixtrans-66.3-43.2-172.4-170.8179.2156.200111.5F341 I342 K343E339-F341 VanDerWaalsContact C-N 3.29Å; E339-F341 PolarHBondContact O-N 3.34Å; E339-I342 PolarHBondContact O-N 2.75Å; E339-K343 VanDerWaalsContact O-CB 3.3Å; E339-K343 WeakPolarHBondContact O-CB 3.48Å; E339-K343 PolarHBondContact O-N 3.22Å
340E85.6Confident85.4Confident145 Ų14580.3 Ų80.368%0.67839%0.388SS*.Hα-helixtrans-58.2-42.4175.5-65.978.9-177.600111.4M344E340-M344 WeakPolarHBondContact O-CB 3.22Å; E340-M344 PolarHBondContact O-N 3.32Å
341F87.8Confident86.1Confident13 Ų1375.5 Ų75.56%0.05737%0.369CS..Hα-helixtrans-68.2-45.9178.5178.2-103000111.9Q332 R336 E338 E339 K343 M344 R345Q332-F341 HydrophobicContact CB-CD2 4.32Å; Q332-F341 HydrophobicContact CB-CE1 4.06Å; Q332-F341 HydrophobicContact CB-CE2 3.45Å; Q332-F341 VanDerWaalsContact CB-CE2 3.45Å; Q332-F341 HydrophobicContact CB-CZ 3.28Å; Q332-F341 HydrophobicContact CG-CE2 4.11Å; Q332-F341 HydrophobicContact CG-CZ 4.34Å; R336-F341 HydrophobicContact CB-CE1 4.42Å; E338-F341 HydrophobicContact CB-CB 4.12Å; E338-F341 PolarHBondContact O-N 3.32Å; E339-F341 VanDerWaalsContact C-N 3.29Å; E339-F341 PolarHBondContact O-N 3.34Å; F341-K343 VanDerWaalsContact C-N 3.31Å; F341-K343 PolarHBondContact O-N 3.12Å; F341-M344 HydrophobicContact CD2-CE 4.06Å; F341-M344 HydrophobicContact CE2-CE 4.43Å; F341-M344 PolarHBondContact O-N 3.44Å; F341-R345 VanDerWaalsContact CZ-CZ 3.41Å; F341-R345 VanDerWaalsContact O-CB 3.31Å; F341-R345 WeakPolarHBondContact O-CB 3.39Å; F341-R345 PolarHBondContact O-N 2.82Å
342I89.7Confident86.8Confident25 Ų2570.9 Ų70.913%0.12835%0.349CS..Hα-helixtrans-59.3-44.9176.6-70.5169.9000110.2P275 I288 E338 E339 R345 M346P275-I342 HydrophobicContact CB-CG2 3.48Å; P275-I342 VanDerWaalsContact CB-CG2 3.48Å; P275-I342 HydrophobicContact CG-CG2 3.81Å; I288-I342 HydrophobicContact CD1-CD1 3.85Å; I288-I342 HydrophobicContact CG1-CD1 4Å; I288-I342 HydrophobicContact CG1-CG1 4.21Å; E338-I342 WeakPolarHBondContact O-CG1 3.41Å; E338-I342 PolarHBondContact O-N 3.13Å; E339-I342 PolarHBondContact O-N 2.75Å; I342-R345 PolarHBondContact O-N 2.98Å; I342-M346 VanDerWaalsContact O-CB 3.31Å; I342-M346 WeakPolarHBondContact O-CB 3.46Å; I342-M346 PolarHBondContact O-N 2.62Å
343K89.9Confident87.8Confident138 Ų13867 Ų6760%0.633%0.331SS*.Hα-helixtrans-63-52179.4-176177.8178.3177.80112.1E339 F341 R345 M346 E347E339-K343 VanDerWaalsContact O-CB 3.3Å; E339-K343 WeakPolarHBondContact O-CB 3.48Å; E339-K343 PolarHBondContact O-N 3.22Å; F341-K343 VanDerWaalsContact C-N 3.31Å; F341-K343 PolarHBondContact O-N 3.12Å; K343-R345 VanDerWaalsContact C-N 3.32Å; K343-R345 PolarHBondContact O-N 3.24Å; K343-M346 PolarHBondContact O-N 2.76Å; K343-E347 PolarHBondContact O-N 2.97Å
344M88.9Confident89.3Confident74 Ų7462.1 Ų62.137%0.36530%0.302SS..Hα-helixtrans-59.9-41.4177.9179.5-178.56100111.8E340 F341 R348E340-M344 WeakPolarHBondContact O-CB 3.22Å; E340-M344 PolarHBondContact O-N 3.32Å; F341-M344 HydrophobicContact CD2-CE 4.06Å; F341-M344 HydrophobicContact CE2-CE 4.43Å; F341-M344 PolarHBondContact O-N 3.44Å; M344-R348 WeakPolarHBondContact O-CG 3.34Å; M344-R348 PolarHBondContact O-N 2.86Å; M344-R348 VanDerWaalsContact O-N 3.14Å
345R92.6Very high90.5Very high22 Ų2257 Ų578%0.08327%0.269CS..Hα-helixtrans-65.2-43175.6176.2178.3-89.9173.3-5111.6Y290 Y305 D330 F341 I342 K343 R348 L349Y290-R345 WeakPolarHBondContact OH-CD 3.16Å; Y305-R345 HydrophobicContact CD2-CG 4.48Å; D330-R345 PolarHBondContact O-NH2 3.04Å; F341-R345 VanDerWaalsContact CZ-CZ 3.41Å; F341-R345 VanDerWaalsContact O-CB 3.31Å; F341-R345 WeakPolarHBondContact O-CB 3.39Å; F341-R345 PolarHBondContact O-N 2.82Å; I342-R345 PolarHBondContact O-N 2.98Å; K343-R345 VanDerWaalsContact C-N 3.32Å; K343-R345 PolarHBondContact O-N 3.24Å; R345-R348 PolarHBondContact O-N 2.96Å; R345-L349 HydrophobicContact CG-CD1 3.91Å; R345-L349 HydrophobicContact CG-CG 4.23Å; R345-L349 WeakPolarHBondContact O-CB 3.47Å; R345-L349 VanDerWaalsContact O-CG 3.27Å; R345-L349 WeakPolarHBondContact O-CG 3.48Å; R345-L349 PolarHBondContact O-N 2.87Å
346M93.9Very high91.4Very high48 Ų4856.3 Ų56.324%0.23626%0.262CS..Hα-helixtrans-62.3-44.7178.9-172.617772.200111.6V272 P275 Y290 I342 K343 R348 L349 Q350V272-M346 HydrophobicContact CG1-CG 4.33Å; P275-M346 HydrophobicContact CG-SD 4Å; Y290-M346 HydrophobicContact CD1-CB 4.31Å; Y290-M346 HydrophobicContact CD1-CG 4.11Å; Y290-M346 HydrophobicContact CE1-CB 3.94Å; Y290-M346 HydrophobicContact CE1-CG 4.25Å; I342-M346 VanDerWaalsContact O-CB 3.31Å; I342-M346 WeakPolarHBondContact O-CB 3.46Å; I342-M346 PolarHBondContact O-N 2.62Å; K343-M346 PolarHBondContact O-N 2.76Å; M346-R348 PolarHBondContact O-N 2.84Å; M346-L349 PolarHBondContact O-N 3.02Å; M346-Q350 WeakPolarHBondContact O-CB 3.44Å; M346-Q350 PolarHBondContact O-N 3.47Å
347E93.2Very high92.3Very high71 Ų7151.5 Ų51.533%0.33224%0.244SC..Hα-helixtrans-57.9-46.8175.6-179.2175.9-167.700111.9K343 Q350 G351 H505K343-E347 PolarHBondContact O-N 2.97Å; E347-Q350 WeakPolarHBondContact O-CB 3.36Å; E347-Q350 PolarHBondContact O-N 3.23Å; E347-G351 PolarHBondContact O-N 2.78Å; E347-H505 IonicContact OE1-CD2 2.67Å; E347-H505 IonicContact OE1-CE1 2.66Å; E347-H505 IonicContact OE1-NE2 2.64Å; E347-H505 PolarHBondContact OE1-NE2 3.35Å; E347-H505 IonicContact OE2-CE1 3.81Å; E347-H505 IonicContact OE2-NE2 3.49Å; E347-H505 PolarHBondContact OE2-NE2 3.08Å
348R94.2Very high92.7Very high78 Ų7851.1 Ų51.129%0.29424%0.24SC..Hα-helixtrans-72-31.7178.1-65.3177168.5174.5-2.5113.4P329 M344 R345 M346 G351 W352 E509P329-R348 HydrophobicContact CB-CB 3.93Å; P329-R348 HydrophobicContact CG-CB 3.36Å; M344-R348 WeakPolarHBondContact O-CG 3.34Å; M344-R348 PolarHBondContact O-N 2.86Å; M344-R348 VanDerWaalsContact O-N 3.14Å; R345-R348 PolarHBondContact O-N 2.96Å; M346-R348 PolarHBondContact O-N 2.84Å; R348-G351 PolarHBondContact O-N 3.46Å; R348-W352 WeakPolarHBondContact O-CB 3.48Å; R348-W352 PolarHBondContact O-N 3.33Å; R348-E509 WeakPolarHBondContact CG-OE2 3.24Å; R348-E509 IonicContact CZ-OE1 3.47Å; R348-E509 IonicContact CZ-OE2 3.08Å; R348-E509 IonicContact NE-OE1 3.24Å; R348-E509 IonicContact NE-OE2 2.78Å; R348-E509 PolarHBondContact NE-OE2 3.42Å; R348-E509 IonicContact NH2-OE1 3.75Å; R348-E509 PolarHBondContact NH2-OE1 3.45Å; R348-E509 IonicContact NH2-OE2 2.74Å; R348-E509 PolarHBondContact NH2-OE2 3.29Å
349L96.2Very high93.2Very high0 Ų046.3 Ų46.30%022%0.217CC..Hα-helixtrans-67.6-35.4171-74.5175.6000111.7V272 Y290 F308 L328 P329 R345 M346 M353V272-L349 HydrophobicContact CG1-CB 4.27Å; Y290-L349 HydrophobicContact CD2-CD1 3.84Å; Y290-L349 HydrophobicContact CE2-CD1 3.68Å; Y290-L349 HydrophobicContact CG-CD1 4.35Å; F308-L349 HydrophobicContact CB-CD2 4.41Å; F308-L349 HydrophobicContact CD1-CD2 3.89Å; F308-L349 HydrophobicContact CD2-CD1 4.45Å; F308-L349 HydrophobicContact CE1-CD2 4.2Å; F308-L349 HydrophobicContact CE2-CD1 4.24Å; F308-L349 HydrophobicContact CG-CD2 4.04Å; F308-L349 HydrophobicContact CZ-CD1 4.35Å; L328-L349 HydrophobicContact CD2-CD2 3.98Å; P329-L349 HydrophobicContact CG-CD2 4.34Å; P329-L349 HydrophobicContact CG-CG 4.42Å; R345-L349 HydrophobicContact CG-CD1 3.91Å; R345-L349 HydrophobicContact CG-CG 4.23Å; R345-L349 WeakPolarHBondContact O-CB 3.47Å; R345-L349 VanDerWaalsContact O-CG 3.27Å; R345-L349 WeakPolarHBondContact O-CG 3.48Å; R345-L349 PolarHBondContact O-N 2.87Å; M346-L349 PolarHBondContact O-N 3.02Å; L349-M353 WeakPolarHBondContact O-CB 3.46Å; L349-M353 WeakPolarHBondContact O-CG 3.45Å; L349-M353 PolarHBondContact O-N 2.74Å
350Q95.8Very high93.6Very high50 Ų5039.5 Ų39.523%0.23419%0.186CC..Hα-helixtrans-62-47.9171.4176.462.275.400110.9C270 V272 M346 E347 W352 M353 S354C270-Q350 PolarHBondContact O-NE2 3.07Å; C270-Q350 PolarHBondContact O-OE1 3.08Å; V272-Q350 HydrophobicContact CB-CB 4.26Å; M346-Q350 WeakPolarHBondContact O-CB 3.44Å; M346-Q350 PolarHBondContact O-N 3.47Å; E347-Q350 WeakPolarHBondContact O-CB 3.36Å; E347-Q350 PolarHBondContact O-N 3.23Å; Q350-W352 PolarHBondContact O-N 2.84Å; Q350-M353 PolarHBondContact O-N 3.12Å; Q350-S354 PolarHBondContact NE2-OG 3.46Å; Q350-S354 PolarHBondContact O-N 2.84Å; Q350-S354 PolarHBondContact O-OG 3.1Å
351G94.6Very high94.1Very high31 Ų3133.1 Ų33.132%0.3216%0.157SC..Hα-helixtrans-56.9-50.1175.100000112.5E347 R348 M353 S354 R355E347-G351 PolarHBondContact O-N 2.78Å; R348-G351 PolarHBondContact O-N 3.46Å; G351-M353 PolarHBondContact O-N 3.06Å; G351-S354 PolarHBondContact O-N 3.37Å; G351-R355 PolarHBondContact O-N 3.23Å
352W96.3Very high94.5Very high11 Ų1132.5 Ų32.54%0.04216%0.155CC..Hα-helixtrans-58.9-46.2177-171.793.6000112.3F308 L311 Y312 L315 P326 L328 R348 Q350 R355 M356F308-W352 HydrophobicContact CD1-CZ3 4.41Å; L311-W352 HydrophobicContact CD2-CH2 3.77Å; L311-W352 HydrophobicContact CD2-CZ3 3.89Å; L311-W352 HydrophobicContact CG-CH2 4.11Å; Y312-W352 HydrophobicContact CD2-CZ2 4.4Å; L315-W352 HydrophobicContact CD1-CH2 3.92Å; L315-W352 HydrophobicContact CD1-CZ2 4.21Å; P326-W352 PolarHBondContact O-NE1 3.49Å; L328-W352 HydrophobicContact CD2-CD2 3.6Å; L328-W352 HydrophobicContact CD2-CE3 4.08Å; L328-W352 HydrophobicContact CD2-CG 3.84Å; L328-W352 HydrophobicContact CD2-CZ2 4.13Å; R348-W352 WeakPolarHBondContact O-CB 3.48Å; R348-W352 PolarHBondContact O-N 3.33Å; Q350-W352 PolarHBondContact O-N 2.84Å; W352-R355 PolarHBondContact O-N 3.23Å; W352-M356 HydrophobicContact CD2-CG 3.99Å; W352-M356 HydrophobicContact CE3-CG 3.89Å; W352-M356 HydrophobicContact CH2-CG 3.74Å; W352-M356 HydrophobicContact CH2-SD 4.35Å; W352-M356 HydrophobicContact CZ2-CG 3.83Å; W352-M356 HydrophobicContact CZ2-SD 4.01Å; W352-M356 HydrophobicContact CZ3-CG 3.77Å; W352-M356 WeakPolarHBondContact O-CG 3.46Å; W352-M356 PolarHBondContact O-N 2.87Å
353M96.9Very high94.8Very high0 Ų031.5 Ų31.50%015%0.15CC..Hα-helixtrans-61.1-49177.3-83.4-56.5-50.200112.1C270 V272 I292 F308 L349 Q350 G351 R355 M356 C357 F368 F371 L372C270-M353 HydrophobicContact CB-CE 3.95Å; V272-M353 HydrophobicContact CG2-CB 3.9Å; V272-M353 HydrophobicContact CG2-CG 3.62Å; I292-M353 HydrophobicContact CG2-CE 4.45Å; F308-M353 HydrophobicContact CD1-SD 4.47Å; F308-M353 HydrophobicContact CE1-CG 3.88Å; F308-M353 HydrophobicContact CE1-SD 3.97Å; L349-M353 WeakPolarHBondContact O-CB 3.46Å; L349-M353 WeakPolarHBondContact O-CG 3.45Å; L349-M353 PolarHBondContact O-N 2.74Å; Q350-M353 PolarHBondContact O-N 3.12Å; G351-M353 PolarHBondContact O-N 3.06Å; M353-R355 VanDerWaalsContact C-N 3.25Å; M353-R355 PolarHBondContact O-N 3.2Å; M353-M356 PolarHBondContact O-N 3.42Å; M353-M356 VanDerWaalsContact O-N 3.16Å; M353-C357 WeakPolarHBondContact O-CB 3.32Å; M353-C357 PolarHBondContact O-N 3.34Å; M353-C357 PolarHBondContact O-SG 3.02Å; M353-F368 HydrophobicContact CE-CE2 3.82Å; M353-F368 HydrophobicContact CE-CZ 3.51Å; M353-F368 HydrophobicContact SD-CE2 4.27Å; M353-F368 HydrophobicContact SD-CZ 4.49Å; M353-F371 HydrophobicContact SD-CE1 4.08Å; M353-L372 HydrophobicContact CE-CD2 3.74Å
354S95.3Very high94.9Very high11 Ų1127.6 Ų27.68%0.07715%0.149CC..Hα-helixtrans-62-32.8178.1-67.80000112.1D269 Q350 G351 R358D269-S354 PolarHBondContact OD1-OG 3.3Å; Q350-S354 PolarHBondContact NE2-OG 3.46Å; Q350-S354 PolarHBondContact O-N 2.84Å; Q350-S354 PolarHBondContact O-OG 3.1Å; G351-S354 PolarHBondContact O-N 3.37Å; S354-R358 WeakPolarHBondContact O-CB 3.17Å; S354-R358 WeakPolarHBondContact O-CD 3.35Å; S354-R358 WeakPolarHBondContact O-CG 3.37Å; S354-R358 PolarHBondContact O-N 3.39Å
355R95.6Very high95.1Very high13 Ų1324.7 Ų24.75%0.04914%0.136CC..Hα-helixtrans-64.5-46.9172.6-170.762.860.5-171.64.5112.1G351 W352 M353 C357 R358 H359 E513 N576 D580G351-R355 PolarHBondContact O-N 3.23Å; W352-R355 PolarHBondContact O-N 3.23Å; M353-R355 VanDerWaalsContact C-N 3.25Å; M353-R355 PolarHBondContact O-N 3.2Å; R355-C357 VanDerWaalsContact C-N 3.35Å; R355-R358 PolarHBondContact O-N 3Å; R355-H359 PolarHBondContact O-N 2.86Å; R355-E513 IonicContact CZ-OE1 3Å; R355-E513 VanDerWaalsContact CZ-OE1 3.24Å; R355-E513 IonicContact CZ-OE2 2.75Å; R355-E513 IonicContact NE-OE1 3.74Å; R355-E513 PolarHBondContact NE-OE1 3.46Å; R355-E513 IonicContact NH2-OE1 2.66Å; R355-E513 PolarHBondContact NH2-OE1 2.81Å; R355-E513 IonicContact NH2-OE2 3.76Å; R355-E513 PolarHBondContact NH2-OE2 3.42Å; R355-N576 PolarHBondContact NH1-OD1 3.04Å; R355-D580 IonicContact CZ-OD2 2.79Å; R355-D580 VanDerWaalsContact CZ-OD2 3.28Å; R355-D580 IonicContact NH1-OD2 2.7Å; R355-D580 PolarHBondContact NH1-OD2 3.18Å; R355-D580 IonicContact NH2-OD2 2.85Å; R355-D580 PolarHBondContact NH2-OD2 3.33Å
356M96.5Very high95.2Very high2 Ų228.3 Ų28.31%0.0116%0.157CC..Hα-helixtrans-66.1-36.8178.3-61.1-60.790.800112.2L315 P326 W352 M353 H359 I362 F368L315-M356 HydrophobicContact CD1-CG 4.48Å; L315-M356 HydrophobicContact CD1-SD 3.95Å; P326-M356 HydrophobicContact CG-CE 3.98Å; W352-M356 HydrophobicContact CD2-CG 3.99Å; W352-M356 HydrophobicContact CE3-CG 3.89Å; W352-M356 HydrophobicContact CH2-CG 3.74Å; W352-M356 HydrophobicContact CH2-SD 4.35Å; W352-M356 HydrophobicContact CZ2-CG 3.83Å; W352-M356 HydrophobicContact CZ2-SD 4.01Å; W352-M356 HydrophobicContact CZ3-CG 3.77Å; W352-M356 WeakPolarHBondContact O-CG 3.46Å; W352-M356 PolarHBondContact O-N 2.87Å; M353-M356 PolarHBondContact O-N 3.42Å; M353-M356 VanDerWaalsContact O-N 3.16Å; M356-H359 PolarHBondContact O-N 2.88Å; M356-I362 HydrophobicContact CB-CG2 4.04Å; M356-I362 HydrophobicContact CE-CD1 3.98Å; M356-I362 HydrophobicContact SD-CD1 3.67Å; M356-I362 HydrophobicContact SD-CG2 4.03Å; M356-F368 HydrophobicContact CB-CD2 4.34Å; M356-F368 HydrophobicContact CB-CE2 3.46Å; M356-F368 VanDerWaalsContact CB-CE2 3.46Å; M356-F368 HydrophobicContact CB-CZ 3.59Å; M356-F368 HydrophobicContact CG-CE2 4.26Å
357C96Very high95.3Very high2 Ų226.5 Ų26.51%0.01415%0.149CC..Hα-helixtrans-65.5-38.5175.2-75.90000113.5I268 M353 R355 H359 S363I268-C357 WeakPolarHBondContact O-CB 3.4Å; M353-C357 WeakPolarHBondContact O-CB 3.32Å; M353-C357 PolarHBondContact O-N 3.34Å; M353-C357 PolarHBondContact O-SG 3.02Å; R355-C357 VanDerWaalsContact C-N 3.35Å; C357-H359 VanDerWaalsContact C-N 3.34Å; C357-S363 WeakPolarHBondContact O-CB 3.49Å
358R94.6Very high95.4Very high77 Ų7723.1 Ų23.129%0.29113%0.133SC..Hα-helixtrans-74.9-20.3177.5-71.8169.9-166.3166.69113.8S354 R355S354-R358 WeakPolarHBondContact O-CB 3.17Å; S354-R358 WeakPolarHBondContact O-CD 3.35Å; S354-R358 WeakPolarHBondContact O-CG 3.37Å; S354-R358 PolarHBondContact O-N 3.39Å; R355-R358 PolarHBondContact O-N 3Å
359H97.1Very high95.5Very high6 Ų622.1 Ų22.13%0.02813%0.131CC..SBendtrans-78.5119.8-179.1-173.4-54000110.8W261 I323 R355 M356 C357 V361 I362 S363 E569 H572W261-H359 AromaticContact NE1-CE1 3.98Å; I323-H359 VanDerWaalsContact CG2-NE2 3.29Å; I323-H359 WeakPolarHBondContact CG2-NE2 3.49Å; R355-H359 PolarHBondContact O-N 2.86Å; M356-H359 PolarHBondContact O-N 2.88Å; C357-H359 VanDerWaalsContact C-N 3.34Å; H359-V361 PolarHBondContact ND1-N 2.92Å; H359-V361 VanDerWaalsContact ND1-N 3.14Å; H359-V361 PolarHBondContact O-N 3.29Å; H359-I362 HydrophobicContact CB-CB 4.11Å; H359-I362 HydrophobicContact CB-CD1 4.05Å; H359-I362 HydrophobicContact CB-CG1 4.24Å; H359-I362 PolarHBondContact ND1-N 3Å; H359-I362 PolarHBondContact O-N 3.29Å; H359-S363 VanDerWaalsContact O-CB 3.28Å; H359-S363 WeakPolarHBondContact O-CB 3.38Å; H359-S363 PolarHBondContact O-N 2.91Å; H359-S363 PolarHBondContact O-OG 2.79Å; H359-S363 VanDerWaalsContact O-OG 3.07Å; H359-E569 IonicContact CD2-OE1 2.84Å; H359-E569 IonicContact CE1-OE2 2.76Å; H359-E569 IonicContact NE2-OE1 3.28Å; H359-E569 IonicContact NE2-OE2 3.66Å; H359-E569 PolarHBondContact NE2-OE2 3.09Å; H359-H572 AromaticContact CD2-CD2 3.6Å; H359-H572 AromaticContact CD2-NE2 3.62Å; H359-H572 AromaticContact CG-NE2 3.9Å
360P95.2Very high95.5Very high12 Ų1223.2 Ų23.28%0.07814%0.137CC..Hα-helixtrans-62-40.3-170.722.4-33.3000114.5W261 S262 Y263 S363 G364W261-P360 HydrophobicContact CB-CB 4.33Å; W261-P360 HydrophobicContact CB-CG 3.51Å; W261-P360 HydrophobicContact CG-CG 3.92Å; S262-P360 WeakPolarHBondContact O-CB 3.42Å; Y263-P360 HydrophobicContact CD1-CB 4.08Å; Y263-P360 HydrophobicContact CD1-CG 3.95Å; Y263-P360 HydrophobicContact CE1-CB 4.45Å; Y263-P360 HydrophobicContact CE1-CG 3.82Å; Y263-P360 HydrophobicContact CG-CB 4.46Å; Y263-P360 HydrophobicContact CG-CG 4.48Å; P360-S363 PolarHBondContact O-OG 3.41Å; P360-G364 PolarHBondContact O-N 3.18Å
361V95.9Very high95.5Very high11 Ų1120.8 Ų20.87%0.06713%0.126CC..Hα-helixtrans-72.4-47.4177.6-178.60000112.8L250 W261 F319 I323 H359 S365L250-V361 HydrophobicContact CD1-CG1 3.57Å; L250-V361 HydrophobicContact CD1-CG2 4.43Å; L250-V361 HydrophobicContact CD2-CG1 3.97Å; L250-V361 HydrophobicContact CD2-CG2 4.41Å; L250-V361 HydrophobicContact CG-CG1 4.42Å; W261-V361 HydrophobicContact CD2-CG2 3.7Å; W261-V361 HydrophobicContact CE3-CG2 3.64Å; W261-V361 HydrophobicContact CG-CG2 4.32Å; W261-V361 HydrophobicContact CH2-CG2 3.95Å; W261-V361 HydrophobicContact CZ2-CG2 4.02Å; W261-V361 HydrophobicContact CZ3-CG2 3.77Å; F319-V361 HydrophobicContact CD1-CG1 4.16Å; F319-V361 HydrophobicContact CE1-CG1 3.64Å; F319-V361 HydrophobicContact CZ-CG1 4.29Å; I323-V361 HydrophobicContact CD1-CB 3.82Å; I323-V361 HydrophobicContact CD1-CG1 3.82Å; I323-V361 HydrophobicContact CD1-CG2 4.26Å; H359-V361 PolarHBondContact ND1-N 2.92Å; H359-V361 VanDerWaalsContact ND1-N 3.14Å; H359-V361 PolarHBondContact O-N 3.29Å; V361-S365 PolarHBondContact O-N 3.48Å
362I96.4Very high95.6Very high0 Ų019.4 Ų19.40%011%0.111CC..Hα-helixtrans-66.4-46.8-177.5-59.6173.6000110.5L315 I323 I325 M356 H359 G364 S365 F368L315-I362 HydrophobicContact CD1-CG2 4Å; L315-I362 HydrophobicContact CD2-CG2 3.9Å; I323-I362 HydrophobicContact CG2-CD1 4.07Å; I325-I362 HydrophobicContact CD1-CD1 3.5Å; I325-I362 VanDerWaalsContact CD1-CD1 3.5Å; I325-I362 HydrophobicContact CD1-CG1 4.36Å; M356-I362 HydrophobicContact CB-CG2 4.04Å; M356-I362 HydrophobicContact CE-CD1 3.98Å; M356-I362 HydrophobicContact SD-CD1 3.67Å; M356-I362 HydrophobicContact SD-CG2 4.03Å; H359-I362 HydrophobicContact CB-CB 4.11Å; H359-I362 HydrophobicContact CB-CD1 4.05Å; H359-I362 HydrophobicContact CB-CG1 4.24Å; H359-I362 PolarHBondContact ND1-N 3Å; H359-I362 PolarHBondContact O-N 3.29Å; I362-G364 VanDerWaalsContact C-N 3.29Å; I362-G364 PolarHBondContact O-N 2.98Å; I362-S365 VanDerWaalsContact O-CB 3.31Å; I362-S365 WeakPolarHBondContact O-CB 3.31Å; I362-S365 PolarHBondContact O-N 2.8Å; I362-S365 PolarHBondContact O-OG 2.89Å; I362-F368 HydrophobicContact CG2-CD2 4.2Å; I362-F368 HydrophobicContact CG2-CG 4.3Å; I362-F368 VanDerWaalsContact O-CB 3.31Å; I362-F368 WeakPolarHBondContact O-CB 3.3Å
363S95.2Very high95.5Very high4 Ų421.6 Ų21.63%0.02813%0.126CC..Hα-helixtrans-61.3-37.9-17874.50000112.2C357 H359 P360 S365 Q369C357-S363 WeakPolarHBondContact O-CB 3.49Å; H359-S363 VanDerWaalsContact O-CB 3.28Å; H359-S363 WeakPolarHBondContact O-CB 3.38Å; H359-S363 PolarHBondContact O-N 2.91Å; H359-S363 PolarHBondContact O-OG 2.79Å; H359-S363 VanDerWaalsContact O-OG 3.07Å; P360-S363 PolarHBondContact O-OG 3.41Å; S363-S365 VanDerWaalsContact C-N 3.3Å; S363-S365 PolarHBondContact O-N 3.32Å; S363-Q369 PolarHBondContact O-NE2 2.98Å
364G92.6Very high95.3Very high57 Ų5723.9 Ų23.959%0.58814%0.135SC*.THydrogen-bonded Turntrans-77.1-4.6174.700000115.6P360 I362P360-G364 PolarHBondContact O-N 3.18Å; I362-G364 VanDerWaalsContact C-N 3.29Å; I362-G364 PolarHBondContact O-N 2.98Å
365S94.1Very high95.1Very high12 Ų1231 Ų318%0.08417%0.165CC..  trans-78.3139.5-172.674.70000113.7V361 I362 S363 V367 F368 Q369V361-S365 PolarHBondContact O-N 3.48Å; I362-S365 VanDerWaalsContact O-CB 3.31Å; I362-S365 WeakPolarHBondContact O-CB 3.31Å; I362-S365 PolarHBondContact O-N 2.8Å; I362-S365 PolarHBondContact O-OG 2.89Å; S363-S365 VanDerWaalsContact C-N 3.3Å; S363-S365 PolarHBondContact O-N 3.32Å; S365-V367 PolarHBondContact O-N 2.92Å; S365-V367 VanDerWaalsContact O-N 3.11Å; S365-F368 PolarHBondContact O-N 3.39Å; S365-F368 WeakPolarHBondContact OG-CB 3.32Å; S365-Q369 PolarHBondContact O-N 3.03Å
366D93.8Very high94.9Very high98 Ų9834.6 Ų34.652%0.52418%0.184SC..Hα-helixtrans-45.7-42.2176.1-104.722.3000114L370 K386D366-L370 VanDerWaalsContact O-CB 3.29Å; D366-L370 WeakPolarHBondContact O-CB 3.4Å; D366-L370 PolarHBondContact O-N 3.01Å; D366-K386 IonicContact OD2-NZ 3.6Å; D366-K386 PolarHBondContact OD2-NZ 3.25Å
367V95.4Very high94.6Very high11 Ų1140.4 Ų40.47%0.06721%0.212CC..Hα-helixtrans-72.7-36.3-176.764.70000112.2W310 L311 R314 L315 S365 F371 A387W310-V367 HydrophobicContact CH2-CG2 3.9Å; W310-V367 HydrophobicContact CZ3-CG2 4.29Å; L311-V367 HydrophobicContact CD1-CG2 4.09Å; R314-V367 HydrophobicContact CB-CG2 3.91Å; R314-V367 HydrophobicContact CG-CG2 4.3Å; L315-V367 HydrophobicContact CD2-CG1 3.83Å; S365-V367 PolarHBondContact O-N 2.92Å; S365-V367 VanDerWaalsContact O-N 3.11Å; V367-F371 PolarHBondContact O-N 2.92Å; V367-A387 HydrophobicContact CB-CB 4.21Å; V367-A387 HydrophobicContact CG2-CB 3.77Å
368F96.6Very high94.6Very high0 Ų047.9 Ų47.90%024%0.244CC..Hα-helixtrans-76.2-41.4176.5-167.4-105.9000111.2L311 M353 M356 I362 S365 L370 F371 L372L311-F368 HydrophobicContact CD1-CD2 4.43Å; L311-F368 HydrophobicContact CD2-CD2 3.99Å; L311-F368 HydrophobicContact CD2-CE2 4.23Å; M353-F368 HydrophobicContact CE-CE2 3.82Å; M353-F368 HydrophobicContact CE-CZ 3.51Å; M353-F368 HydrophobicContact SD-CE2 4.27Å; M353-F368 HydrophobicContact SD-CZ 4.49Å; M356-F368 HydrophobicContact CB-CD2 4.34Å; M356-F368 HydrophobicContact CB-CE2 3.46Å; M356-F368 VanDerWaalsContact CB-CE2 3.46Å; M356-F368 HydrophobicContact CB-CZ 3.59Å; M356-F368 HydrophobicContact CG-CE2 4.26Å; I362-F368 HydrophobicContact CG2-CD2 4.2Å; I362-F368 HydrophobicContact CG2-CG 4.3Å; I362-F368 VanDerWaalsContact O-CB 3.31Å; I362-F368 WeakPolarHBondContact O-CB 3.3Å; S365-F368 PolarHBondContact O-N 3.39Å; S365-F368 WeakPolarHBondContact OG-CB 3.32Å; F368-L370 VanDerWaalsContact C-N 3.35Å; F368-L370 PolarHBondContact O-N 3.36Å; F368-F371 WeakPolarHBondContact O-CB 3.2Å; F368-F371 PolarHBondContact O-N 3.36Å; F368-F371 VanDerWaalsContact O-N 3.15Å; F368-L372 HydrophobicContact CD1-CD1 3.92Å; F368-L372 HydrophobicContact CD1-CG 4.42Å; F368-L372 HydrophobicContact CE1-CD1 3.59Å; F368-L372 HydrophobicContact CE1-CG 4.28Å; F368-L372 HydrophobicContact CZ-CD1 4.26Å; F368-L372 WeakPolarHBondContact O-CG 3.4Å; F368-L372 PolarHBondContact O-N 3.49Å
369Q95.3Very high94.5Very high56 Ų5647 Ų4726%0.26225%0.245SC..Hα-helixtrans-61.5-40.7174.3-72.9-60.5-45.400112.4S363 S365 F371 L372 T373S363-Q369 PolarHBondContact O-NE2 2.98Å; S365-Q369 PolarHBondContact O-N 3.03Å; Q369-F371 VanDerWaalsContact C-N 3.34Å; Q369-F371 PolarHBondContact O-N 3.3Å; Q369-L372 PolarHBondContact O-N 2.86Å; Q369-T373 WeakPolarHBondContact O-CB 3.36Å; Q369-T373 PolarHBondContact O-N 3.28Å; Q369-T373 PolarHBondContact O-OG1 2.88Å
370L95.8Very high94.4Very high23 Ų2348.1 Ų48.112%0.1225%0.249CC..Hα-helixtrans-56.3-48.7171.3172.171.3000111.5W310 D366 F368 L372 T373 Y374 W380 G383W310-L370 HydrophobicContact CH2-CD2 4.32Å; D366-L370 VanDerWaalsContact O-CB 3.29Å; D366-L370 WeakPolarHBondContact O-CB 3.4Å; D366-L370 PolarHBondContact O-N 3.01Å; F368-L370 VanDerWaalsContact C-N 3.35Å; F368-L370 PolarHBondContact O-N 3.36Å; L370-L372 VanDerWaalsContact C-N 3.27Å; L370-L372 PolarHBondContact O-N 3.29Å; L370-T373 PolarHBondContact O-N 3.48Å; L370-Y374 WeakPolarHBondContact O-CB 3.09Å; L370-Y374 PolarHBondContact O-N 3.44Å; L370-Y374 VanDerWaalsContact O-N 3.08Å; L370-W380 HydrophobicContact CG-CE3 4.35Å; L370-G383 VanDerWaalsContact CD2-CA 3.46Å
371F96.8Very high94.4Very high0 Ų052.5 Ų52.50%027%0.267CS..Hα-helixtrans-59-39.5179.9-173.8-98.3000111.5I292 H303 H307 F308 L311 M353 V367 F368 Q369 W380I292-F371 HydrophobicContact CD1-CD1 4.18Å; I292-F371 HydrophobicContact CD1-CE1 3.29Å; I292-F371 HydrophobicContact CD1-CZ 3.78Å; H303-F371 HydrophobicContact CB-CE2 4.34Å; H303-F371 HydrophobicContact CB-CZ 4.06Å; H303-F371 AromaticContact CD2-CZ 3.9Å; H303-F371 AromaticContact CE1-CD2 3.44Å; H303-F371 VanDerWaalsContact CE1-CD2 3.44Å; H303-F371 WeakPolarHBondContact CE1-CD2 3.42Å; H303-F371 AromaticContact CE1-CE2 3.5Å; H303-F371 VanDerWaalsContact CE1-CE2 3.5Å; H303-F371 WeakPolarHBondContact CE1-CE2 3.41Å; H303-F371 AromaticContact CE1-CG 3.99Å; H303-F371 AromaticContact CG-CE2 3.65Å; H303-F371 AromaticContact CG-CZ 3.62Å; H303-F371 AromaticContact ND1-CD2 3.71Å; H303-F371 AromaticContact ND1-CE2 3.25Å; H303-F371 VanDerWaalsContact ND1-CE2 3.25Å; H303-F371 WeakPolarHBondContact ND1-CE2 3.47Å; H303-F371 AromaticContact ND1-CZ 3.76Å; H303-F371 AromaticContact NE2-CD2 3.95Å; H303-F371 PolarHBondContact NE2-O 3.34Å; H307-F371 HydrophobicContact CB-CE2 4.11Å; H307-F371 WeakPolarHBondContact O-CE2 3.35Å; F308-F371 HydrophobicContact CD1-CE1 4.28Å; F308-F371 AromaticContact CD1-CZ 3.81Å; F308-F371 HydrophobicContact CD1-CZ 3.81Å; F308-F371 HydrophobicContact CD2-CZ 4.29Å; F308-F371 HydrophobicContact CE1-CE1 4.15Å; F308-F371 AromaticContact CE1-CZ 3.97Å; F308-F371 HydrophobicContact CE1-CZ 3.97Å; F308-F371 HydrophobicContact CE2-CZ 4.42Å; F308-F371 AromaticContact CG-CZ 4Å; F308-F371 HydrophobicContact CG-CZ 4Å; F308-F371 HydrophobicContact CZ-CZ 4.29Å; L311-F371 HydrophobicContact CB-CD2 4.07Å; L311-F371 HydrophobicContact CB-CE2 4.09Å; L311-F371 HydrophobicContact CD1-CB 4.36Å; L311-F371 HydrophobicContact CD2-CB 4.24Å; L311-F371 HydrophobicContact CD2-CD1 3.62Å; L311-F371 HydrophobicContact CD2-CD2 3.9Å; L311-F371 HydrophobicContact CD2-CE1 3.76Å; L311-F371 HydrophobicContact CD2-CE2 4.04Å; L311-F371 HydrophobicContact CD2-CG 3.69Å; L311-F371 HydrophobicContact CD2-CZ 3.98Å; L311-F371 HydrophobicContact CG-CD2 4.42Å; M353-F371 HydrophobicContact SD-CE1 4.08Å; V367-F371 PolarHBondContact O-N 2.92Å; F368-F371 WeakPolarHBondContact O-CB 3.2Å; F368-F371 PolarHBondContact O-N 3.36Å; F368-F371 VanDerWaalsContact O-N 3.15Å; Q369-F371 VanDerWaalsContact C-N 3.34Å; Q369-F371 PolarHBondContact O-N 3.3Å; F371-W380 AromaticContact CD2-CH2 3.96Å; F371-W380 HydrophobicContact CD2-CH2 3.96Å; F371-W380 HydrophobicContact CD2-CZ3 4.03Å
372L95.8Very high94.3Very high2 Ų256 Ų561%0.0129%0.288CS..Hα-helixtrans-80-23.2180-65.9-174.2000115.6I268 C270 I292 P294 M353 F368 Q369 L370I268-L372 HydrophobicContact CG2-CD1 4.17Å; C270-L372 WeakPolarHBondContact SG-CD2 3.49Å; I292-L372 HydrophobicContact CG2-CD2 3.92Å; P294-L372 HydrophobicContact CG-CB 3.98Å; P294-L372 HydrophobicContact CG-CD2 4.3Å; M353-L372 HydrophobicContact CE-CD2 3.74Å; F368-L372 HydrophobicContact CD1-CD1 3.92Å; F368-L372 HydrophobicContact CD1-CG 4.42Å; F368-L372 HydrophobicContact CE1-CD1 3.59Å; F368-L372 HydrophobicContact CE1-CG 4.28Å; F368-L372 HydrophobicContact CZ-CD1 4.26Å; F368-L372 WeakPolarHBondContact O-CG 3.4Å; F368-L372 PolarHBondContact O-N 3.49Å; Q369-L372 PolarHBondContact O-N 2.86Å; L370-L372 VanDerWaalsContact C-N 3.27Å; L370-L372 PolarHBondContact O-N 3.29Å
373T93.9Very high94.3Very high57 Ų5756.7 Ų56.735%0.3530%0.295SS..Hα-helixtrans-1345.4-162.569.10000116.3T297 Q369 L370T297-T373 HydrophobicContact CG2-CG2 4.25Å; Q369-T373 WeakPolarHBondContact O-CB 3.36Å; Q369-T373 PolarHBondContact O-N 3.28Å; Q369-T373 PolarHBondContact O-OG1 2.88Å; L370-T373 PolarHBondContact O-N 3.48Å
374Y93.3Very high94.3Very high47 Ų4760 Ų6018%0.18431%0.309CS..  trans-54.1141.8178.677.9-90.3000111.9V301 N302 H303 L370 D376 D379 W380V301-Y374 HydrophobicContact CB-CD1 4.33Å; V301-Y374 HydrophobicContact CB-CE1 3.65Å; V301-Y374 HydrophobicContact CG1-CD1 4.13Å; V301-Y374 HydrophobicContact CG1-CE1 3.87Å; V301-Y374 HydrophobicContact CG2-CE1 4.39Å; N302-Y374 PolarHBondContact N-OH 3.3Å; N302-Y374 PolarHBondContact O-OH 3.38Å; H303-Y374 AromaticContact CE1-CE1 3.65Å; H303-Y374 AromaticContact NE2-CE1 3.45Å; H303-Y374 WeakPolarHBondContact NE2-CE1 3.19Å; L370-Y374 WeakPolarHBondContact O-CB 3.09Å; L370-Y374 PolarHBondContact O-N 3.44Å; L370-Y374 VanDerWaalsContact O-N 3.08Å; Y374-D376 WeakPolarHBondContact CD2-O 3.37Å; Y374-D379 WeakPolarHBondContact CA-OD2 3.45Å; Y374-W380 HydrophobicContact CD1-CE3 4.09Å; Y374-W380 HydrophobicContact CD2-CB 3.89Å; Y374-W380 HydrophobicContact CE2-CB 4.45Å; Y374-W380 HydrophobicContact CG-CB 4.08Å; Y374-W380 HydrophobicContact CG-CE3 4.38Å
375K91Very high94.4Very high162 Ų16264.5 Ų64.570%0.70431%0.309SS*.  trans-91.3-35.6-172.1-65.6168.7-173.21660113.5D379K375-D379 PolarHBondContact N-OD2 3.18Å
376D92Very high94.4Very high87 Ų8770.3 Ų70.347%0.46533%0.332SS..SBendtrans-156.7174.9-17762.258.1000111Y374 K378 D379 W380Y374-D376 WeakPolarHBondContact CD2-O 3.37Å; D376-K378 VanDerWaalsContact C-N 3.26Å; D376-K378 PolarHBondContact O-N 2.88Å; D376-K378 WeakPolarHBondContact OD1-CA 3.47Å; D376-K378 VanDerWaalsContact OD1-CB 3.25Å; D376-K378 WeakPolarHBondContact OD1-CB 3.4Å; D376-K378 PolarHBondContact OD1-N 3.31Å; D376-D379 WeakPolarHBondContact O-CB 3.37Å; D376-D379 PolarHBondContact O-N 3.42Å; D376-D379 PolarHBondContact OD1-N 3.24Å; D376-W380 PolarHBondContact O-N 3.04Å
377E90.4Very high94.4Very high124 Ų12466.7 Ų66.758%0.57932%0.316SS*.Hα-helixtrans-64.3-28.8-177.5-168.4-177.5165.400113.3K381E377-K381 HydrophobicContact CG-CD 4.3Å; E377-K381 WeakPolarHBondContact O-CB 3.28Å; E377-K381 WeakPolarHBondContact O-CG 3.34Å; E377-K381 PolarHBondContact O-N 3.27Å; E377-K381 WeakPolarHBondContact OE1-CE 3.43Å; E377-K381 IonicContact OE1-NZ 3.42Å; E377-K381 PolarHBondContact OE1-NZ 3.4Å
378K94.6Very high94.3Very high160 Ų16070 Ų7070%0.69633%0.33SS*.Hα-helixtrans-73.3-42.2177.7-179.2-175.1177.1-178.30110.5D376 K381 T382D376-K378 VanDerWaalsContact C-N 3.26Å; D376-K378 PolarHBondContact O-N 2.88Å; D376-K378 WeakPolarHBondContact OD1-CA 3.47Å; D376-K378 VanDerWaalsContact OD1-CB 3.25Å; D376-K378 WeakPolarHBondContact OD1-CB 3.4Å; D376-K378 PolarHBondContact OD1-N 3.31Å; K378-K381 PolarHBondContact O-N 2.99Å; K378-T382 VanDerWaalsContact O-CB 3.29Å; K378-T382 WeakPolarHBondContact O-CB 3.48Å; K378-T382 PolarHBondContact O-N 3.14Å; K378-T382 PolarHBondContact O-OG1 3.5Å
379D94.2Very high94.2Very high58 Ų5877.9 Ų77.931%0.3137%0.365SS..Hα-helixtrans-58-50.2172-165.232.4000110.7Y374 K375 D376 T382 G383Y374-D379 WeakPolarHBondContact CA-OD2 3.45Å; K375-D379 PolarHBondContact N-OD2 3.18Å; D376-D379 WeakPolarHBondContact O-CB 3.37Å; D376-D379 PolarHBondContact O-N 3.42Å; D376-D379 PolarHBondContact OD1-N 3.24Å; D379-T382 PolarHBondContact O-N 3.47Å; D379-G383 PolarHBondContact O-N 3.44Å
380W94.1Very high93.9Very high29 Ų2977.6 Ų77.611%0.1137%0.365CS..Hα-helixtrans-55.7-53.3173.6171.8-108.2000113H303 H307 W310 L370 F371 Y374 D376 T382 G383 K384H303-W380 AromaticContact CE1-CZ3 3.9Å; H307-W380 HydrophobicContact CB-CZ2 4.38Å; W310-W380 HydrophobicContact CD2-CH2 4.47Å; W310-W380 AromaticContact CE3-CH2 3.57Å; W310-W380 HydrophobicContact CE3-CH2 3.57Å; W310-W380 HydrophobicContact CE3-CZ2 4.13Å; W310-W380 HydrophobicContact CE3-CZ3 4.47Å; W310-W380 HydrophobicContact CH2-CH2 4.3Å; W310-W380 AromaticContact CZ3-CH2 3.46Å; W310-W380 HydrophobicContact CZ3-CH2 3.46Å; W310-W380 VanDerWaalsContact CZ3-CH2 3.46Å; W310-W380 HydrophobicContact CZ3-CZ2 4.3Å; W310-W380 AromaticContact CZ3-CZ3 3.94Å; W310-W380 HydrophobicContact CZ3-CZ3 3.94Å; L370-W380 HydrophobicContact CG-CE3 4.35Å; F371-W380 AromaticContact CD2-CH2 3.96Å; F371-W380 HydrophobicContact CD2-CH2 3.96Å; F371-W380 HydrophobicContact CD2-CZ3 4.03Å; Y374-W380 HydrophobicContact CD1-CE3 4.09Å; Y374-W380 HydrophobicContact CD2-CB 3.89Å; Y374-W380 HydrophobicContact CE2-CB 4.45Å; Y374-W380 HydrophobicContact CG-CB 4.08Å; Y374-W380 HydrophobicContact CG-CE3 4.38Å; D376-W380 PolarHBondContact O-N 3.04Å; W380-T382 VanDerWaalsContact C-N 3.29Å; W380-T382 PolarHBondContact O-N 2.95Å; W380-G383 PolarHBondContact O-N 2.96Å; W380-K384 VanDerWaalsContact O-CB 3.23Å; W380-K384 WeakPolarHBondContact O-CB 3.47Å; W380-K384 PolarHBondContact O-N 3.45Å
381K94.4Very high93.5Very high104 Ų10484.2 Ų84.245%0.45240%0.395SS..Hα-helixtrans-61.1-36.4179-76.6175.7-178.7170.30112.4E377 K378 R385E377-K381 HydrophobicContact CG-CD 4.3Å; E377-K381 WeakPolarHBondContact O-CB 3.28Å; E377-K381 WeakPolarHBondContact O-CG 3.34Å; E377-K381 PolarHBondContact O-N 3.27Å; E377-K381 WeakPolarHBondContact OE1-CE 3.43Å; E377-K381 IonicContact OE1-NZ 3.42Å; E377-K381 PolarHBondContact OE1-NZ 3.4Å; K378-K381 PolarHBondContact O-N 2.99Å; K381-R385 WeakPolarHBondContact O-CG 3.2Å; K381-R385 PolarHBondContact O-N 2.89Å
382T95.6Very high93.1Very high85 Ų8585.8 Ų85.852%0.52141%0.405SS..Hα-helixtrans-71.1-47.6178.6-55.30000111.1K378 D379 W380 R385 K386K378-T382 VanDerWaalsContact O-CB 3.29Å; K378-T382 WeakPolarHBondContact O-CB 3.48Å; K378-T382 PolarHBondContact O-N 3.14Å; K378-T382 PolarHBondContact O-OG1 3.5Å; D379-T382 PolarHBondContact O-N 3.47Å; W380-T382 VanDerWaalsContact C-N 3.29Å; W380-T382 PolarHBondContact O-N 2.95Å; T382-R385 PolarHBondContact O-N 2.85Å; T382-K386 PolarHBondContact O-N 2.84Å
383G95.5Very high92.9Very high14 Ų1488.4 Ų88.414%0.14442%0.421CS..Hα-helixtrans-63.7-41176.700000112.7L370 D379 W380 R385 K386 A387L370-G383 VanDerWaalsContact CD2-CA 3.46Å; D379-G383 PolarHBondContact O-N 3.44Å; W380-G383 PolarHBondContact O-N 2.96Å; G383-R385 PolarHBondContact O-N 2.8Å; G383-K386 WeakPolarHBondContact O-CB 3.48Å; G383-K386 PolarHBondContact O-N 3.46Å; G383-K386 VanDerWaalsContact O-N 3.08Å; G383-A387 PolarHBondContact O-N 3.4Å
384K94.9Very high92.8Very high74 Ų7486.6 Ų86.632%0.32241%0.413SS..Hα-helixtrans-54.3-53.6173.9169.5171.4179.5-168.20110.9W310 W380 K386 A387 E388W310-K384 HydrophobicContact CH2-CB 4.35Å; W310-K384 HydrophobicContact CZ2-CB 3.9Å; W310-K384 HydrophobicContact CZ2-CD 4.48Å; W310-K384 HydrophobicContact CZ2-CG 3.65Å; W380-K384 VanDerWaalsContact O-CB 3.23Å; W380-K384 WeakPolarHBondContact O-CB 3.47Å; W380-K384 PolarHBondContact O-N 3.45Å; K384-K386 PolarHBondContact O-N 3.43Å; K384-A387 PolarHBondContact O-N 3.17Å; K384-E388 WeakPolarHBondContact CE-OE1 3.26Å; K384-E388 WeakPolarHBondContact CG-OE1 3.47Å; K384-E388 IonicContact NZ-OE1 3.27Å; K384-E388 WeakPolarHBondContact O-CG 3.46Å; K384-E388 PolarHBondContact O-N 2.94Å
385R95.3Very high92.8Very high152 Ų15284.7 Ų84.757%0.57441%0.407SS*.Hα-helixtrans-64.2-23.7177.2-72.1172.2173.8173.3-2.6113.7K381 T382 G383 K389K381-R385 WeakPolarHBondContact O-CG 3.2Å; K381-R385 PolarHBondContact O-N 2.89Å; T382-R385 PolarHBondContact O-N 2.85Å; G383-R385 PolarHBondContact O-N 2.8Å; R385-K389 WeakPolarHBondContact O-CD 3.46Å; R385-K389 VanDerWaalsContact O-CG 3.3Å; R385-K389 WeakPolarHBondContact O-CG 3.29Å
386K94.4Very high92.8Very high134 Ų13478.6 Ų78.658%0.58338%0.381SS*.Hα-helixtrans-73.2-49.2172.2-174.4-163.9176.6-166.70110.4D366 T382 G383 K384 E388 K389 D390D366-K386 IonicContact OD2-NZ 3.6Å; D366-K386 PolarHBondContact OD2-NZ 3.25Å; T382-K386 PolarHBondContact O-N 2.84Å; G383-K386 WeakPolarHBondContact O-CB 3.48Å; G383-K386 PolarHBondContact O-N 3.46Å; G383-K386 VanDerWaalsContact O-N 3.08Å; K384-K386 PolarHBondContact O-N 3.43Å; K386-E388 VanDerWaalsContact C-N 3.31Å; K386-E388 PolarHBondContact O-N 3.44Å; K386-K389 PolarHBondContact O-N 3.3Å; K386-K389 VanDerWaalsContact O-N 3.15Å; K386-D390 PolarHBondContact O-N 2.82Å
387A94Very high92.9Very high21 Ų2174.6 Ų74.617%0.17436%0.36CS..Hα-helixtrans-64.1-34.1179.300000112.7W310 V367 G383 K384 K389 D390W310-A387 HydrophobicContact CH2-CB 4.3Å; W310-A387 HydrophobicContact CZ2-CB 4.19Å; V367-A387 HydrophobicContact CB-CB 4.21Å; V367-A387 HydrophobicContact CG2-CB 3.77Å; G383-A387 PolarHBondContact O-N 3.4Å; K384-A387 PolarHBondContact O-N 3.17Å; A387-K389 PolarHBondContact O-N 2.95Å; A387-D390 WeakPolarHBondContact O-CB 3.41Å; A387-D390 PolarHBondContact O-N 3.09Å
388E93.3Very high93.1Very high81 Ų8168.8 Ų68.838%0.37933%0.333SS..THydrogen-bonded Turntrans-71.9-14.4175.9-71.5165.5167.100114.1W310 K384 K386W310-E388 PolarHBondContact NE1-OE1 3.32Å; K384-E388 WeakPolarHBondContact CE-OE1 3.26Å; K384-E388 WeakPolarHBondContact CG-OE1 3.47Å; K384-E388 IonicContact NZ-OE1 3.27Å; K384-E388 WeakPolarHBondContact O-CG 3.46Å; K384-E388 PolarHBondContact O-N 2.94Å; K386-E388 VanDerWaalsContact C-N 3.31Å; K386-E388 PolarHBondContact O-N 3.44Å
389K92.9Very high93Very high165 Ų16561.8 Ų61.872%0.71730%0.303SS*.THydrogen-bonded Turntrans-107.613.8178.3-67.7178.6-176.8-1770112.8R385 K386 A387 E391R385-K389 WeakPolarHBondContact O-CD 3.46Å; R385-K389 VanDerWaalsContact O-CG 3.3Å; R385-K389 WeakPolarHBondContact O-CG 3.29Å; K386-K389 PolarHBondContact O-N 3.3Å; K386-K389 VanDerWaalsContact O-N 3.15Å; A387-K389 PolarHBondContact O-N 2.95Å; K389-E391 PolarHBondContact O-N 2.86Å
390D88.8Confident92.9Very high50 Ų5060.1 Ų60.127%0.26730%0.295SS..  trans-70.3125.1178.3-163.8-17.8000110.7K318 K386 A387 T392 V393K318-D390 WeakPolarHBondContact CE-OD2 3.34Å; K318-D390 IonicContact NZ-OD2 2.71Å; K318-D390 PolarHBondContact NZ-OD2 3.24Å; K386-D390 PolarHBondContact O-N 2.82Å; A387-D390 WeakPolarHBondContact O-CB 3.41Å; A387-D390 PolarHBondContact O-N 3.09Å; D390-T392 WeakPolarHBondContact OD1-CB 3.34Å; D390-T392 PolarHBondContact OD1-N 2.71Å; D390-T392 PolarHBondContact OD1-OG1 2.78Å; D390-T392 PolarHBondContact OD2-OG1 3.27Å; D390-V393 HydrophobicContact CB-CG1 4.19Å; D390-V393 WeakPolarHBondContact O-CG1 3.47Å
391E87.9Confident92.9Very high162 Ų16259 Ų5976%0.75729%0.292SS*.SBendtrans-88.2-11.5177-60.3-175.1164.800112.1K389 V393K389-E391 PolarHBondContact O-N 2.86Å; E391-V393 PolarHBondContact O-N 2.96Å; E391-V393 VanDerWaalsContact O-N 3.14Å
392T89.2Confident92.8Very high33 Ų3357.9 Ų57.920%0.20229%0.288CS..SBendtrans-87.841.8-177.962.30000113.1K318 D390 T400K318-T392 PolarHBondContact NZ-OG1 3.27Å; D390-T392 WeakPolarHBondContact OD1-CB 3.34Å; D390-T392 PolarHBondContact OD1-N 2.71Å; D390-T392 PolarHBondContact OD1-OG1 2.78Å; D390-T392 PolarHBondContact OD2-OG1 3.27Å; T392-T400 HydrophobicContact CG2-CG2 4.24Å
393V91.3Very high92.6Very high57 Ų5755.3 Ų55.335%0.34527%0.273SS..  trans-105159.1-173.5-63.40000113.3D317 K318 D390 E391 V395 M396D317-V393 WeakPolarHBondContact O-CB 3.26Å; K318-V393 HydrophobicContact CB-CG1 4.27Å; D390-V393 HydrophobicContact CB-CG1 4.19Å; D390-V393 WeakPolarHBondContact O-CG1 3.47Å; E391-V393 PolarHBondContact O-N 2.96Å; E391-V393 VanDerWaalsContact O-N 3.14Å; V393-V395 PolarHBondContact O-N 2.7Å; V393-M396 WeakPolarHBondContact O-CB 3.49Å; V393-M396 PolarHBondContact O-N 2.95Å
394G91.1Very high92.5Very high19 Ų1961.2 Ų61.220%0.19630%0.296CS..G310 helixtrans53.8-133-176.200000111.9D317 S321 M396 I397D317-G394 PolarHBondContact O-N 2.9Å; S321-G394 VanDerWaalsContact OG-C 3.3Å; S321-G394 WeakPolarHBondContact OG-CA 3.44Å; G394-M396 PolarHBondContact O-N 3Å; G394-I397 WeakPolarHBondContact O-CB 3.35Å; G394-I397 WeakPolarHBondContact O-CG2 3.41Å; G394-I397 PolarHBondContact O-N 3.27Å; G394-I397 VanDerWaalsContact O-N 3.08Å
395V93.3Very high92.3Very high7 Ų759.4 Ų59.44%0.04230%0.296CS..G310 helixtrans-61.8-14.6178.6-57.50000114.2L236 Y237 S321 V393 I397 F398 V527L236-V395 HydrophobicContact CB-CG2 4.06Å; L236-V395 HydrophobicContact CD2-CG2 4.29Å; Y237-V395 WeakPolarHBondContact CB-O 3.44Å; S321-V395 PolarHBondContact OG-N 2.82Å; V393-V395 PolarHBondContact O-N 2.7Å; V395-I397 PolarHBondContact O-N 2.94Å; V395-F398 HydrophobicContact CB-CD2 4.45Å; V395-F398 VanDerWaalsContact O-CD2 3.26Å; V395-F398 WeakPolarHBondContact O-CD2 3.47Å; V395-V527 HydrophobicContact CG1-CG1 3.72Å
396M92.4Very high92.3Very high35 Ų3555.9 Ų55.917%0.17230%0.299CS..G310 helixtrans-74.2-14.2176-65.4-58.8-66.600113.1L236 V393 G394 F398 T399L236-M396 HydrophobicContact CD2-CG 3.92Å; L236-M396 HydrophobicContact CD2-SD 4.06Å; L236-M396 HydrophobicContact CG-CG 4.35Å; L236-M396 HydrophobicContact CG-SD 3.8Å; V393-M396 WeakPolarHBondContact O-CB 3.49Å; V393-M396 PolarHBondContact O-N 2.95Å; G394-M396 PolarHBondContact O-N 3Å; M396-F398 PolarHBondContact O-N 3.27Å; M396-T399 HydrophobicContact CE-CG2 3.77Å; M396-T399 WeakPolarHBondContact O-CB 3.28Å; M396-T399 WeakPolarHBondContact O-CG2 3.4Å; M396-T399 PolarHBondContact O-N 2.89Å; M396-T399 PolarHBondContact O-OG1 3.49Å; M396-T399 HydrophobicContact SD-CG2 4.45Å
397I92.9Very high92.3Very high3 Ų353.9 Ų53.92%0.01529%0.294CS..G310 helixtrans-59.5-33174.3-162.761.3000112.2K318 F319 A322 G394 V395 T399 T400K318-I397 HydrophobicContact CG-CD1 4.16Å; F319-I397 HydrophobicContact CD1-CD1 4Å; F319-I397 HydrophobicContact CD1-CG1 3.96Å; F319-I397 HydrophobicContact CE1-CD1 3.81Å; F319-I397 HydrophobicContact CE1-CG1 4.24Å; A322-I397 HydrophobicContact CB-CG2 3.78Å; G394-I397 WeakPolarHBondContact O-CB 3.35Å; G394-I397 WeakPolarHBondContact O-CG2 3.41Å; G394-I397 PolarHBondContact O-N 3.27Å; G394-I397 VanDerWaalsContact O-N 3.08Å; V395-I397 PolarHBondContact O-N 2.94Å; I397-T399 PolarHBondContact O-N 3.45Å; I397-T400 PolarHBondContact O-N 3.27Å; I397-T400 PolarHBondContact O-OG1 2.94Å
398F94.6Very high92.3Very high1 Ų154 Ų540%0.00429%0.292CS..G310 helixtrans-64.5-10176.6-57.3-68.7000113.6Y237 S321 A322 V395 M396 T400 I401 H528 M562 T565Y237-F398 HydrophobicContact CD1-CB 3.88Å; Y237-F398 HydrophobicContact CD1-CD2 4.16Å; Y237-F398 HydrophobicContact CD1-CG 4.37Å; Y237-F398 HydrophobicContact CD2-CB 3.97Å; Y237-F398 HydrophobicContact CE1-CB 3.47Å; Y237-F398 VanDerWaalsContact CE1-CB 3.47Å; Y237-F398 HydrophobicContact CE1-CD2 4.41Å; Y237-F398 HydrophobicContact CE1-CG 4.17Å; Y237-F398 HydrophobicContact CE2-CB 3.57Å; Y237-F398 WeakPolarHBondContact CE2-O 3.42Å; Y237-F398 HydrophobicContact CG-CB 4.11Å; Y237-F398 PolarHBondContact OH-O 2.81Å; S321-F398 WeakPolarHBondContact O-CZ 3.35Å; A322-F398 HydrophobicContact CB-CE1 3.71Å; A322-F398 HydrophobicContact CB-CZ 3.85Å; V395-F398 HydrophobicContact CB-CD2 4.45Å; V395-F398 VanDerWaalsContact O-CD2 3.26Å; V395-F398 WeakPolarHBondContact O-CD2 3.47Å; M396-F398 PolarHBondContact O-N 3.27Å; F398-T400 VanDerWaalsContact C-N 3.32Å; F398-I401 HydrophobicContact CD1-CD1 4.02Å; F398-H528 AromaticContact CE1-NE2 3.94Å; F398-H528 AromaticContact CZ-NE2 3.42Å; F398-H528 WeakPolarHBondContact CZ-NE2 3.35Å; F398-M562 HydrophobicContact CB-CG 4.47Å; F398-M562 HydrophobicContact CD1-CB 4.46Å; F398-M562 HydrophobicContact CD1-CG 3.85Å; F398-M562 HydrophobicContact CD2-CE 4.32Å; F398-M562 HydrophobicContact CD2-CG 3.85Å; F398-M562 HydrophobicContact CD2-SD 4.29Å; F398-M562 HydrophobicContact CE1-CB 4.29Å; F398-M562 HydrophobicContact CE1-CG 3.95Å; F398-M562 HydrophobicContact CE2-CE 3.72Å; F398-M562 HydrophobicContact CE2-CG 3.98Å; F398-M562 HydrophobicContact CE2-SD 4.28Å; F398-M562 HydrophobicContact CG-CG 3.81Å; F398-M562 HydrophobicContact CZ-CE 3.98Å; F398-M562 HydrophobicContact CZ-CG 4.03Å; F398-T565 HydrophobicContact CD1-CG2 4.2Å; F398-T565 HydrophobicContact CE1-CG2 3.72Å
399T92.5Very high92.4Very high13 Ų1354.8 Ų54.88%0.0830%0.299CS..G310 helixtrans-77.5-15.3170.767.90000113.8Y237 M396 I397Y237-T399 HydrophobicContact CD2-CG2 3.59Å; Y237-T399 HydrophobicContact CE2-CG2 3.68Å; M396-T399 HydrophobicContact CE-CG2 3.77Å; M396-T399 WeakPolarHBondContact O-CB 3.28Å; M396-T399 WeakPolarHBondContact O-CG2 3.4Å; M396-T399 PolarHBondContact O-N 2.89Å; M396-T399 PolarHBondContact O-OG1 3.49Å; M396-T399 HydrophobicContact SD-CG2 4.45Å; I397-T399 PolarHBondContact O-N 3.45Å
400T92.7Very high92.5Very high23 Ų2348.9 Ų48.914%0.14128%0.277CS..SBendtrans-97.9-4.8177.773.10000112.7K249 L250 T392 I397 F398K249-T400 CarbonylContact C-O 3.6Å; K249-T400 WeakPolarHBondContact CA-O 3.22Å; L250-T400 PolarHBondContact N-O 2.9Å; T392-T400 HydrophobicContact CG2-CG2 4.24Å; I397-T400 PolarHBondContact O-N 3.27Å; I397-T400 PolarHBondContact O-OG1 2.94Å; F398-T400 VanDerWaalsContact C-N 3.32Å
401I93.8Very high92.8Very high7 Ų751.2 Ų51.24%0.03629%0.289CS..EExtended strand (participates in β ladder)trans-99.4126.8-175.4-58.8172.5000109.9L250 I252 W261 F398 T561 T565L250-I401 HydrophobicContact CB-CG1 4.04Å; L250-I401 HydrophobicContact CD1-CG1 4.01Å; L250-I401 WeakPolarHBondContact O-CA 3.33Å; I252-I401 HydrophobicContact CD1-CG2 3.55Å; I252-I401 HydrophobicContact CG1-CG2 4.08Å; W261-I401 HydrophobicContact CH2-CD1 4.03Å; W261-I401 HydrophobicContact CZ3-CD1 4.5Å; W261-I401 HydrophobicContact CZ3-CG2 4.48Å; F398-I401 HydrophobicContact CD1-CD1 4.02Å; I401-T561 HydrophobicContact CB-CG2 4.1Å; I401-T561 HydrophobicContact CG2-CG2 4.11Å; I401-T565 HydrophobicContact CD1-CG2 3.75Å; I401-T565 WeakPolarHBondContact CD1-OG1 3.35Å
402E91.6Very high93.2Very high80 Ų8047.4 Ų47.437%0.37427%0.271SS..EExtended strand (participates in β ladder)trans-124.8105176.8-69.1-165.8171.300110.6K249 L250 I252K249-E402 HydrophobicContact CD-CG 4.37Å; K249-E402 WeakPolarHBondContact CD-OE2 3.39Å; K249-E402 VanDerWaalsContact CE-OE1 3.28Å; K249-E402 WeakPolarHBondContact CE-OE1 3.27Å; K249-E402 WeakPolarHBondContact CE-OE2 3.12Å; K249-E402 IonicContact NZ-OE1 3.77Å; K249-E402 PolarHBondContact NZ-OE1 3.4Å; K249-E402 IonicContact NZ-OE2 2.71Å; K249-E402 PolarHBondContact NZ-OE2 3.42Å; L250-E402 PolarHBondContact O-N 3.32Å; I252-E402 PolarHBondContact N-O 2.93Å
403P92.9Very high93.6Very high31 Ų3146 Ų4620%0.20126%0.263CS..EExtended strand (participates in β ladder)trans-74.2131.8172.3-15.430.5000111.8I252 A405 T561 Y564I252-P403 HydrophobicContact CB-CB 4.41Å; I252-P403 CarbonylContact O-C 3.57Å; I252-P403 WeakPolarHBondContact O-CA 3.38Å; P403-A405 PolarHBondContact O-N 3.5Å; P403-T561 HydrophobicContact CG-CG2 4.22Å; P403-Y564 HydrophobicContact CB-CD1 4.49Å; P403-Y564 HydrophobicContact CB-CD2 3.57Å; P403-Y564 HydrophobicContact CB-CE2 4.21Å; P403-Y564 HydrophobicContact CB-CG 3.75Å; P403-Y564 HydrophobicContact CG-CD2 3.72Å; P403-Y564 HydrophobicContact CG-CG 3.94Å
404E92.1Very high93.9Very high137 Ų13746.6 Ų46.664%0.6426%0.262SS*.SBendtrans-85.753.6175.5-64.5179.9-15600110.6S251 I252S251-E404 PolarHBondContact OG-OE1 2.77Å; I252-E404 PolarHBondContact O-N 2.97Å
405A92.4Very high94.2Very high37 Ų3751.3 Ų51.331%0.30628%0.279SS..SBendtrans-148.5170.2-173.400000112.5V254 P403 Y564V254-A405 HydrophobicContact CG2-CB 3.9Å; P403-A405 PolarHBondContact O-N 3.5Å; A405-Y564 HydrophobicContact CB-CE1 3.89Å; A405-Y564 HydrophobicContact CB-CE2 3.96Å; A405-Y564 VanDerWaalsContact CB-CZ 3.45Å; A405-Y564 VanDerWaalsContact CB-OH 3.28Å; A405-Y564 WeakPolarHBondContact CB-OH 3.34Å
406A93.6Very high94.4Very high78 Ų7854.1 Ų54.165%0.64529%0.29SS*.PPolyproline II helixtrans-71.2156175.100000111.7L408 Y564A406-L408 PolarHBondContact O-N 3.32Å; A406-Y564 WeakPolarHBondContact O-CE2 3.38Å; A406-Y564 PolarHBondContact O-OH 3.43Å
407D94.6Very high94.6Very high91 Ų9152.6 Ų52.649%0.48728%0.284SS..PPolyproline II helixtrans-69.2128.8176.3-64.5-31.5000110.4K557D407-K557 WeakPolarHBondContact OD1-CG 3.45Å; D407-K557 IonicContact OD1-NZ 2.78Å; D407-K557 PolarHBondContact OD1-NZ 3.22Å; D407-K557 IonicContact OD2-NZ 3.8Å; D407-K557 PolarHBondContact OD2-NZ 2.84Å
408L95.1Very high94.9Very high24 Ų2455.7 Ų55.713%0.12630%0.298CS..PPolyproline II helixtrans-77.7151-178.6-63.6170.9000112.4A406 V413 S560 Y564A406-L408 PolarHBondContact O-N 3.32Å; L408-V413 HydrophobicContact CB-CG2 3.91Å; L408-V413 HydrophobicContact CD1-CG2 4.35Å; L408-S560 WeakPolarHBondContact CB-OG 3.43Å; L408-S560 WeakPolarHBondContact CG-OG 3.3Å; L408-S560 PolarHBondContact N-OG 3.07Å; L408-Y564 HydrophobicContact CD1-CD1 4.35Å; L408-Y564 HydrophobicContact CD1-CD2 4.06Å; L408-Y564 HydrophobicContact CD1-CE1 4.06Å; L408-Y564 HydrophobicContact CD1-CE2 3.77Å; L408-Y564 HydrophobicContact CD1-CG 4.33Å; L408-Y564 HydrophobicContact CD2-CE1 4.45Å; L408-Y564 HydrophobicContact CD2-CE2 4.38Å; L408-Y564 WeakPolarHBondContact CD2-OH 3.37Å; L408-Y564 HydrophobicContact CG-CD2 4.42Å; L408-Y564 HydrophobicContact CG-CE1 4.38Å; L408-Y564 HydrophobicContact CG-CE2 3.67Å
409D95.1Very high95Very high97 Ų9761.1 Ų61.152%0.51932%0.323SS..PPolyproline II helixtrans-73.6137.2172.6-174.682.3000111.4L411 E412 V413D409-L411 PolarHBondContact O-N 3.29Å; D409-L411 VanDerWaalsContact O-N 3.11Å; D409-L411 WeakPolarHBondContact OD2-CB 3.43Å; D409-L411 PolarHBondContact OD2-N 2.83Å; D409-E412 WeakPolarHBondContact O-CB 3.29Å; D409-E412 PolarHBondContact O-N 3.17Å; D409-V413 PolarHBondContact O-N 3.5Å; D409-V413 VanDerWaalsContact O-N 3.08Å
410P94.4Very high95.3Very high41 Ų4161.5 Ų61.527%0.26632%0.324SS..Hα-helixtrans-55.7-28.5179.8-28.336.6000115.3E414 V535 L559P410-E414 PolarHBondContact O-N 3.26Å; P410-V535 HydrophobicContact CB-CG1 4.42Å; P410-V535 HydrophobicContact CG-CG1 4.21Å; P410-L559 HydrophobicContact CB-CD2 4.23Å
411L94.9Very high95.6Very high100 Ų10061.9 Ų61.952%0.52433%0.327SS..Hα-helixtrans-71.7-38.1175.7-17664.5000111.7D409 E414 Q415D409-L411 PolarHBondContact O-N 3.29Å; D409-L411 VanDerWaalsContact O-N 3.11Å; D409-L411 WeakPolarHBondContact OD2-CB 3.43Å; D409-L411 PolarHBondContact OD2-N 2.83Å; L411-E414 PolarHBondContact O-N 3.16Å; L411-Q415 VanDerWaalsContact O-CG 3.28Å; L411-Q415 WeakPolarHBondContact O-CG 3.31Å; L411-Q415 PolarHBondContact O-N 3.02Å
412E96.1Very high95.8Very high81 Ų8167.8 Ų67.838%0.37935%0.353SS..Hα-helixtrans-64.7-43.2173.8-172.8-174.616800110.7D409 E414 Q415 K416D409-E412 WeakPolarHBondContact O-CB 3.29Å; D409-E412 PolarHBondContact O-N 3.17Å; E412-E414 VanDerWaalsContact C-N 3.32Å; E412-E414 PolarHBondContact O-N 3.41Å; E412-Q415 PolarHBondContact O-N 3.43Å; E412-K416 WeakPolarHBondContact O-CG 3.41Å; E412-K416 PolarHBondContact O-N 2.94Å
413V97.5Very high96.2Very high4 Ų467 Ų672%0.02435%0.348CS..Hα-helixtrans-57.7-44.7175.3177.10000111.5L408 D409 C417 I532 L559L408-V413 HydrophobicContact CB-CG2 3.91Å; L408-V413 HydrophobicContact CD1-CG2 4.35Å; D409-V413 PolarHBondContact O-N 3.5Å; D409-V413 VanDerWaalsContact O-N 3.08Å; V413-C417 VanDerWaalsContact O-CB 3.3Å; V413-C417 WeakPolarHBondContact O-CB 3.38Å; V413-C417 PolarHBondContact O-N 3.02Å; V413-I532 HydrophobicContact CG1-CD1 4.24Å; V413-I532 HydrophobicContact CG1-CG1 4.1Å; V413-L559 HydrophobicContact CB-CG 4.42Å; V413-L559 HydrophobicContact CG1-CD1 3.79Å; V413-L559 HydrophobicContact CG1-CD2 4.32Å; V413-L559 HydrophobicContact CG1-CG 3.88Å; V413-L559 HydrophobicContact CG2-CG 4.46Å
414E97.9Very high96.4Very high69 Ų6965.9 Ų65.932%0.32234%0.341SS..Hα-helixtrans-62.3-46.5176.2177.8167.9-157.600112.4P410 L411 E412 K416 C417 E418 I532 K536P410-E414 PolarHBondContact O-N 3.26Å; L411-E414 PolarHBondContact O-N 3.16Å; E412-E414 VanDerWaalsContact C-N 3.32Å; E412-E414 PolarHBondContact O-N 3.41Å; E414-K416 PolarHBondContact O-N 3.38Å; E414-C417 PolarHBondContact O-N 2.96Å; E414-E418 WeakPolarHBondContact O-CB 3.31Å; E414-E418 PolarHBondContact O-N 3.38Å; E414-I532 HydrophobicContact CB-CD1 4.47Å; E414-I532 HydrophobicContact CB-CG2 4.1Å; E414-I532 HydrophobicContact CG-CG2 4.38Å; E414-K536 IonicContact OE1-NZ 4Å; E414-K536 PolarHBondContact OE1-NZ 3.16Å; E414-K536 WeakPolarHBondContact OE2-CE 3.47Å; E414-K536 IonicContact OE2-NZ 3.71Å; E414-K536 PolarHBondContact OE2-NZ 3.44Å
415Q97.9Very high96.7Very high119 Ų11965 Ų6556%0.55634%0.335SS*.Hα-helixtrans-60.3-43.7179.1-72.71731200112L411 E412 Q419L411-Q415 VanDerWaalsContact O-CG 3.28Å; L411-Q415 WeakPolarHBondContact O-CG 3.31Å; L411-Q415 PolarHBondContact O-N 3.02Å; E412-Q415 PolarHBondContact O-N 3.43Å; Q415-Q419 WeakPolarHBondContact O-CB 3.46Å; Q415-Q419 PolarHBondContact O-N 2.81Å
416K96.4Very high97Very high65 Ų6566 Ų6628%0.28334%0.343SS..Hα-helixtrans-63.7-46.6175.5-69.8-69.1-174.6176.10112E412 E414 E418 Q419 F420E412-K416 WeakPolarHBondContact O-CG 3.41Å; E412-K416 PolarHBondContact O-N 2.94Å; E414-K416 PolarHBondContact O-N 3.38Å; K416-E418 VanDerWaalsContact C-N 3.32Å; K416-E418 PolarHBondContact O-N 2.94Å; K416-Q419 PolarHBondContact O-N 2.74Å; K416-F420 HydrophobicContact CB-CE2 4.37Å; K416-F420 VanDerWaalsContact O-CD2 3.25Å; K416-F420 WeakPolarHBondContact O-CD2 3.36Å; K416-F420 VanDerWaalsContact O-CG 3.29Å; K416-F420 WeakPolarHBondContact O-CG 3.4Å; K416-F420 PolarHBondContact O-N 3.03Å
417C98Very high97.3Very high4 Ų463.5 Ų63.53%0.02732%0.318CS..Hα-helixtrans-58.5-43.7178.6-172.70000111.9V413 E414 S421 I532V413-C417 VanDerWaalsContact O-CB 3.3Å; V413-C417 WeakPolarHBondContact O-CB 3.38Å; V413-C417 PolarHBondContact O-N 3.02Å; E414-C417 PolarHBondContact O-N 2.96Å; C417-S421 WeakPolarHBondContact O-CB 3.31Å; C417-S421 PolarHBondContact O-N 2.77Å; C417-I532 HydrophobicContact CB-CD1 3.67Å
418E98.3Very high97.4Very high67 Ų6760.3 Ų60.331%0.31330%0.301SS..Hα-helixtrans-73.5-34.3178.4-176.557.8-164.300113.1E414 K416 S421 K422 K529E414-E418 WeakPolarHBondContact O-CB 3.31Å; E414-E418 PolarHBondContact O-N 3.38Å; K416-E418 VanDerWaalsContact C-N 3.32Å; K416-E418 PolarHBondContact O-N 2.94Å; E418-S421 PolarHBondContact O-N 3.43Å; E418-K422 HydrophobicContact CG-CD 4.43Å; E418-K422 WeakPolarHBondContact O-CG 3.28Å; E418-K422 PolarHBondContact O-N 2.88Å; E418-K422 WeakPolarHBondContact OE1-CE 3.43Å; E418-K422 IonicContact OE1-NZ 2.96Å; E418-K422 PolarHBondContact OE1-NZ 3.34Å; E418-K529 WeakPolarHBondContact OE2-CE 3.34Å; E418-K529 IonicContact OE2-NZ 2.68Å; E418-K529 PolarHBondContact OE2-NZ 2.91Å
419Q98.3Very high97.6Very high116 Ų11662.7 Ų62.754%0.54231%0.314SS..Hα-helixtrans-58.5-48.1171.5-178-179.911.100110.9Q415 K416 K422 F423Q415-Q419 WeakPolarHBondContact O-CB 3.46Å; Q415-Q419 PolarHBondContact O-N 2.81Å; K416-Q419 PolarHBondContact O-N 2.74Å; Q419-K422 PolarHBondContact O-N 3.28Å; Q419-F423 PolarHBondContact O-N 3.14Å
420F98.1Very high97.8Very high21 Ų2161 Ų619%0.09231%0.31CS..Hα-helixtrans-66.2-42177.7-61.5-30000112.1K416 K422 F423 T424 I525 L566 Q567 M570K416-F420 HydrophobicContact CB-CE2 4.37Å; K416-F420 VanDerWaalsContact O-CD2 3.25Å; K416-F420 WeakPolarHBondContact O-CD2 3.36Å; K416-F420 VanDerWaalsContact O-CG 3.29Å; K416-F420 WeakPolarHBondContact O-CG 3.4Å; K416-F420 PolarHBondContact O-N 3.03Å; F420-K422 VanDerWaalsContact C-N 3.26Å; F420-K422 PolarHBondContact O-N 3.47Å; F420-F423 PolarHBondContact O-N 3.31Å; F420-T424 PolarHBondContact O-N 3.03Å; F420-T424 PolarHBondContact O-OG1 3.07Å; F420-T424 VanDerWaalsContact O-OG1 3.12Å; F420-I525 HydrophobicContact CB-CD1 4.43Å; F420-L566 HydrophobicContact CD2-CD2 3.92Å; F420-L566 HydrophobicContact CD2-CG 3.84Å; F420-L566 HydrophobicContact CE2-CG 4.22Å; F420-Q567 HydrophobicContact CE2-CB 4.49Å; F420-Q567 HydrophobicContact CE2-CG 3.73Å; F420-Q567 HydrophobicContact CZ-CG 3.92Å; F420-M570 HydrophobicContact CB-CE 4.15Å; F420-M570 HydrophobicContact CD1-CB 4.24Å; F420-M570 HydrophobicContact CD1-CE 4.45Å; F420-M570 HydrophobicContact CD1-CG 3.64Å; F420-M570 HydrophobicContact CD2-CB 4.44Å; F420-M570 HydrophobicContact CE1-CB 3.97Å; F420-M570 HydrophobicContact CE1-CG 3.58Å; F420-M570 HydrophobicContact CE2-CB 4.17Å; F420-M570 HydrophobicContact CG-CB 4.47Å; F420-M570 HydrophobicContact CG-CE 4.29Å; F420-M570 HydrophobicContact CG-CG 4.2Å; F420-M570 HydrophobicContact CZ-CB 3.92Å; F420-M570 HydrophobicContact CZ-CG 4.07Å
421S98.4Very high98Very high31 Ų3159.2 Ų59.222%0.21730%0.299CS..Hα-helixtrans-57.9-35.9176.3-167.20000113.2C417 E418 K529C417-S421 WeakPolarHBondContact O-CB 3.31Å; C417-S421 PolarHBondContact O-N 2.77Å; E418-S421 PolarHBondContact O-N 3.43Å; S421-K529 PolarHBondContact OG-NZ 2.86Å
422K98.6Very high98.1Very high130 Ų13058 Ų5857%0.56529%0.289SS*.Hα-helixtrans-74.9-43.9175.5-75.1168.8174.3149.50111.9E418 Q419 F420 A426E418-K422 HydrophobicContact CG-CD 4.43Å; E418-K422 WeakPolarHBondContact O-CG 3.28Å; E418-K422 PolarHBondContact O-N 2.88Å; E418-K422 WeakPolarHBondContact OE1-CE 3.43Å; E418-K422 IonicContact OE1-NZ 2.96Å; E418-K422 PolarHBondContact OE1-NZ 3.34Å; Q419-K422 PolarHBondContact O-N 3.28Å; F420-K422 VanDerWaalsContact C-N 3.26Å; F420-K422 PolarHBondContact O-N 3.47Å; K422-A426 WeakPolarHBondContact O-CB 3.36Å; K422-A426 PolarHBondContact O-N 3.38Å
423F98.7Very high98.2Very high63 Ų6360.2 Ų60.228%0.27630%0.299SS..Hα-helixtrans-62.2-50.4180167.3-93.6000112.2Q419 F420 K425 A426 M427 M570 F573 H574Q419-F423 PolarHBondContact O-N 3.14Å; F420-F423 PolarHBondContact O-N 3.31Å; F423-K425 VanDerWaalsContact C-N 3.34Å; F423-K425 PolarHBondContact O-N 2.93Å; F423-A426 PolarHBondContact O-N 3.44Å; F423-M427 HydrophobicContact CE1-SD 4.21Å; F423-M427 HydrophobicContact CZ-CB 4.34Å; F423-M427 HydrophobicContact CZ-SD 3.78Å; F423-M427 WeakPolarHBondContact O-CB 3.34Å; F423-M427 PolarHBondContact O-N 2.87Å; F423-M570 HydrophobicContact CD1-SD 4.13Å; F423-M570 HydrophobicContact CE1-SD 4.15Å; F423-F573 HydrophobicContact CE1-CD1 4.34Å; F423-F573 AromaticContact CE1-CE1 3.82Å; F423-F573 HydrophobicContact CE1-CE1 3.82Å; F423-F573 HydrophobicContact CZ-CE1 4.27Å; F423-H574 AromaticContact CD1-CE1 3.89Å; F423-H574 AromaticContact CE1-CE1 3.47Å; F423-H574 VanDerWaalsContact CE1-CE1 3.47Å; F423-H574 WeakPolarHBondContact CE1-CE1 3.47Å; F423-H574 AromaticContact CZ-CE1 3.65Å
424T98.4Very high98.3Very high8 Ų863.4 Ų63.45%0.04932%0.316CS..Hα-helixtrans-64.2-40.8-176.954.40000111.3F420 M427 D428 L518 F521 M570F420-T424 PolarHBondContact O-N 3.03Å; F420-T424 PolarHBondContact O-OG1 3.07Å; F420-T424 VanDerWaalsContact O-OG1 3.12Å; T424-M427 PolarHBondContact O-N 3.16Å; T424-D428 WeakPolarHBondContact O-CB 3.37Å; T424-D428 PolarHBondContact O-N 3.49Å; T424-L518 HydrophobicContact CG2-CD2 4.35Å; T424-F521 HydrophobicContact CG2-CB 4.01Å; T424-F521 HydrophobicContact CG2-CD1 3.95Å; T424-F521 HydrophobicContact CG2-CD2 3.86Å; T424-F521 HydrophobicContact CG2-CE1 4.35Å; T424-F521 HydrophobicContact CG2-CE2 4.24Å; T424-F521 HydrophobicContact CG2-CG 3.68Å; T424-F521 HydrophobicContact CG2-CZ 4.46Å; T424-M570 HydrophobicContact CG2-CE 3.67Å
425K98.4Very high98.3Very high120 Ų12060.6 Ų60.652%0.52230%0.303SS..Hα-helixtrans-61-49.2173.6176.1160.1175.942.40112.5F423 M427 D428 D429F423-K425 VanDerWaalsContact C-N 3.34Å; F423-K425 PolarHBondContact O-N 2.93Å; K425-M427 VanDerWaalsContact C-N 3.3Å; K425-M427 PolarHBondContact O-N 3.31Å; K425-D428 PolarHBondContact O-N 3.45Å; K425-D429 IonicContact NZ-OD1 3.3Å; K425-D429 PolarHBondContact NZ-OD1 2.95Å; K425-D429 IonicContact NZ-OD2 2.7Å; K425-D429 PolarHBondContact NZ-OD2 3.27Å; K425-D429 PolarHBondContact O-N 3.49Å
426A98.7Very high98.3Very high58 Ų5858.7 Ų58.748%0.47930%0.299SS..Hα-helixtrans-62.2-39.4-179.800000111.8K422 F423 S430K422-A426 WeakPolarHBondContact O-CB 3.36Å; K422-A426 PolarHBondContact O-N 3.38Å; F423-A426 PolarHBondContact O-N 3.44Å; A426-S430 PolarHBondContact O-N 2.91Å; A426-S430 VanDerWaalsContact O-N 3.17Å; A426-S430 PolarHBondContact O-OG 3.28Å
427M98.6Very high98.4Very high24 Ų2459.6 Ų59.612%0.11831%0.31CS..Hα-helixtrans-66.9-41.5175.9-171.5179.6168.800112.1F423 T424 K425 S430 V431 Y514 L518 F573 R577 Y581F423-M427 HydrophobicContact CE1-SD 4.21Å; F423-M427 HydrophobicContact CZ-CB 4.34Å; F423-M427 HydrophobicContact CZ-SD 3.78Å; F423-M427 WeakPolarHBondContact O-CB 3.34Å; F423-M427 PolarHBondContact O-N 2.87Å; T424-M427 PolarHBondContact O-N 3.16Å; K425-M427 VanDerWaalsContact C-N 3.3Å; K425-M427 PolarHBondContact O-N 3.31Å; M427-S430 PolarHBondContact O-N 2.83Å; M427-V431 HydrophobicContact CE-CG2 4.17Å; M427-V431 HydrophobicContact CG-CG2 4.16Å; M427-V431 WeakPolarHBondContact O-CB 3.41Å; M427-V431 VanDerWaalsContact O-CG2 3.26Å; M427-V431 WeakPolarHBondContact O-CG2 3.25Å; M427-V431 PolarHBondContact O-N 2.89Å; M427-Y514 HydrophobicContact CE-CD1 3.74Å; M427-Y514 HydrophobicContact CE-CE1 4.48Å; M427-Y514 HydrophobicContact CE-CG 4.24Å; M427-L518 HydrophobicContact CB-CD1 4.18Å; M427-L518 HydrophobicContact CB-CD2 4.21Å; M427-L518 HydrophobicContact CE-CD1 4.1Å; M427-L518 HydrophobicContact CG-CD1 3.74Å; M427-L518 HydrophobicContact CG-CD2 4.36Å; M427-L518 HydrophobicContact SD-CD1 4.03Å; M427-L518 HydrophobicContact SD-CD2 4.16Å; M427-F573 HydrophobicContact CE-CZ 4.13Å; M427-F573 HydrophobicContact SD-CE1 3.86Å; M427-F573 HydrophobicContact SD-CZ 3.78Å; M427-R577 VanDerWaalsContact CE-CD 3.43Å; M427-R577 HydrophobicContact CE-CG 3.93Å; M427-R577 WeakPolarHBondContact SD-CD 3.21Å; M427-Y581 HydrophobicContact CE-CE2 3.81Å
428D98.5Very high98.5Very high24 Ų2459.7 Ų59.713%0.12831%0.312CS..Hα-helixtrans-60.3-44.9177.1173.952.6000112.1T424 K425 S430 V431 K432 L518T424-D428 WeakPolarHBondContact O-CB 3.37Å; T424-D428 PolarHBondContact O-N 3.49Å; K425-D428 PolarHBondContact O-N 3.45Å; D428-S430 PolarHBondContact O-N 3.1Å; D428-V431 PolarHBondContact O-N 3.34Å; D428-K432 WeakPolarHBondContact O-CD 3.07Å; D428-K432 VanDerWaalsContact O-CG 3.29Å; D428-K432 WeakPolarHBondContact O-CG 3.29Å; D428-K432 PolarHBondContact O-N 2.88Å; D428-K432 WeakPolarHBondContact OD1-CE 3.12Å; D428-K432 IonicContact OD1-NZ 2.72Å; D428-K432 PolarHBondContact OD1-NZ 2.9Å; D428-K432 WeakPolarHBondContact OD2-CE 3.36Å; D428-K432 IonicContact OD2-NZ 2.68Å; D428-K432 PolarHBondContact OD2-NZ 3.18Å; D428-L518 HydrophobicContact CB-CB 4.08Å; D428-L518 HydrophobicContact CB-CD1 4.34Å
429D98.5Very high98.5Very high75 Ų7560.2 Ų60.240%0.40132%0.317SS..Hα-helixtrans-60.7-44.9175.7-66-34.6000110.9K425 K432 E433K425-D429 IonicContact NZ-OD1 3.3Å; K425-D429 PolarHBondContact NZ-OD1 2.95Å; K425-D429 IonicContact NZ-OD2 2.7Å; K425-D429 PolarHBondContact NZ-OD2 3.27Å; K425-D429 PolarHBondContact O-N 3.49Å; D429-K432 PolarHBondContact O-N 2.94Å; D429-E433 PolarHBondContact O-N 2.94Å; D429-E433 VanDerWaalsContact O-N 3.16Å
430S98.6Very high98.5Very high62 Ų6260.7 Ų60.743%0.43432%0.319SS..Hα-helixtrans-68.6-36.3176.2-640000114.4A426 M427 D428 K432 E433 I434A426-S430 PolarHBondContact O-N 2.91Å; A426-S430 VanDerWaalsContact O-N 3.17Å; A426-S430 PolarHBondContact O-OG 3.28Å; M427-S430 PolarHBondContact O-N 2.83Å; D428-S430 PolarHBondContact O-N 3.1Å; S430-K432 VanDerWaalsContact C-N 3.33Å; S430-E433 WeakPolarHBondContact O-CB 3.22Å; S430-E433 PolarHBondContact O-N 3.43Å; S430-I434 WeakPolarHBondContact O-CG1 3.4Å; S430-I434 PolarHBondContact O-N 3.44Å
431V98.6Very high98.5Very high3 Ų363.3 Ų63.32%0.01833%0.331CS..Hα-helixtrans-65.4-39176.2166.70000110.4M427 D428 E433 I434 L435 N511 K515 L518 Y581M427-V431 HydrophobicContact CE-CG2 4.17Å; M427-V431 HydrophobicContact CG-CG2 4.16Å; M427-V431 WeakPolarHBondContact O-CB 3.41Å; M427-V431 VanDerWaalsContact O-CG2 3.26Å; M427-V431 WeakPolarHBondContact O-CG2 3.25Å; M427-V431 PolarHBondContact O-N 2.89Å; D428-V431 PolarHBondContact O-N 3.34Å; V431-E433 VanDerWaalsContact C-N 3.34Å; V431-E433 PolarHBondContact O-N 3.02Å; V431-I434 PolarHBondContact O-N 3.06Å; V431-L435 HydrophobicContact CG1-CD1 4.06Å; V431-L435 WeakPolarHBondContact O-CB 3.41Å; V431-L435 VanDerWaalsContact O-CG 3.29Å; V431-L435 WeakPolarHBondContact O-CG 3.4Å; V431-L435 PolarHBondContact O-N 2.98Å; V431-N511 HydrophobicContact CG1-CB 4.11Å; V431-N511 WeakPolarHBondContact CG1-O 3.44Å; V431-K515 HydrophobicContact CG1-CB 3.9Å; V431-L518 HydrophobicContact CB-CD1 4.44Å; V431-L518 HydrophobicContact CG2-CD1 4Å; V431-Y581 WeakPolarHBondContact CG2-OH 3.4Å
432K98.4Very high98.5Very high75 Ų7564.8 Ų64.833%0.32633%0.332SS..Hα-helixtrans-63.5-37.4173.1-72.5164.7179.3163.60112.5D428 D429 S430 T436D428-K432 WeakPolarHBondContact O-CD 3.07Å; D428-K432 VanDerWaalsContact O-CG 3.29Å; D428-K432 WeakPolarHBondContact O-CG 3.29Å; D428-K432 PolarHBondContact O-N 2.88Å; D428-K432 WeakPolarHBondContact OD1-CE 3.12Å; D428-K432 IonicContact OD1-NZ 2.72Å; D428-K432 PolarHBondContact OD1-NZ 2.9Å; D428-K432 WeakPolarHBondContact OD2-CE 3.36Å; D428-K432 IonicContact OD2-NZ 2.68Å; D428-K432 PolarHBondContact OD2-NZ 3.18Å; D429-K432 PolarHBondContact O-N 2.94Å; S430-K432 VanDerWaalsContact C-N 3.33Å; K432-T436 WeakPolarHBondContact O-CB 3.32Å; K432-T436 PolarHBondContact O-N 2.84Å; K432-T436 PolarHBondContact O-OG1 2.78Å
433E98.6Very high98.5Very high127 Ų12765.3 Ų65.359%0.59334%0.335SS*.Hα-helixtrans-64.1-49.2174.7-173.9176.3-169.500111.5D429 S430 V431 L435 T436 V437D429-E433 PolarHBondContact O-N 2.94Å; D429-E433 VanDerWaalsContact O-N 3.16Å; S430-E433 WeakPolarHBondContact O-CB 3.22Å; S430-E433 PolarHBondContact O-N 3.43Å; V431-E433 VanDerWaalsContact C-N 3.34Å; V431-E433 PolarHBondContact O-N 3.02Å; E433-L435 VanDerWaalsContact C-N 3.33Å; E433-L435 PolarHBondContact O-N 3.42Å; E433-T436 WeakPolarHBondContact O-CB 3.44Å; E433-T436 PolarHBondContact O-N 3.37Å; E433-V437 PolarHBondContact O-N 2.94Å
434I98.4Very high98.4Very high71 Ų7168.9 Ų68.936%0.36435%0.346SS..Hα-helixtrans-57-45.8175.9-69.4169.9000111.1S430 V431 T436 G438 M508S430-I434 WeakPolarHBondContact O-CG1 3.4Å; S430-I434 PolarHBondContact O-N 3.44Å; V431-I434 PolarHBondContact O-N 3.06Å; I434-T436 VanDerWaalsContact C-N 3.3Å; I434-T436 PolarHBondContact O-N 2.89Å; I434-G438 PolarHBondContact O-N 3.33Å; I434-M508 HydrophobicContact CG2-CE 3.95Å
435L98.4Very high98.4Very high10 Ų1069 Ų695%0.05235%0.347CS..Hα-helixtrans-62.2-36.1175.9-72.8169.7000112.4V431 E433 N439 M508 N511 N512 K515V431-L435 HydrophobicContact CG1-CD1 4.06Å; V431-L435 WeakPolarHBondContact O-CB 3.41Å; V431-L435 VanDerWaalsContact O-CG 3.29Å; V431-L435 WeakPolarHBondContact O-CG 3.4Å; V431-L435 PolarHBondContact O-N 2.98Å; E433-L435 VanDerWaalsContact C-N 3.33Å; E433-L435 PolarHBondContact O-N 3.42Å; L435-N439 WeakPolarHBondContact O-CB 3.29Å; L435-N439 PolarHBondContact O-N 2.95Å; L435-N439 PolarHBondContact O-ND2 2.84Å; L435-M508 WeakPolarHBondContact CD2-O 3.14Å; L435-M508 HydrophobicContact CD2-SD 3.94Å; L435-N511 HydrophobicContact CD1-CB 4.44Å; L435-N511 HydrophobicContact CD2-CB 3.68Å; L435-N511 HydrophobicContact CG-CB 3.87Å; L435-N512 WeakPolarHBondContact CD2-OD1 3.49Å; L435-K515 HydrophobicContact CD1-CB 4.18Å; L435-K515 HydrophobicContact CD1-CD 3.65Å; L435-K515 HydrophobicContact CD1-CG 4.5Å
436T98.6Very high98.4Very high78 Ų7866.4 Ų66.448%0.47934%0.341SS..Hα-helixtrans-68-55178.5-580000110.7K432 E433 I434 G438 N439 E440K432-T436 WeakPolarHBondContact O-CB 3.32Å; K432-T436 PolarHBondContact O-N 2.84Å; K432-T436 PolarHBondContact O-OG1 2.78Å; E433-T436 WeakPolarHBondContact O-CB 3.44Å; E433-T436 PolarHBondContact O-N 3.37Å; I434-T436 VanDerWaalsContact C-N 3.3Å; I434-T436 PolarHBondContact O-N 2.89Å; T436-G438 VanDerWaalsContact C-N 3.32Å; T436-G438 PolarHBondContact O-N 3.11Å; T436-N439 PolarHBondContact O-N 2.91Å; T436-E440 WeakPolarHBondContact O-CG 3.43Å; T436-E440 PolarHBondContact O-N 3.49Å
437V98.6Very high98.2Very high84 Ų8464.5 Ų64.551%0.50933%0.327SS..Hα-helixtrans-61.8-40179.6177.40000111.4E433 E440 H441E433-V437 PolarHBondContact O-N 2.94Å; V437-E440 PolarHBondContact O-N 3.37Å; V437-H441 WeakPolarHBondContact O-CB 3.46Å; V437-H441 PolarHBondContact O-N 2.99Å
438G98.4Very high98.2Very high7 Ų766.5 Ų66.57%0.07234%0.342CS..Hα-helixtrans-63.6-41.5175.800000113.1I434 T436 H441 W442I434-G438 PolarHBondContact O-N 3.33Å; T436-G438 VanDerWaalsContact C-N 3.32Å; T436-G438 PolarHBondContact O-N 3.11Å; G438-H441 PolarHBondContact O-N 3.46Å; G438-W442 WeakPolarHBondContact O-CB 3.47Å; G438-W442 PolarHBondContact O-N 3.38Å
439N97.9Very high98.2Very high77 Ų7767 Ų6741%0.41235%0.345SS..Hα-helixtrans-66.4-36.8174.6-88.5-77.7000113L435 T436 K443L435-N439 WeakPolarHBondContact O-CB 3.29Å; L435-N439 PolarHBondContact O-N 2.95Å; L435-N439 PolarHBondContact O-ND2 2.84Å; T436-N439 PolarHBondContact O-N 2.91Å; N439-K443 WeakPolarHBondContact O-CD 3.47Å; N439-K443 VanDerWaalsContact O-CG 3.26Å; N439-K443 WeakPolarHBondContact O-CG 3.45Å; N439-K443 PolarHBondContact O-N 2.97Å; N439-K443 VanDerWaalsContact O-N 3.1Å
440E98.4Very high98.2Very high126 Ų12663.8 Ų63.859%0.58933%0.328SS*.Hα-helixtrans-66.2-45.3173.9-70.9-179.5175.700111.6T436 V437 K443 R444T436-E440 WeakPolarHBondContact O-CG 3.43Å; T436-E440 PolarHBondContact O-N 3.49Å; V437-E440 PolarHBondContact O-N 3.37Å; E440-K443 PolarHBondContact O-N 3.41Å; E440-R444 PolarHBondContact O-N 3.17Å
441H98.5Very high98.2Very high77 Ų7766.6 Ų66.636%0.35633%0.332SS..Hα-helixtrans-63.1-43.8176.7-171.963.7000111.6V437 G438 K443 R444 C445V437-H441 WeakPolarHBondContact O-CB 3.46Å; V437-H441 PolarHBondContact O-N 2.99Å; G438-H441 PolarHBondContact O-N 3.46Å; H441-K443 PolarHBondContact O-N 3.46Å; H441-R444 WeakPolarHBondContact O-CB 3.37Å; H441-R444 PolarHBondContact O-N 3.45Å; H441-R444 VanDerWaalsContact O-N 3.14Å; H441-C445 PolarHBondContact CE1-SG 3.29Å; H441-C445 PolarHBondContact NE2-SG 3.4Å; H441-C445 VanDerWaalsContact NE2-SG 3.45Å; H441-C445 PolarHBondContact O-N 2.93Å; H441-C445 PolarHBondContact O-SG 3.06Å; H441-C445 VanDerWaalsContact O-SG 3.35Å
442W98.3Very high98.2Very high62 Ų6270.7 Ų70.724%0.23535%0.351CS..Hα-helixtrans-53.9-54.8173.5-173-66.3000111.2G438 R444 C445 T446 P500 K501 L504 H505G438-W442 WeakPolarHBondContact O-CB 3.47Å; G438-W442 PolarHBondContact O-N 3.38Å; W442-R444 PolarHBondContact O-N 3.01Å; W442-C445 PolarHBondContact O-N 3.19Å; W442-C445 VanDerWaalsContact O-N 3.11Å; W442-T446 PolarHBondContact O-N 3.06Å; W442-T446 PolarHBondContact O-OG1 3.04Å; W442-P500 HydrophobicContact CD2-CB 3.62Å; W442-P500 HydrophobicContact CE3-CB 3.46Å; W442-P500 VanDerWaalsContact CE3-CB 3.46Å; W442-P500 HydrophobicContact CG-CB 4.3Å; W442-P500 HydrophobicContact CH2-CB 3.88Å; W442-P500 HydrophobicContact CZ2-CB 4.05Å; W442-P500 HydrophobicContact CZ3-CB 3.59Å; W442-P500 WeakPolarHBondContact CZ3-O 3.48Å; W442-K501 HydrophobicContact CH2-CG 4.09Å; W442-K501 HydrophobicContact CZ2-CG 4.17Å; W442-L504 HydrophobicContact CB-CD2 3.88Å; W442-L504 HydrophobicContact CD2-CD2 4.49Å; W442-L504 HydrophobicContact CE3-CB 4.2Å; W442-L504 HydrophobicContact CE3-CD2 3.86Å; W442-L504 HydrophobicContact CE3-CG 3.99Å; W442-L504 HydrophobicContact CZ3-CB 4.37Å; W442-H505 HydrophobicContact CH2-CB 4.04Å; W442-H505 HydrophobicContact CZ3-CB 3.85Å
443K98.1Very high98.2Very high141 Ų14170.4 Ų70.461%0.61335%0.349SS*.Hα-helixtrans-58.5-33.5179.2-72.6167.8-174.4171.50112.5N439 E440 H441 G447 P448N439-K443 WeakPolarHBondContact O-CD 3.47Å; N439-K443 VanDerWaalsContact O-CG 3.26Å; N439-K443 WeakPolarHBondContact O-CG 3.45Å; N439-K443 PolarHBondContact O-N 2.97Å; N439-K443 VanDerWaalsContact O-N 3.1Å; E440-K443 PolarHBondContact O-N 3.41Å; H441-K443 PolarHBondContact O-N 3.46Å; K443-G447 WeakPolarHBondContact O-CA 3.34Å; K443-G447 PolarHBondContact O-N 2.92Å; K443-P448 WeakPolarHBondContact O-CD 3.31Å
444R98.3Very high98.2Very high138 Ų13867.7 Ų67.752%0.52134%0.336SS..Hα-helixtrans-66.8-50.5174.4-173.4175.6-176.9136.55.2111.1E440 H441 W442 G447 P448 L449E440-R444 PolarHBondContact O-N 3.17Å; H441-R444 WeakPolarHBondContact O-CB 3.37Å; H441-R444 PolarHBondContact O-N 3.45Å; H441-R444 VanDerWaalsContact O-N 3.14Å; W442-R444 PolarHBondContact O-N 3.01Å; R444-G447 PolarHBondContact O-N 3.28Å; R444-P448 HydrophobicContact CG-CG 4.25Å; R444-P448 WeakPolarHBondContact O-CD 3.39Å; R444-L449 HydrophobicContact CG-CB 4.22Å; R444-L449 VanDerWaalsContact O-CB 3.31Å; R444-L449 WeakPolarHBondContact O-CB 3.4Å; R444-L449 PolarHBondContact O-N 3.03Å; R444-L449 VanDerWaalsContact O-N 3.12Å
445C98.3Very high98.2Very high11 Ų1173.1 Ų73.17%0.07435%0.352CS..Hα-helixtrans-69.2-31.9-177.3-65.70000113.1H441 W442 P450 V496 A497 P500H441-C445 PolarHBondContact CE1-SG 3.29Å; H441-C445 PolarHBondContact NE2-SG 3.4Å; H441-C445 VanDerWaalsContact NE2-SG 3.45Å; H441-C445 PolarHBondContact O-N 2.93Å; H441-C445 PolarHBondContact O-SG 3.06Å; H441-C445 VanDerWaalsContact O-SG 3.35Å; W442-C445 PolarHBondContact O-N 3.19Å; W442-C445 VanDerWaalsContact O-N 3.11Å; C445-P450 WeakPolarHBondContact O-CD 3.44Å; C445-P450 WeakPolarHBondContact O-CG 3.48Å; C445-V496 HydrophobicContact CB-CG1 4.5Å; C445-A497 WeakPolarHBondContact O-CA 3.21Å; C445-P500 HydrophobicContact CB-CG 3.7Å
446T97Very high98.2Very high64 Ų6476.3 Ų76.339%0.39337%0.368SS..THydrogen-bonded Turntrans-93.77.117570.70000114W442 P500W442-T446 PolarHBondContact O-N 3.06Å; W442-T446 PolarHBondContact O-OG1 3.04Å; T446-P500 HydrophobicContact CG2-CG 4.14Å
447G96.1Very high98.2Very high18 Ų1872.6 Ų72.619%0.18635%0.345CS..THydrogen-bonded Turntrans-132.7-99.9-167.400000114.2K443 R444 K451K443-G447 WeakPolarHBondContact O-CA 3.34Å; K443-G447 PolarHBondContact O-N 2.92Å; R444-G447 PolarHBondContact O-N 3.28Å; G447-K451 WeakPolarHBondContact O-CD 3.41Å; G447-K451 WeakPolarHBondContact O-CE 3.31Å; G447-K451 WeakPolarHBondContact O-CG 3.28Å
448P98.1Very high98.2Very high67 Ų6773.7 Ų73.744%0.43534%0.343SS..Hα-helixtrans-68.8-38.5-178.526.8-35000113.8K443 R444 K451 E452K443-P448 WeakPolarHBondContact O-CD 3.31Å; R444-P448 HydrophobicContact CG-CG 4.25Å; R444-P448 WeakPolarHBondContact O-CD 3.39Å; P448-K451 WeakPolarHBondContact O-CA 3.36Å; P448-K451 WeakPolarHBondContact O-CB 3.4Å; P448-K451 PolarHBondContact O-N 2.86Å; P448-E452 PolarHBondContact O-N 3.45Å; P448-E452 VanDerWaalsContact O-N 3.15Å
449L98.3Very high98.2Very high33 Ų3376.1 Ų76.117%0.17336%0.363CS..Hα-helixtrans-65-45.3-170.1-178.164.5000113.4R444 K451 E452 Y453 V496R444-L449 HydrophobicContact CG-CB 4.22Å; R444-L449 VanDerWaalsContact O-CB 3.31Å; R444-L449 WeakPolarHBondContact O-CB 3.4Å; R444-L449 PolarHBondContact O-N 3.03Å; R444-L449 VanDerWaalsContact O-N 3.12Å; L449-K451 PolarHBondContact O-N 3.43Å; L449-E452 WeakPolarHBondContact O-CB 3.5Å; L449-E452 PolarHBondContact O-N 2.92Å; L449-E452 VanDerWaalsContact O-N 3.13Å; L449-Y453 HydrophobicContact CD1-CD2 4.35Å; L449-Y453 HydrophobicContact CD1-CE2 3.78Å; L449-Y453 HydrophobicContact CD2-CE2 4.5Å; L449-Y453 HydrophobicContact CG-CD2 4.29Å; L449-Y453 HydrophobicContact CG-CE2 3.87Å; L449-Y453 VanDerWaalsContact O-CD2 3.31Å; L449-Y453 WeakPolarHBondContact O-CD2 3.39Å; L449-Y453 PolarHBondContact O-N 3.05Å; L449-V496 HydrophobicContact CB-CG1 4.43Å; L449-V496 HydrophobicContact CD2-CG1 3.71Å; L449-V496 HydrophobicContact CG-CG1 3.92Å
450P98.4Very high98.2Very high8 Ų874.5 Ų74.55%0.05235%0.354CS..Hα-helixtrans-57.2-35.4170.8-27.936.6000113.3C445 E452 Y453 Q454 A493 V496 A497C445-P450 WeakPolarHBondContact O-CD 3.44Å; C445-P450 WeakPolarHBondContact O-CG 3.48Å; P450-E452 VanDerWaalsContact C-N 3.28Å; P450-E452 PolarHBondContact O-N 3.27Å; P450-Y453 PolarHBondContact O-N 2.73Å; P450-Q454 WeakPolarHBondContact O-CG 3.25Å; P450-Q454 PolarHBondContact O-N 3.24Å; P450-A493 HydrophobicContact CB-CB 4.15Å; P450-A493 WeakPolarHBondContact CB-O 3.48Å; P450-A493 VanDerWaalsContact O-CB 3.28Å; P450-A493 WeakPolarHBondContact O-CB 3.28Å; P450-V496 HydrophobicContact CG-CB 4.47Å; P450-V496 HydrophobicContact CG-CG1 4.1Å; P450-A497 HydrophobicContact CB-CB 4.26Å; P450-A497 HydrophobicContact CG-CB 3.73Å
451K98.3Very high98.2Very high121 Ų12170.4 Ų70.453%0.52634%0.335SS..Hα-helixtrans-69-28.1-180-62.7173-175176.80111.8G447 P448 L449 R455G447-K451 WeakPolarHBondContact O-CD 3.41Å; G447-K451 WeakPolarHBondContact O-CE 3.31Å; G447-K451 WeakPolarHBondContact O-CG 3.28Å; P448-K451 WeakPolarHBondContact O-CA 3.36Å; P448-K451 WeakPolarHBondContact O-CB 3.4Å; P448-K451 PolarHBondContact O-N 2.86Å; L449-K451 PolarHBondContact O-N 3.43Å; K451-R455 WeakPolarHBondContact O-CB 3.29Å; K451-R455 WeakPolarHBondContact O-CD 3.42Å; K451-R455 WeakPolarHBondContact O-CG 3.36Å; K451-R455 PolarHBondContact O-N 2.97Å
452E98.4Very high98.2Very high89 Ų8971.8 Ų71.842%0.41635%0.345SS..Hα-helixtrans-67.6-50.7171.8-68.2168.4-167.700110.6P448 L449 P450 Q454 R455 I456P448-E452 PolarHBondContact O-N 3.45Å; P448-E452 VanDerWaalsContact O-N 3.15Å; L449-E452 WeakPolarHBondContact O-CB 3.5Å; L449-E452 PolarHBondContact O-N 2.92Å; L449-E452 VanDerWaalsContact O-N 3.13Å; P450-E452 VanDerWaalsContact C-N 3.28Å; P450-E452 PolarHBondContact O-N 3.27Å; E452-Q454 PolarHBondContact O-N 3.36Å; E452-R455 WeakPolarHBondContact O-CB 3.33Å; E452-R455 PolarHBondContact O-N 3.08Å; E452-R455 VanDerWaalsContact O-N 3.11Å; E452-I456 WeakPolarHBondContact O-CG1 3.45Å; E452-I456 PolarHBondContact O-N 3.03Å
453Y98.7Very high98.2Very high70 Ų7072.4 Ų72.428%0.27535%0.352SS..Hα-helixtrans-58-43.7174.7-72.2-72.9000112.5L449 P450 R455 I456 G457 Y489 I492 V496L449-Y453 HydrophobicContact CD1-CD2 4.35Å; L449-Y453 HydrophobicContact CD1-CE2 3.78Å; L449-Y453 HydrophobicContact CD2-CE2 4.5Å; L449-Y453 HydrophobicContact CG-CD2 4.29Å; L449-Y453 HydrophobicContact CG-CE2 3.87Å; L449-Y453 VanDerWaalsContact O-CD2 3.31Å; L449-Y453 WeakPolarHBondContact O-CD2 3.39Å; L449-Y453 PolarHBondContact O-N 3.05Å; P450-Y453 PolarHBondContact O-N 2.73Å; Y453-R455 PolarHBondContact O-N 2.68Å; Y453-I456 PolarHBondContact O-N 3.33Å; Y453-G457 PolarHBondContact O-N 2.99Å; Y453-Y489 AromaticContact CD1-CD1 3.9Å; Y453-Y489 HydrophobicContact CD1-CD1 3.9Å; Y453-Y489 HydrophobicContact CD1-CE1 4.17Å; Y453-I492 HydrophobicContact CD1-CG2 3.77Å; Y453-I492 HydrophobicContact CD2-CG2 4.5Å; Y453-I492 HydrophobicContact CE1-CG2 3.85Å; Y453-I492 HydrophobicContact CG-CG2 4.13Å; Y453-V496 HydrophobicContact CD2-CG2 4.09Å; Y453-V496 HydrophobicContact CE2-CG2 3.81Å
454Q98.4Very high98.1Very high70 Ų7065.8 Ų65.833%0.32732%0.324SS..Hα-helixtrans-61.9-38174.3-73.6174.20.600113.1P450 E452 G457 K458 A493P450-Q454 WeakPolarHBondContact O-CG 3.25Å; P450-Q454 PolarHBondContact O-N 3.24Å; E452-Q454 PolarHBondContact O-N 3.36Å; Q454-G457 PolarHBondContact O-N 2.99Å; Q454-K458 WeakPolarHBondContact O-CB 3.26Å; Q454-K458 WeakPolarHBondContact O-CG 3.1Å; Q454-K458 PolarHBondContact O-N 3.4Å; Q454-A493 HydrophobicContact CG-CB 3.6Å
455R98.6Very high98.1Very high184 Ų18463.7 Ų63.769%0.69433%0.326SS*.Hα-helixtrans-66.4-41.4176.9-78.1167-179.4-1750.2111.4K451 E452 Y453 A459K451-R455 WeakPolarHBondContact O-CB 3.29Å; K451-R455 WeakPolarHBondContact O-CD 3.42Å; K451-R455 WeakPolarHBondContact O-CG 3.36Å; K451-R455 PolarHBondContact O-N 2.97Å; E452-R455 WeakPolarHBondContact O-CB 3.33Å; E452-R455 PolarHBondContact O-N 3.08Å; E452-R455 VanDerWaalsContact O-N 3.11Å; Y453-R455 PolarHBondContact O-N 2.68Å; R455-A459 WeakPolarHBondContact O-CB 3.49Å; R455-A459 PolarHBondContact O-N 3.28Å
456I98.6Very high98.1Very high77 Ų7767.5 Ų67.540%0.39535%0.349SS..Hα-helixtrans-61.6-48.8173.8-63.4164.3000109.8E452 Y453 K458 A459 L460 Y489E452-I456 WeakPolarHBondContact O-CG1 3.45Å; E452-I456 PolarHBondContact O-N 3.03Å; Y453-I456 PolarHBondContact O-N 3.33Å; I456-K458 VanDerWaalsContact C-N 3.33Å; I456-K458 PolarHBondContact O-N 3.5Å; I456-A459 PolarHBondContact O-N 3.48Å; I456-A459 VanDerWaalsContact O-N 3.14Å; I456-L460 HydrophobicContact CG2-CD1 4.29Å; I456-L460 WeakPolarHBondContact O-CG 3.27Å; I456-L460 PolarHBondContact O-N 2.83Å; I456-L460 VanDerWaalsContact O-N 3.08Å; I456-Y489 HydrophobicContact CB-CD1 3.86Å; I456-Y489 HydrophobicContact CB-CE1 4.28Å; I456-Y489 HydrophobicContact CB-CG 4.44Å; I456-Y489 HydrophobicContact CD1-CD1 4.35Å; I456-Y489 HydrophobicContact CD1-CE1 4.17Å; I456-Y489 HydrophobicContact CG2-CD1 3.5Å; I456-Y489 HydrophobicContact CG2-CD2 4.35Å; I456-Y489 HydrophobicContact CG2-CE1 3.62Å; I456-Y489 HydrophobicContact CG2-CE2 4.43Å; I456-Y489 HydrophobicContact CG2-CG 3.91Å
457G98.4Very high98Very high0 Ų067.8 Ų67.80%035%0.345CS..Hα-helixtrans-57.7-42.3179.500000113.7Y453 Q454 Q461 G486Y453-G457 PolarHBondContact O-N 2.99Å; Q454-G457 PolarHBondContact O-N 2.99Å; G457-Q461 PolarHBondContact O-N 3.37Å; G457-Q461 PolarHBondContact O-NE2 2.88Å; G457-G486 WeakPolarHBondContact CA-O 3.35Å; G457-G486 VanDerWaalsContact O-CA 3.23Å; G457-G486 WeakPolarHBondContact O-CA 3.25Å
458K98.5Very high98Very high107 Ų10770.8 Ų70.847%0.46536%0.36SS..Hα-helixtrans-70.6-36.6175.5-71.5176.4179.7177.10113Q454 I456 L460 Q461 N462 E490Q454-K458 WeakPolarHBondContact O-CB 3.26Å; Q454-K458 WeakPolarHBondContact O-CG 3.1Å; Q454-K458 PolarHBondContact O-N 3.4Å; I456-K458 VanDerWaalsContact C-N 3.33Å; I456-K458 PolarHBondContact O-N 3.5Å; K458-L460 VanDerWaalsContact C-N 3.34Å; K458-L460 PolarHBondContact O-N 3.2Å; K458-Q461 PolarHBondContact O-N 3.33Å; K458-N462 WeakPolarHBondContact O-CB 3.35Å; K458-N462 PolarHBondContact O-N 3.05Å; K458-N462 PolarHBondContact O-ND2 3.15Å; K458-N462 PolarHBondContact O-OD1 2.89Å; K458-E490 VanDerWaalsContact CG-OE1 3.22Å; K458-E490 WeakPolarHBondContact CG-OE1 3.45Å
459A98.7Very high97.8Very high58 Ų5872.2 Ų72.248%0.47937%0.371SS..Hα-helixtrans-62.2-41.4176.400000111.8R455 I456 N462 L463R455-A459 WeakPolarHBondContact O-CB 3.49Å; R455-A459 PolarHBondContact O-N 3.28Å; I456-A459 PolarHBondContact O-N 3.48Å; I456-A459 VanDerWaalsContact O-N 3.14Å; A459-N462 PolarHBondContact O-N 3.11Å; A459-L463 WeakPolarHBondContact O-CB 3.35Å; A459-L463 PolarHBondContact O-N 3.28Å
460L98.4Very high97.7Very high43 Ų4374.2 Ų74.223%0.22539%0.388CS..Hα-helixtrans-64.8-44.8176-66.7172.6000112.4I456 K458 L463 S464 L482 A485 Y489I456-L460 HydrophobicContact CG2-CD1 4.29Å; I456-L460 WeakPolarHBondContact O-CG 3.27Å; I456-L460 PolarHBondContact O-N 2.83Å; I456-L460 VanDerWaalsContact O-N 3.08Å; K458-L460 VanDerWaalsContact C-N 3.34Å; K458-L460 PolarHBondContact O-N 3.2Å; L460-L463 PolarHBondContact O-N 2.83Å; L460-S464 PolarHBondContact O-N 2.83Å; L460-L482 HydrophobicContact CD2-CD2 4.33Å; L460-A485 HydrophobicContact CD1-CB 4.3Å; L460-Y489 HydrophobicContact CD1-CD2 4.03Å; L460-Y489 HydrophobicContact CD1-CE2 4.31Å
461Q98.2Very high97.3Very high40 Ų4076.1 Ų76.119%0.18741%0.409CS..Hα-helixtrans-65.2-38.7176.1-74.9167.798.400112.6G457 K458 S464 T465 T483 E490G457-Q461 PolarHBondContact O-N 3.37Å; G457-Q461 PolarHBondContact O-NE2 2.88Å; K458-Q461 PolarHBondContact O-N 3.33Å; Q461-S464 PolarHBondContact O-N 3.35Å; Q461-T465 PolarHBondContact O-N 3Å; Q461-T465 PolarHBondContact O-OG1 3.06Å; Q461-T483 HydrophobicContact CG-CG2 4.45Å; Q461-E490 PolarHBondContact NE2-OE1 2.87Å
462N98.3Very high97.1Very high106 Ų10678 Ų7857%0.56741%0.414SS*.Hα-helixtrans-63.4-43.3174.3-72.1-10.4000111.1K458 A459 T465 V466K458-N462 WeakPolarHBondContact O-CB 3.35Å; K458-N462 PolarHBondContact O-N 3.05Å; K458-N462 PolarHBondContact O-ND2 3.15Å; K458-N462 PolarHBondContact O-OD1 2.89Å; A459-N462 PolarHBondContact O-N 3.11Å; N462-T465 WeakPolarHBondContact O-CB 3.38Å; N462-T465 PolarHBondContact O-N 2.85Å; N462-V466 WeakPolarHBondContact O-CG2 3.5Å; N462-V466 PolarHBondContact O-N 2.98Å
463L97.8Very high96.4Very high75 Ų7582.1 Ų82.139%0.39343%0.433SS..Hα-helixtrans-62.1-44.2176.2-17662.7000111.7A459 L460 T465 V466 F467A459-L463 WeakPolarHBondContact O-CB 3.35Å; A459-L463 PolarHBondContact O-N 3.28Å; L460-L463 PolarHBondContact O-N 2.83Å; L463-T465 VanDerWaalsContact C-N 3.3Å; L463-T465 PolarHBondContact O-N 3.09Å; L463-V466 PolarHBondContact O-N 2.85Å; L463-F467 HydrophobicContact CD1-CD1 4.2Å; L463-F467 HydrophobicContact CD1-CE1 3.53Å; L463-F467 HydrophobicContact CD1-CE2 4.49Å; L463-F467 HydrophobicContact CD1-CZ 3.71Å; L463-F467 HydrophobicContact CD2-CE2 4.42Å; L463-F467 HydrophobicContact CD2-CZ 4.12Å; L463-F467 HydrophobicContact CG-CE1 4.04Å; L463-F467 HydrophobicContact CG-CE2 4.13Å; L463-F467 HydrophobicContact CG-CZ 3.81Å; L463-F467 PolarHBondContact O-N 2.85Å
464S96.9Very high95.9Very high2 Ų281.1 Ų81.11%0.01444%0.444CS..Hα-helixtrans-58.9-40.5173.5-179.50000112.9L460 Q461 V466 F467 T468 T479 T483L460-S464 PolarHBondContact O-N 2.83Å; Q461-S464 PolarHBondContact O-N 3.35Å; S464-V466 VanDerWaalsContact C-N 3.35Å; S464-V466 PolarHBondContact O-N 2.73Å; S464-F467 PolarHBondContact O-N 2.85Å; S464-T468 WeakPolarHBondContact O-CB 3.34Å; S464-T468 PolarHBondContact O-N 2.8Å; S464-T468 PolarHBondContact O-OG1 3.07Å; S464-T479 VanDerWaalsContact OG-C 3.26Å; S464-T479 WeakPolarHBondContact OG-CA 3.24Å; S464-T479 VanDerWaalsContact OG-CB 3.3Å; S464-T479 WeakPolarHBondContact OG-CB 3.2Å; S464-T479 PolarHBondContact OG-O 3.44Å; S464-T483 WeakPolarHBondContact CB-OG1 3.38Å; S464-T483 PolarHBondContact OG-OG1 2.97Å
465T97.1Very high95.5Very high94 Ų9479.5 Ų79.558%0.57744%0.437SS*.Hα-helixtrans-63.6-40.8176.2-550000111.4Q461 N462 L463 S469Q461-T465 PolarHBondContact O-N 3Å; Q461-T465 PolarHBondContact O-OG1 3.06Å; N462-T465 WeakPolarHBondContact O-CB 3.38Å; N462-T465 PolarHBondContact O-N 2.85Å; L463-T465 VanDerWaalsContact C-N 3.3Å; L463-T465 PolarHBondContact O-N 3.09Å; T465-S469 PolarHBondContact O-N 3.1Å; T465-S469 VanDerWaalsContact O-N 3.14Å
466V97.7Very high95Very high92 Ų9273.7 Ų73.756%0.55843%0.425SS*.Hα-helixtrans-64.6-44.3175.2171.30000111.2N462 L463 S464 S469N462-V466 WeakPolarHBondContact O-CG2 3.5Å; N462-V466 PolarHBondContact O-N 2.98Å; L463-V466 PolarHBondContact O-N 2.85Å; S464-V466 VanDerWaalsContact C-N 3.35Å; S464-V466 PolarHBondContact O-N 2.73Å; V466-S469 WeakPolarHBondContact O-CB 3.5Å; V466-S469 PolarHBondContact O-N 2.84Å; V466-S469 PolarHBondContact O-OG 2.77Å
467F96.4Very high94.7Very high70 Ų7073.7 Ų73.731%0.30743%0.428SS..Hα-helixtrans-60.8-51176.1-69.8-3.7000111L463 S464 S469 S470 L478 T479 L482L463-F467 HydrophobicContact CD1-CD1 4.2Å; L463-F467 HydrophobicContact CD1-CE1 3.53Å; L463-F467 HydrophobicContact CD1-CE2 4.49Å; L463-F467 HydrophobicContact CD1-CZ 3.71Å; L463-F467 HydrophobicContact CD2-CE2 4.42Å; L463-F467 HydrophobicContact CD2-CZ 4.12Å; L463-F467 HydrophobicContact CG-CE1 4.04Å; L463-F467 HydrophobicContact CG-CE2 4.13Å; L463-F467 HydrophobicContact CG-CZ 3.81Å; L463-F467 PolarHBondContact O-N 2.85Å; S464-F467 PolarHBondContact O-N 2.85Å; F467-S469 PolarHBondContact O-N 3.44Å; F467-S470 WeakPolarHBondContact O-CB 3.4Å; F467-S470 PolarHBondContact O-N 3.01Å; F467-S470 PolarHBondContact O-OG 3.42Å; F467-L478 HydrophobicContact CD2-CD2 4.39Å; F467-L478 HydrophobicContact CE2-CD2 4.35Å; F467-T479 HydrophobicContact CB-CG2 3.58Å; F467-T479 HydrophobicContact CD2-CG2 4.45Å; F467-L482 HydrophobicContact CD2-CD1 3.73Å; F467-L482 HydrophobicContact CE2-CD1 3.68Å
468T94.8Very high94.5Very high81 Ų8176.8 Ų76.850%0.49745%0.445SS..Hα-helixtrans-54.6-28.1176.8-53.70000113.2S464 S470 G471S464-T468 WeakPolarHBondContact O-CB 3.34Å; S464-T468 PolarHBondContact O-N 2.8Å; S464-T468 PolarHBondContact O-OG1 3.07Å; T468-S470 PolarHBondContact O-N 3.4Å; T468-G471 PolarHBondContact O-N 3.18Å
469S95.2Very high94.3Very high96 Ų9672.1 Ų72.167%0.67143%0.425SS*.THydrogen-bonded Turntrans-69.8-11.5175.881.60000114.7T465 V466 F467 G471T465-S469 PolarHBondContact O-N 3.1Å; T465-S469 VanDerWaalsContact O-N 3.14Å; V466-S469 WeakPolarHBondContact O-CB 3.5Å; V466-S469 PolarHBondContact O-N 2.84Å; V466-S469 PolarHBondContact O-OG 2.77Å; F467-S469 PolarHBondContact O-N 3.44Å; S469-G471 VanDerWaalsContact C-N 3.25Å; S469-G471 PolarHBondContact O-N 2.84Å
470S95.1Very high94.1Very high76 Ų7674.3 Ų74.353%0.53143%0.429SS..THydrogen-bonded Turntrans-67.2-27.3174.997.10000112.7F467 T468 Y472 E475F467-S470 WeakPolarHBondContact O-CB 3.4Å; F467-S470 PolarHBondContact O-N 3.01Å; F467-S470 PolarHBondContact O-OG 3.42Å; T468-S470 PolarHBondContact O-N 3.4Å; S470-Y472 PolarHBondContact O-N 3.25Å; S470-Y472 VanDerWaalsContact OG-CB 3.26Å; S470-Y472 WeakPolarHBondContact OG-CB 3.46Å; S470-Y472 PolarHBondContact OG-N 3.28Å; S470-E475 PolarHBondContact OG-OE1 3.46Å
471G90.9Very high94Very high48 Ų4872.4 Ų72.450%0.49542%0.419SS..  trans75.23.3-174.800000114.7T468 S469 Q473T468-G471 PolarHBondContact O-N 3.18Å; S469-G471 VanDerWaalsContact C-N 3.25Å; S469-G471 PolarHBondContact O-N 2.84Å; G471-Q473 PolarHBondContact O-N 2.88Å; G471-Q473 PolarHBondContact O-NE2 3.44Å
472Y93.1Very high93.9Very high161 Ų16171.3 Ų71.363%0.63141%0.414SS*.  trans-68.4120.4179.1179.3-110.8000111.3S470 G474 E475S470-Y472 PolarHBondContact O-N 3.25Å; S470-Y472 VanDerWaalsContact OG-CB 3.26Å; S470-Y472 WeakPolarHBondContact OG-CB 3.46Å; S470-Y472 PolarHBondContact OG-N 3.28Å; Y472-G474 VanDerWaalsContact CE1-CA 3.44Å; Y472-G474 PolarHBondContact O-N 2.9Å; Y472-G474 VanDerWaalsContact O-N 3.13Å; Y472-E475 HydrophobicContact CD1-CB 4.01Å; Y472-E475 HydrophobicContact CD1-CG 4.3Å
473Q85.4Confident93.9Very high174 Ų17467.9 Ų67.981%0.81340%0.397SS*.THydrogen-bonded Turntrans-72-8.5-171.5-59.3-62.1-72.500114.4G471G471-Q473 PolarHBondContact O-N 2.88Å; G471-Q473 PolarHBondContact O-NE2 3.44Å
474G87.1Confident93.9Very high49 Ų4965.2 Ų65.251%0.50539%0.386SS..THydrogen-bonded Turntrans-98.6-0.3-17500000115.9Y472Y472-G474 VanDerWaalsContact CE1-CA 3.44Å; Y472-G474 PolarHBondContact O-N 2.9Å; Y472-G474 VanDerWaalsContact O-N 3.13Å
475E90.3Very high94Very high36 Ų3665.6 Ų65.617%0.16839%0.389CS..  trans-103.3-0.5-173.970.3-164.5157.600115.5S470 Y472 T477 L478 T479S470-E475 PolarHBondContact OG-OE1 3.46Å; Y472-E475 HydrophobicContact CD1-CB 4.01Å; Y472-E475 HydrophobicContact CD1-CG 4.3Å; E475-T477 VanDerWaalsContact C-N 3.31Å; E475-T477 PolarHBondContact O-N 3.33Å; E475-L478 WeakPolarHBondContact O-CB 3.43Å; E475-L478 PolarHBondContact O-N 2.98Å; E475-T479 HydrophobicContact CG-CG2 4.09Å; E475-T479 PolarHBondContact O-N 3.39Å
476S88.6Confident94Very high63 Ų6361.1 Ų61.144%0.44136%0.362SS..Hα-helixtrans-54.6-42.1-174.652.60000113.6L478 T479 D480S476-L478 PolarHBondContact O-N 3.12Å; S476-T479 WeakPolarHBondContact CA-OG1 3.35Å; S476-T479 PolarHBondContact O-N 3.14Å; S476-T479 PolarHBondContact O-OG1 2.9Å; S476-D480 WeakPolarHBondContact O-CB 3.18Å; S476-D480 PolarHBondContact O-N 3.44Å
477T91.6Very high94.1Very high77 Ų7762 Ų6247%0.47236%0.358SS..Hα-helixtrans-57.5-36.7176.2-48.60000112.6E475 A481 T611E475-T477 VanDerWaalsContact C-N 3.31Å; E475-T477 PolarHBondContact O-N 3.33Å; T477-A481 VanDerWaalsContact O-CB 3.3Å; T477-A481 WeakPolarHBondContact O-CB 3.28Å; T477-A481 PolarHBondContact O-N 3.22Å; T477-T611 HydrophobicContact CG2-CG2 4.15Å
478L93.6Very high94.2Very high65 Ų6559.2 Ų59.234%0.3435%0.347SS..Hα-helixtrans-76.9-42.3178.1175.362.6000111.5F467 E475 S476 A481 L482 F610F467-L478 HydrophobicContact CD2-CD2 4.39Å; F467-L478 HydrophobicContact CE2-CD2 4.35Å; E475-L478 WeakPolarHBondContact O-CB 3.43Å; E475-L478 PolarHBondContact O-N 2.98Å; S476-L478 PolarHBondContact O-N 3.12Å; L478-A481 PolarHBondContact O-N 3.29Å; L478-L482 HydrophobicContact CD1-CD1 4.15Å; L478-L482 HydrophobicContact CD1-CG 4.27Å; L478-L482 HydrophobicContact CG-CD1 4.08Å; L478-L482 WeakPolarHBondContact O-CB 3.43Å; L478-L482 WeakPolarHBondContact O-CG 3.3Å; L478-L482 PolarHBondContact O-N 3.43Å; L478-F610 HydrophobicContact CD1-CD1 4.29Å; L478-F610 HydrophobicContact CD1-CE1 4.07Å
479T94.9Very high94.4Very high8 Ų858.7 Ų58.75%0.04934%0.336CS..Hα-helixtrans-70.9-38.3-178.357.60000111.9S464 F467 E475 S476 L482 T483S464-T479 VanDerWaalsContact OG-C 3.26Å; S464-T479 WeakPolarHBondContact OG-CA 3.24Å; S464-T479 VanDerWaalsContact OG-CB 3.3Å; S464-T479 WeakPolarHBondContact OG-CB 3.2Å; S464-T479 PolarHBondContact OG-O 3.44Å; F467-T479 HydrophobicContact CB-CG2 3.58Å; F467-T479 HydrophobicContact CD2-CG2 4.45Å; E475-T479 HydrophobicContact CG-CG2 4.09Å; E475-T479 PolarHBondContact O-N 3.39Å; S476-T479 WeakPolarHBondContact CA-OG1 3.35Å; S476-T479 PolarHBondContact O-N 3.14Å; S476-T479 PolarHBondContact O-OG1 2.9Å; T479-L482 PolarHBondContact O-N 3.31Å; T479-T483 WeakPolarHBondContact O-CB 3.48Å; T479-T483 PolarHBondContact O-N 3.08Å; T479-T483 PolarHBondContact O-OG1 3.25Å; T479-T483 VanDerWaalsContact O-OG1 3.06Å
480D94.5Very high94.5Very high105 Ų10557 Ų5756%0.56132%0.317SS*.Hα-helixtrans-62.5-46.1172.6-73.2-27.2000111.2S476 L482 T483 A484S476-D480 WeakPolarHBondContact O-CB 3.18Å; S476-D480 PolarHBondContact O-N 3.44Å; D480-L482 PolarHBondContact O-N 3.11Å; D480-T483 PolarHBondContact O-N 2.99Å; D480-A484 WeakPolarHBondContact O-CB 3.39Å; D480-A484 PolarHBondContact O-N 3.41Å
481A96.4Very high94.7Very high2 Ų257.6 Ų57.62%0.01731%0.312CS..Hα-helixtrans-63.2-41.4176.900000112.9T477 L478 A484 A485 Q609 F610T477-A481 VanDerWaalsContact O-CB 3.3Å; T477-A481 WeakPolarHBondContact O-CB 3.28Å; T477-A481 PolarHBondContact O-N 3.22Å; L478-A481 PolarHBondContact O-N 3.29Å; A481-A484 PolarHBondContact O-N 3.29Å; A481-A485 WeakPolarHBondContact O-CB 3.44Å; A481-A485 PolarHBondContact O-N 3.39Å; A481-Q609 HydrophobicContact CB-CB 3.97Å; A481-F610 HydrophobicContact CB-CD1 3.93Å; A481-F610 HydrophobicContact CB-CD2 4.14Å; A481-F610 HydrophobicContact CB-CE1 3.79Å; A481-F610 HydrophobicContact CB-CE2 4Å; A481-F610 HydrophobicContact CB-CG 4.11Å; A481-F610 HydrophobicContact CB-CZ 3.82Å
482L97.1Very high95.1Very high18 Ų1855.3 Ų55.39%0.09429%0.289CS..Hα-helixtrans-63.2-41.3173.5-77.9169.5000112.4L460 F467 L478 T479 D480 G486 F610L460-L482 HydrophobicContact CD2-CD2 4.33Å; F467-L482 HydrophobicContact CD2-CD1 3.73Å; F467-L482 HydrophobicContact CE2-CD1 3.68Å; L478-L482 HydrophobicContact CD1-CD1 4.15Å; L478-L482 HydrophobicContact CD1-CG 4.27Å; L478-L482 HydrophobicContact CG-CD1 4.08Å; L478-L482 WeakPolarHBondContact O-CB 3.43Å; L478-L482 WeakPolarHBondContact O-CG 3.3Å; L478-L482 PolarHBondContact O-N 3.43Å; T479-L482 PolarHBondContact O-N 3.31Å; D480-L482 PolarHBondContact O-N 3.11Å; L482-G486 PolarHBondContact O-N 3Å; L482-F610 HydrophobicContact CD2-CE1 4.24Å; L482-F610 HydrophobicContact CD2-CZ 4.21Å; L482-F610 HydrophobicContact CG-CE1 4.22Å; L482-F610 HydrophobicContact CG-CZ 4.38Å
483T97.7Very high95.3Very high34 Ų3447.7 Ų47.721%0.20926%0.259CS..Hα-helixtrans-63.6-44.7175.7-69.50000111.1Q461 S464 T479 D480 G486 K487Q461-T483 HydrophobicContact CG-CG2 4.45Å; S464-T483 WeakPolarHBondContact CB-OG1 3.38Å; S464-T483 PolarHBondContact OG-OG1 2.97Å; T479-T483 WeakPolarHBondContact O-CB 3.48Å; T479-T483 PolarHBondContact O-N 3.08Å; T479-T483 PolarHBondContact O-OG1 3.25Å; T479-T483 VanDerWaalsContact O-OG1 3.06Å; D480-T483 PolarHBondContact O-N 2.99Å; T483-G486 PolarHBondContact O-N 3.01Å; T483-K487 HydrophobicContact CG2-CD 4.4Å; T483-K487 WeakPolarHBondContact O-CG 3.44Å; T483-K487 PolarHBondContact O-N 3.12Å
484A97.5Very high95.9Very high18 Ų1844.1 Ų44.115%0.14924%0.242CC..Hα-helixtrans-66-44.3178.700000112.2D480 A481 G486 K487 T488D480-A484 WeakPolarHBondContact O-CB 3.39Å; D480-A484 PolarHBondContact O-N 3.41Å; A481-A484 PolarHBondContact O-N 3.29Å; A484-G486 VanDerWaalsContact C-N 3.28Å; A484-G486 PolarHBondContact O-N 3.37Å; A484-K487 PolarHBondContact O-N 3.44Å; A484-T488 PolarHBondContact O-N 2.96Å; A484-T488 PolarHBondContact O-OG1 3.4Å
485A98.3Very high96.5Very high10 Ų1043.2 Ų43.28%0.08323%0.226CC..Hα-helixtrans-57-43.8172.300000111.3L460 A481 K487 T488 Y489 A606 F610L460-A485 HydrophobicContact CD1-CB 4.3Å; A481-A485 WeakPolarHBondContact O-CB 3.44Å; A481-A485 PolarHBondContact O-N 3.39Å; A485-K487 PolarHBondContact O-N 3.27Å; A485-T488 WeakPolarHBondContact O-CB 3.29Å; A485-T488 PolarHBondContact O-N 2.97Å; A485-Y489 WeakPolarHBondContact O-CD2 3.05Å; A485-Y489 PolarHBondContact O-N 2.95Å; A485-A606 HydrophobicContact CB-CB 4.45Å; A485-F610 HydrophobicContact CB-CE2 4.11Å; A485-F610 HydrophobicContact CB-CZ 4.26Å
486G98.4Very high96.8Very high0 Ų041.8 Ų41.80%022%0.219CC..Hα-helixtrans-59.2-44.7175.800000113.5G457 L482 T483 A484 Y489 E490G457-G486 WeakPolarHBondContact CA-O 3.35Å; G457-G486 VanDerWaalsContact O-CA 3.23Å; G457-G486 WeakPolarHBondContact O-CA 3.25Å; L482-G486 PolarHBondContact O-N 3Å; T483-G486 PolarHBondContact O-N 3.01Å; A484-G486 VanDerWaalsContact C-N 3.28Å; A484-G486 PolarHBondContact O-N 3.37Å; G486-Y489 PolarHBondContact O-N 2.71Å; G486-E490 PolarHBondContact O-N 2.82Å
487K98.4Very high97.3Very high111 Ų11140 Ų4048%0.48321%0.208SC..Hα-helixtrans-62.4-40.8173.1-70.3172.7-178.9174.10112.2T483 A484 A485 Y489 E490 E491T483-K487 HydrophobicContact CG2-CD 4.4Å; T483-K487 WeakPolarHBondContact O-CG 3.44Å; T483-K487 PolarHBondContact O-N 3.12Å; A484-K487 PolarHBondContact O-N 3.44Å; A485-K487 PolarHBondContact O-N 3.27Å; K487-Y489 VanDerWaalsContact C-N 3.28Å; K487-Y489 PolarHBondContact O-N 3.02Å; K487-E490 WeakPolarHBondContact O-CB 3.46Å; K487-E490 PolarHBondContact O-N 3.4Å; K487-E491 PolarHBondContact O-N 3.07Å
488T98.7Very high97.6Very high12 Ų1240 Ų407%0.07420%0.203CC..Hα-helixtrans-59.4-38.2175.8-56.50000112.1A484 A485 E491 I492 K602 A606A484-T488 PolarHBondContact O-N 2.96Å; A484-T488 PolarHBondContact O-OG1 3.4Å; A485-T488 WeakPolarHBondContact O-CB 3.29Å; A485-T488 PolarHBondContact O-N 2.97Å; T488-E491 PolarHBondContact O-N 2.85Å; T488-I492 HydrophobicContact CG2-CD1 4.11Å; T488-I492 VanDerWaalsContact O-CG1 3.28Å; T488-I492 WeakPolarHBondContact O-CG1 3.49Å; T488-I492 PolarHBondContact O-N 3.3Å; T488-K602 HydrophobicContact CG2-CB 3.87Å; T488-A606 HydrophobicContact CG2-CB 4.08Å
489Y98.8Very high97.8Very high69 Ų6937.3 Ų37.327%0.27119%0.188SC..Hα-helixtrans-66.4-34.7173.5-91.3-94.6000113Y453 I456 L460 A485 G486 K487 A493 L603Y453-Y489 AromaticContact CD1-CD1 3.9Å; Y453-Y489 HydrophobicContact CD1-CD1 3.9Å; Y453-Y489 HydrophobicContact CD1-CE1 4.17Å; I456-Y489 HydrophobicContact CB-CD1 3.86Å; I456-Y489 HydrophobicContact CB-CE1 4.28Å; I456-Y489 HydrophobicContact CB-CG 4.44Å; I456-Y489 HydrophobicContact CD1-CD1 4.35Å; I456-Y489 HydrophobicContact CD1-CE1 4.17Å; I456-Y489 HydrophobicContact CG2-CD1 3.5Å; I456-Y489 HydrophobicContact CG2-CD2 4.35Å; I456-Y489 HydrophobicContact CG2-CE1 3.62Å; I456-Y489 HydrophobicContact CG2-CE2 4.43Å; I456-Y489 HydrophobicContact CG2-CG 3.91Å; L460-Y489 HydrophobicContact CD1-CD2 4.03Å; L460-Y489 HydrophobicContact CD1-CE2 4.31Å; A485-Y489 WeakPolarHBondContact O-CD2 3.05Å; A485-Y489 PolarHBondContact O-N 2.95Å; G486-Y489 PolarHBondContact O-N 2.71Å; K487-Y489 VanDerWaalsContact C-N 3.28Å; K487-Y489 PolarHBondContact O-N 3.02Å; Y489-A493 PolarHBondContact O-N 2.58Å; Y489-A493 VanDerWaalsContact O-N 3.08Å; Y489-L603 HydrophobicContact CE2-CD2 4.14Å
490E98.4Very high98Very high60 Ų6037.1 Ų37.128%0.2819%0.187SC..Hα-helixtrans-69-37172.2-66.4-171.5-156.700112.4K458 Q461 G486 K487 A493 Q494K458-E490 VanDerWaalsContact CG-OE1 3.22Å; K458-E490 WeakPolarHBondContact CG-OE1 3.45Å; Q461-E490 PolarHBondContact NE2-OE1 2.87Å; G486-E490 PolarHBondContact O-N 2.82Å; K487-E490 WeakPolarHBondContact O-CB 3.46Å; K487-E490 PolarHBondContact O-N 3.4Å; E490-A493 WeakPolarHBondContact O-CB 3.41Å; E490-A493 PolarHBondContact O-N 2.59Å; E490-Q494 PolarHBondContact O-N 3.31Å
491E98.5Very high98.1Very high89 Ų8938.8 Ų38.842%0.41619%0.19SC..Hα-helixtrans-65.2-41.5172.6-68.8175.6-162.700112.3K487 T488 A493 Q494 L495 K602K487-E491 PolarHBondContact O-N 3.07Å; T488-E491 PolarHBondContact O-N 2.85Å; E491-A493 VanDerWaalsContact C-N 3.27Å; E491-A493 PolarHBondContact O-N 2.99Å; E491-Q494 PolarHBondContact O-N 3.31Å; E491-L495 PolarHBondContact O-N 3.31Å; E491-K602 HydrophobicContact CB-CD 4.38Å; E491-K602 IonicContact OE2-NZ 2.65Å; E491-K602 PolarHBondContact OE2-NZ 2.99Å
492I98.8Very high98.1Very high1 Ų142.5 Ų42.51%0.00521%0.205CC..Hα-helixtrans-60.9-38.6174.3-71164000110.5Y453 T488 Q494 L495 V496 I599 K602 L603Y453-I492 HydrophobicContact CD1-CG2 3.77Å; Y453-I492 HydrophobicContact CD2-CG2 4.5Å; Y453-I492 HydrophobicContact CE1-CG2 3.85Å; Y453-I492 HydrophobicContact CG-CG2 4.13Å; T488-I492 HydrophobicContact CG2-CD1 4.11Å; T488-I492 VanDerWaalsContact O-CG1 3.28Å; T488-I492 WeakPolarHBondContact O-CG1 3.49Å; T488-I492 PolarHBondContact O-N 3.3Å; I492-Q494 VanDerWaalsContact C-N 3.31Å; I492-Q494 PolarHBondContact O-N 2.81Å; I492-L495 PolarHBondContact O-N 3.37Å; I492-V496 HydrophobicContact CG2-CG2 4.23Å; I492-V496 WeakPolarHBondContact O-CG2 3.34Å; I492-V496 PolarHBondContact O-N 2.64Å; I492-I599 HydrophobicContact CD1-CG2 4.2Å; I492-I599 HydrophobicContact CG1-CG2 4.39Å; I492-I599 HydrophobicContact CG2-CD1 4.22Å; I492-I599 HydrophobicContact CG2-CG1 4.34Å; I492-I599 HydrophobicContact CG2-CG2 4.42Å; I492-K602 HydrophobicContact CG1-CD 4.37Å; I492-L603 HydrophobicContact CD1-CD2 3.65Å; I492-L603 HydrophobicContact CD1-CG 3.88Å
493A98.6Very high98.1Very high0 Ų041.8 Ų41.80%020%0.202CC..Hα-helixtrans-58.9-41.9175.200000112.7P450 Q454 Y489 E490 E491 V496 A497P450-A493 HydrophobicContact CB-CB 4.15Å; P450-A493 WeakPolarHBondContact CB-O 3.48Å; P450-A493 VanDerWaalsContact O-CB 3.28Å; P450-A493 WeakPolarHBondContact O-CB 3.28Å; Q454-A493 HydrophobicContact CG-CB 3.6Å; Y489-A493 PolarHBondContact O-N 2.58Å; Y489-A493 VanDerWaalsContact O-N 3.08Å; E490-A493 WeakPolarHBondContact O-CB 3.41Å; E490-A493 PolarHBondContact O-N 2.59Å; E491-A493 VanDerWaalsContact C-N 3.27Å; E491-A493 PolarHBondContact O-N 2.99Å; A493-V496 PolarHBondContact O-N 2.66Å; A493-A497 WeakPolarHBondContact O-CB 3.47Å; A493-A497 PolarHBondContact O-N 3.38Å
494Q98.3Very high98.1Very high99 Ų9940.5 Ų40.546%0.46319%0.193SC..Hα-helixtrans-66.7-43.2177-171.563.619.600111.4E490 E491 I492 V496 A497 E498E490-Q494 PolarHBondContact O-N 3.31Å; E491-Q494 PolarHBondContact O-N 3.31Å; I492-Q494 VanDerWaalsContact C-N 3.31Å; I492-Q494 PolarHBondContact O-N 2.81Å; Q494-V496 VanDerWaalsContact C-N 3.33Å; Q494-V496 PolarHBondContact O-N 2.93Å; Q494-A497 PolarHBondContact O-N 2.67Å; Q494-E498 PolarHBondContact NE2-OE1 3.18Å; Q494-E498 WeakPolarHBondContact O-CG 3.46Å; Q494-E498 PolarHBondContact O-N 2.95Å
495L98.3Very high98.1Very high31 Ų3141.7 Ų41.716%0.16220%0.196CC..Hα-helixtrans-57.2-45.8174.9-70177.4000111.8E491 I492 A497 E498 Q499 F595 T598 I599 K602E491-L495 PolarHBondContact O-N 3.31Å; I492-L495 PolarHBondContact O-N 3.37Å; L495-A497 VanDerWaalsContact C-N 3.33Å; L495-A497 PolarHBondContact O-N 2.99Å; L495-E498 PolarHBondContact O-N 3.1Å; L495-Q499 WeakPolarHBondContact O-CB 3.38Å; L495-Q499 PolarHBondContact O-N 2.84Å; L495-F595 HydrophobicContact CB-CE2 4.35Å; L495-T598 HydrophobicContact CD1-CG2 3.89Å; L495-I599 HydrophobicContact CD1-CG1 4.46Å; L495-K602 HydrophobicContact CD1-CD 3.79Å
496V98.4Very high98Very high5 Ų544.4 Ų44.43%0.0321%0.206CC..Hα-helixtrans-61.7-40.2177.3173.40000111.7C445 L449 P450 Y453 I492 A493 Q494 E498 P500 F595 I599C445-V496 HydrophobicContact CB-CG1 4.5Å; L449-V496 HydrophobicContact CB-CG1 4.43Å; L449-V496 HydrophobicContact CD2-CG1 3.71Å; L449-V496 HydrophobicContact CG-CG1 3.92Å; P450-V496 HydrophobicContact CG-CB 4.47Å; P450-V496 HydrophobicContact CG-CG1 4.1Å; Y453-V496 HydrophobicContact CD2-CG2 4.09Å; Y453-V496 HydrophobicContact CE2-CG2 3.81Å; I492-V496 HydrophobicContact CG2-CG2 4.23Å; I492-V496 WeakPolarHBondContact O-CG2 3.34Å; I492-V496 PolarHBondContact O-N 2.64Å; A493-V496 PolarHBondContact O-N 2.66Å; Q494-V496 VanDerWaalsContact C-N 3.33Å; Q494-V496 PolarHBondContact O-N 2.93Å; V496-E498 VanDerWaalsContact C-N 3.33Å; V496-E498 PolarHBondContact O-N 3.03Å; V496-P500 WeakPolarHBondContact O-CD 3.48Å; V496-F595 HydrophobicContact CG2-CE2 4.36Å; V496-F595 HydrophobicContact CG2-CZ 3.89Å; V496-I599 HydrophobicContact CG2-CD1 4.45Å
497A98.2Very high98Very high26 Ų2645.3 Ų45.322%0.21521%0.211CC..Hα-helixtrans-69.1-29.8179.300000113.5C445 P450 A493 Q494 L495C445-A497 WeakPolarHBondContact O-CA 3.21Å; P450-A497 HydrophobicContact CB-CB 4.26Å; P450-A497 HydrophobicContact CG-CB 3.73Å; A493-A497 WeakPolarHBondContact O-CB 3.47Å; A493-A497 PolarHBondContact O-N 3.38Å; Q494-A497 PolarHBondContact O-N 2.67Å; L495-A497 VanDerWaalsContact C-N 3.33Å; L495-A497 PolarHBondContact O-N 2.99Å
498E97.7Very high97.9Very high76 Ų7640.7 Ų40.736%0.35519%0.191SC..Hα-helixtrans-90.4-26.1-179.7-70.817817700113.6Q494 L495 V496 P500 K501Q494-E498 PolarHBondContact NE2-OE1 3.18Å; Q494-E498 WeakPolarHBondContact O-CG 3.46Å; Q494-E498 PolarHBondContact O-N 2.95Å; L495-E498 PolarHBondContact O-N 3.1Å; V496-E498 VanDerWaalsContact C-N 3.33Å; V496-E498 PolarHBondContact O-N 3.03Å; E498-P500 VanDerWaalsContact C-CD 3.47Å; E498-K501 WeakPolarHBondContact O-CB 3.39Å; E498-K501 PolarHBondContact O-N 3.38Å
499Q98.1Very high97.7Very high9 Ų941.9 Ų41.94%0.04220%0.196CC..G310 helixtrans-53.1-45-170.8-171.860.12500114.8L495 K501 K502 D503 E591 F595L495-Q499 WeakPolarHBondContact O-CB 3.38Å; L495-Q499 PolarHBondContact O-N 2.84Å; Q499-K501 PolarHBondContact O-N 3.47Å; Q499-K502 WeakPolarHBondContact O-CB 3.42Å; Q499-K502 PolarHBondContact O-N 3.06Å; Q499-D503 WeakPolarHBondContact CG-OD2 3.47Å; Q499-D503 PolarHBondContact NE2-OD2 3.41Å; Q499-E591 PolarHBondContact NE2-O 3.23Å; Q499-F595 HydrophobicContact CB-CD2 3.84Å; Q499-F595 HydrophobicContact CB-CE2 3.69Å; Q499-F595 HydrophobicContact CB-CG 4.49Å; Q499-F595 HydrophobicContact CB-CZ 4.22Å; Q499-F595 VanDerWaalsContact CD-CD2 3.47Å; Q499-F595 HydrophobicContact CG-CB 4.17Å; Q499-F595 HydrophobicContact CG-CD1 4.18Å; Q499-F595 HydrophobicContact CG-CD2 3.52Å; Q499-F595 HydrophobicContact CG-CE1 4.44Å; Q499-F595 HydrophobicContact CG-CE2 3.82Å; Q499-F595 HydrophobicContact CG-CG 3.71Å; Q499-F595 HydrophobicContact CG-CZ 4.25Å; Q499-F595 VanDerWaalsContact OE1-CD2 3.28Å
500P98.3Very high97.6Very high4 Ų439.9 Ų39.93%0.02619%0.191CC..G310 helixtrans-55.1-25.1-176.8-28.736.9000114.9W442 C445 T446 V496 E498 K502 D503 L504 H505W442-P500 HydrophobicContact CD2-CB 3.62Å; W442-P500 HydrophobicContact CE3-CB 3.46Å; W442-P500 VanDerWaalsContact CE3-CB 3.46Å; W442-P500 HydrophobicContact CG-CB 4.3Å; W442-P500 HydrophobicContact CH2-CB 3.88Å; W442-P500 HydrophobicContact CZ2-CB 4.05Å; W442-P500 HydrophobicContact CZ3-CB 3.59Å; W442-P500 WeakPolarHBondContact CZ3-O 3.48Å; C445-P500 HydrophobicContact CB-CG 3.7Å; T446-P500 HydrophobicContact CG2-CG 4.14Å; V496-P500 WeakPolarHBondContact O-CD 3.48Å; E498-P500 VanDerWaalsContact C-CD 3.47Å; P500-K502 PolarHBondContact O-N 3.05Å; P500-D503 WeakPolarHBondContact CA-OD1 3.17Å; P500-L504 HydrophobicContact CB-CB 4.2Å; P500-L504 HydrophobicContact CB-CD2 4.24Å; P500-L504 PolarHBondContact O-N 2.98Å; P500-H505 WeakPolarHBondContact O-CB 3.39Å; P500-H505 PolarHBondContact O-N 2.81Å
501K96.3Very high97.6Very high141 Ų14137 Ų3761%0.61318%0.177SC*.G310 helixtrans-72-13.9177-60.8178.5179.9177.30113.9W442 E498 Q499W442-K501 HydrophobicContact CH2-CG 4.09Å; W442-K501 HydrophobicContact CZ2-CG 4.17Å; E498-K501 WeakPolarHBondContact O-CB 3.39Å; E498-K501 PolarHBondContact O-N 3.38Å; Q499-K501 PolarHBondContact O-N 3.47Å
502K96.9Very high97.4Very high79 Ų7935.4 Ų35.434%0.34317%0.172SC..THydrogen-bonded Turntrans-100.1-27.7-176.3-57.2178.8-169.2163.20112.8Q499 P500 F506Q499-K502 WeakPolarHBondContact O-CB 3.42Å; Q499-K502 PolarHBondContact O-N 3.06Å; P500-K502 PolarHBondContact O-N 3.05Å; K502-F506 VanDerWaalsContact O-CD2 3.31Å; K502-F506 WeakPolarHBondContact O-CD2 3.3Å; K502-F506 VanDerWaalsContact O-CE2 3.24Å; K502-F506 WeakPolarHBondContact O-CE2 3.47Å
503D97.7Very high97.2Very high4 Ų437.7 Ų37.72%0.02118%0.182CC..THydrogen-bonded Turntrans-128.4-64.9-173.546.721.9000112.9Q499 P500 H505 F506 L507 Y588 E591 Q592Q499-D503 WeakPolarHBondContact CG-OD2 3.47Å; Q499-D503 PolarHBondContact NE2-OD2 3.41Å; P500-D503 WeakPolarHBondContact CA-OD1 3.17Å; D503-H505 PolarHBondContact O-N 3.5Å; D503-F506 PolarHBondContact O-N 3.37Å; D503-L507 PolarHBondContact O-N 2.97Å; D503-Y588 HydrophobicContact CB-CD2 3.8Å; D503-Y588 HydrophobicContact CB-CE2 4.21Å; D503-E591 HydrophobicContact CB-CB 3.82Å; D503-Q592 PolarHBondContact OD2-NE2 3.27Å
504L97.9Very high97.2Very high6 Ų637.7 Ų37.73%0.03118%0.182CC..Hα-helixtrans-62.7-31.7-172.8-173.159.8000112.1W442 P500 F506 L507 M508 Y588W442-L504 HydrophobicContact CB-CD2 3.88Å; W442-L504 HydrophobicContact CD2-CD2 4.49Å; W442-L504 HydrophobicContact CE3-CB 4.2Å; W442-L504 HydrophobicContact CE3-CD2 3.86Å; W442-L504 HydrophobicContact CE3-CG 3.99Å; W442-L504 HydrophobicContact CZ3-CB 4.37Å; P500-L504 HydrophobicContact CB-CB 4.2Å; P500-L504 HydrophobicContact CB-CD2 4.24Å; P500-L504 PolarHBondContact O-N 2.98Å; L504-F506 PolarHBondContact O-N 3.05Å; L504-L507 HydrophobicContact CD1-CD2 4.37Å; L504-L507 PolarHBondContact O-N 2.97Å; L504-M508 HydrophobicContact CD1-CE 4.06Å; L504-M508 HydrophobicContact CD1-CG 4.23Å; L504-M508 HydrophobicContact CG-CG 4.17Å; L504-M508 WeakPolarHBondContact O-CB 2.89Å; L504-M508 VanDerWaalsContact O-CG 3.22Å; L504-M508 WeakPolarHBondContact O-CG 3.37Å; L504-M508 PolarHBondContact O-N 2.81Å; L504-Y588 HydrophobicContact CB-CE2 4.41Å; L504-Y588 HydrophobicContact CD1-CE2 4.26Å
505H96.6Very high97.1Very high44 Ų4437.5 Ų37.520%0.20418%0.18CC..Hα-helixtrans-54.7-52.4175.3177.686.7000111.5E347 W442 P500 D503 L507 M508 E509E347-H505 IonicContact OE1-CD2 2.67Å; E347-H505 IonicContact OE1-CE1 2.66Å; E347-H505 IonicContact OE1-NE2 2.64Å; E347-H505 PolarHBondContact OE1-NE2 3.35Å; E347-H505 IonicContact OE2-CE1 3.81Å; E347-H505 IonicContact OE2-NE2 3.49Å; E347-H505 PolarHBondContact OE2-NE2 3.08Å; W442-H505 HydrophobicContact CH2-CB 4.04Å; W442-H505 HydrophobicContact CZ3-CB 3.85Å; P500-H505 WeakPolarHBondContact O-CB 3.39Å; P500-H505 PolarHBondContact O-N 2.81Å; D503-H505 PolarHBondContact O-N 3.5Å; H505-L507 PolarHBondContact O-N 2.94Å; H505-M508 PolarHBondContact O-N 3.39Å; H505-E509 WeakPolarHBondContact O-CG 3.5Å; H505-E509 PolarHBondContact O-N 3.44Å
506F96.4Very high96.9Very high67 Ų6737.1 Ų37.129%0.29418%0.184SC..Hα-helixtrans-65.1-41.1-179-57.8-76.8000111.2K502 D503 L504 M508 E509 T510 V584K502-F506 VanDerWaalsContact O-CD2 3.31Å; K502-F506 WeakPolarHBondContact O-CD2 3.3Å; K502-F506 VanDerWaalsContact O-CE2 3.24Å; K502-F506 WeakPolarHBondContact O-CE2 3.47Å; D503-F506 PolarHBondContact O-N 3.37Å; L504-F506 PolarHBondContact O-N 3.05Å; F506-M508 PolarHBondContact O-N 2.9Å; F506-E509 PolarHBondContact O-N 2.84Å; F506-T510 WeakPolarHBondContact O-CB 3.47Å; F506-T510 PolarHBondContact O-N 3.49Å; F506-T510 PolarHBondContact O-OG1 3.03Å; F506-V584 HydrophobicContact CB-CG2 4.13Å
507L97.9Very high96.7Very high18 Ų1837.5 Ų37.59%0.09419%0.186CC..Hα-helixtrans-61.6-42.3174.6-17662.1000112.2D503 L504 H505 N511 V584 M585 Y588D503-L507 PolarHBondContact O-N 2.97Å; L504-L507 HydrophobicContact CD1-CD2 4.37Å; L504-L507 PolarHBondContact O-N 2.97Å; H505-L507 PolarHBondContact O-N 2.94Å; L507-N511 PolarHBondContact O-N 3.28Å; L507-N511 VanDerWaalsContact O-N 3.12Å; L507-N511 PolarHBondContact O-ND2 3.01Å; L507-V584 HydrophobicContact CB-CG2 4.34Å; L507-V584 HydrophobicContact CD1-CG1 3.99Å; L507-V584 HydrophobicContact CD1-CG2 4.42Å; L507-M585 HydrophobicContact CD1-SD 3.77Å; L507-Y588 HydrophobicContact CB-CD2 4.31Å; L507-Y588 HydrophobicContact CD2-CD2 3.96Å; L507-Y588 HydrophobicContact CD2-CE2 4.12Å; L507-Y588 HydrophobicContact CD2-CG 4.26Å
508M97.1Very high96.7Very high14 Ų1436.4 Ų36.47%0.06918%0.176CC..Hα-helixtrans-69.3-42.8178-69-61.195.200112.1I434 L435 L504 H505 F506 N511 N512I434-M508 HydrophobicContact CG2-CE 3.95Å; L435-M508 WeakPolarHBondContact CD2-O 3.14Å; L435-M508 HydrophobicContact CD2-SD 3.94Å; L504-M508 HydrophobicContact CD1-CE 4.06Å; L504-M508 HydrophobicContact CD1-CG 4.23Å; L504-M508 HydrophobicContact CG-CG 4.17Å; L504-M508 WeakPolarHBondContact O-CB 2.89Å; L504-M508 VanDerWaalsContact O-CG 3.22Å; L504-M508 WeakPolarHBondContact O-CG 3.37Å; L504-M508 PolarHBondContact O-N 2.81Å; H505-M508 PolarHBondContact O-N 3.39Å; F506-M508 PolarHBondContact O-N 2.9Å; M508-N511 PolarHBondContact O-N 2.79Å; M508-N512 WeakPolarHBondContact O-CB 3.33Å; M508-N512 PolarHBondContact O-N 2.7Å; M508-N512 PolarHBondContact O-ND2 3.33Å
509E94.6Very high96.6Very high38 Ų3834 Ų3418%0.17817%0.171CC..Hα-helixtrans-68.2-38.5179.1-69.7-61.9100.800112.3R348 H505 F506 N511 N512 E513R348-E509 WeakPolarHBondContact CG-OE2 3.24Å; R348-E509 IonicContact CZ-OE1 3.47Å; R348-E509 IonicContact CZ-OE2 3.08Å; R348-E509 IonicContact NE-OE1 3.24Å; R348-E509 IonicContact NE-OE2 2.78Å; R348-E509 PolarHBondContact NE-OE2 3.42Å; R348-E509 IonicContact NH2-OE1 3.75Å; R348-E509 PolarHBondContact NH2-OE1 3.45Å; R348-E509 IonicContact NH2-OE2 2.74Å; R348-E509 PolarHBondContact NH2-OE2 3.29Å; H505-E509 WeakPolarHBondContact O-CG 3.5Å; H505-E509 PolarHBondContact O-N 3.44Å; F506-E509 PolarHBondContact O-N 2.84Å; E509-N511 PolarHBondContact O-N 3.28Å; E509-N512 PolarHBondContact O-N 3.19Å; E509-N512 PolarHBondContact OE1-ND2 3.02Å; E509-E513 PolarHBondContact O-N 3.41Å
510T96.6Very high96.5Very high26 Ų2633.7 Ų33.716%0.1617%0.17CC..Hα-helixtrans-59.8-45.8170-58.30000111.4F506 N512 E513 Y514 D580 V584F506-T510 WeakPolarHBondContact O-CB 3.47Å; F506-T510 PolarHBondContact O-N 3.49Å; F506-T510 PolarHBondContact O-OG1 3.03Å; T510-N512 VanDerWaalsContact C-N 3.34Å; T510-N512 PolarHBondContact O-N 3.13Å; T510-E513 PolarHBondContact O-N 3.17Å; T510-Y514 HydrophobicContact CG2-CD2 3.96Å; T510-Y514 HydrophobicContact CG2-CE2 4.15Å; T510-Y514 WeakPolarHBondContact O-CD2 3.3Å; T510-Y514 PolarHBondContact O-N 3.47Å; T510-D580 HydrophobicContact CG2-CB 4.44Å; T510-V584 HydrophobicContact CG2-CG1 4.24Å
511N97.6Very high96.4Very high0 Ų033.5 Ų33.50%017%0.169CC..Hα-helixtrans-68.7-30.9178-78.6-81.1000112.6V431 L435 L507 M508 E509 K515 Y581V431-N511 HydrophobicContact CG1-CB 4.11Å; V431-N511 WeakPolarHBondContact CG1-O 3.44Å; L435-N511 HydrophobicContact CD1-CB 4.44Å; L435-N511 HydrophobicContact CD2-CB 3.68Å; L435-N511 HydrophobicContact CG-CB 3.87Å; L507-N511 PolarHBondContact O-N 3.28Å; L507-N511 VanDerWaalsContact O-N 3.12Å; L507-N511 PolarHBondContact O-ND2 3.01Å; M508-N511 PolarHBondContact O-N 2.79Å; E509-N511 PolarHBondContact O-N 3.28Å; N511-K515 VanDerWaalsContact O-CB 3.28Å; N511-K515 WeakPolarHBondContact O-CB 3.42Å; N511-K515 PolarHBondContact O-N 2.92Å; N511-Y581 PolarHBondContact OD1-OH 2.85Å
512N95.3Very high96.4Very high56 Ų5630.4 Ų30.430%0.29916%0.163SC..Hα-helixtrans-65.3-41171.8-80.4-36.1000111.6L435 M508 E509 T510 K515 G516L435-N512 WeakPolarHBondContact CD2-OD1 3.49Å; M508-N512 WeakPolarHBondContact O-CB 3.33Å; M508-N512 PolarHBondContact O-N 2.7Å; M508-N512 PolarHBondContact O-ND2 3.33Å; E509-N512 PolarHBondContact O-N 3.19Å; E509-N512 PolarHBondContact OE1-ND2 3.02Å; T510-N512 VanDerWaalsContact C-N 3.34Å; T510-N512 PolarHBondContact O-N 3.13Å; N512-K515 PolarHBondContact O-N 3.32Å; N512-G516 PolarHBondContact O-N 3.28Å
513E94.9Very high96.3Very high48 Ų4829.8 Ų29.822%0.22416%0.164CC..Hα-helixtrans-62.8-49.1174.4-170-169.9-172.300111.3R355 E509 T510 K515 G516 L517R355-E513 IonicContact CZ-OE1 3Å; R355-E513 VanDerWaalsContact CZ-OE1 3.24Å; R355-E513 IonicContact CZ-OE2 2.75Å; R355-E513 IonicContact NE-OE1 3.74Å; R355-E513 PolarHBondContact NE-OE1 3.46Å; R355-E513 IonicContact NH2-OE1 2.66Å; R355-E513 PolarHBondContact NH2-OE1 2.81Å; R355-E513 IonicContact NH2-OE2 3.76Å; R355-E513 PolarHBondContact NH2-OE2 3.42Å; E509-E513 PolarHBondContact O-N 3.41Å; T510-E513 PolarHBondContact O-N 3.17Å; E513-K515 VanDerWaalsContact C-N 3.33Å; E513-K515 PolarHBondContact O-N 3.43Å; E513-G516 WeakPolarHBondContact O-CA 2.96Å; E513-G516 PolarHBondContact O-N 3.03Å; E513-L517 PolarHBondContact O-N 3.14Å
514Y97.4Very high96.1Very high1 Ų129.8 Ų29.80%0.00416%0.164CC..Hα-helixtrans-63.5-36.5177.9-87.2-83.8000112.5M427 T510 G516 L517 L518 F573 N576 R577 D580 Y581M427-Y514 HydrophobicContact CE-CD1 3.74Å; M427-Y514 HydrophobicContact CE-CE1 4.48Å; M427-Y514 HydrophobicContact CE-CG 4.24Å; T510-Y514 HydrophobicContact CG2-CD2 3.96Å; T510-Y514 HydrophobicContact CG2-CE2 4.15Å; T510-Y514 WeakPolarHBondContact O-CD2 3.3Å; T510-Y514 PolarHBondContact O-N 3.47Å; Y514-G516 VanDerWaalsContact C-N 3.3Å; Y514-G516 PolarHBondContact O-N 3Å; Y514-L517 HydrophobicContact CD1-CD1 4.39Å; Y514-L517 HydrophobicContact CE1-CD1 4.33Å; Y514-L517 PolarHBondContact O-N 3.35Å; Y514-L518 VanDerWaalsContact O-CB 3.22Å; Y514-L518 WeakPolarHBondContact O-CB 3.49Å; Y514-L518 WeakPolarHBondContact O-CD1 3.5Å; Y514-L518 WeakPolarHBondContact O-CG 3.3Å; Y514-L518 PolarHBondContact O-N 3.45Å; Y514-F573 AromaticContact CD1-CE2 3.66Å; Y514-F573 HydrophobicContact CD1-CE2 3.66Å; Y514-F573 AromaticContact CD1-CZ 3.71Å; Y514-F573 HydrophobicContact CD1-CZ 3.71Å; Y514-F573 HydrophobicContact CE1-CD2 4.3Å; Y514-F573 AromaticContact CE1-CE2 3.61Å; Y514-F573 HydrophobicContact CE1-CE2 3.61Å; Y514-F573 AromaticContact CE1-CZ 3.83Å; Y514-F573 HydrophobicContact CE1-CZ 3.83Å; Y514-N576 PolarHBondContact OH-O 3.14Å; Y514-R577 HydrophobicContact CE1-CB 3.81Å; Y514-R577 HydrophobicContact CE1-CG 4.1Å; Y514-R577 WeakPolarHBondContact OH-CA 3.48Å; Y514-R577 PolarHBondContact OH-N 3.04Å; Y514-R577 VanDerWaalsContact OH-N 3.09Å; Y514-D580 HydrophobicContact CE2-CB 3.88Å; Y514-D580 PolarHBondContact OH-OD2 3.01Å; Y514-Y581 HydrophobicContact CD1-CE2 4.17Å; Y514-Y581 HydrophobicContact CD2-CD2 4.49Å; Y514-Y581 AromaticContact CD2-CE2 3.74Å; Y514-Y581 HydrophobicContact CD2-CE2 3.74Å; Y514-Y581 HydrophobicContact CE1-CE2 4.46Å; Y514-Y581 HydrophobicContact CE2-CD2 4.42Å; Y514-Y581 HydrophobicContact CE2-CE2 4.08Å; Y514-Y581 AromaticContact CG-CE2 3.82Å; Y514-Y581 HydrophobicContact CG-CE2 3.82Å
515K96.6Very high96.1Very high94 Ų9429.7 Ų29.741%0.40916%0.163SC..Hα-helixtrans-59.3-40.2169.6176.7-175167.3-167.60111.9V431 L435 N511 N512 E513 G519V431-K515 HydrophobicContact CG1-CB 3.9Å; L435-K515 HydrophobicContact CD1-CB 4.18Å; L435-K515 HydrophobicContact CD1-CD 3.65Å; L435-K515 HydrophobicContact CD1-CG 4.5Å; N511-K515 VanDerWaalsContact O-CB 3.28Å; N511-K515 WeakPolarHBondContact O-CB 3.42Å; N511-K515 PolarHBondContact O-N 2.92Å; N512-K515 PolarHBondContact O-N 3.32Å; E513-K515 VanDerWaalsContact C-N 3.33Å; E513-K515 PolarHBondContact O-N 3.43Å; K515-G519 PolarHBondContact O-N 3.42Å
516G93.9Very high96Very high24 Ų2429.2 Ų29.225%0.24717%0.17CC..Hα-helixtrans-60.8-51.7174.700000112.1N512 E513 Y514 L518 G519 C520N512-G516 PolarHBondContact O-N 3.28Å; E513-G516 WeakPolarHBondContact O-CA 2.96Å; E513-G516 PolarHBondContact O-N 3.03Å; Y514-G516 VanDerWaalsContact C-N 3.3Å; Y514-G516 PolarHBondContact O-N 3Å; G516-L518 PolarHBondContact O-N 3.42Å; G516-G519 PolarHBondContact O-N 3.45Å; G516-C520 PolarHBondContact O-SG 3.47Å
517L95.8Very high96Very high13 Ų1327.6 Ų27.67%0.06817%0.166CC..Hα-helixtrans-60.1-44.7176.5-69.3167.2000112.3P326 E513 Y514 G519 C520 F521 F573P326-L517 HydrophobicContact CB-CD2 3.88Å; P326-L517 HydrophobicContact CB-CG 4.21Å; P326-L517 HydrophobicContact CG-CD2 3.77Å; P326-L517 HydrophobicContact CG-CG 4.48Å; E513-L517 PolarHBondContact O-N 3.14Å; Y514-L517 HydrophobicContact CD1-CD1 4.39Å; Y514-L517 HydrophobicContact CE1-CD1 4.33Å; Y514-L517 PolarHBondContact O-N 3.35Å; L517-G519 VanDerWaalsContact C-N 3.3Å; L517-G519 PolarHBondContact O-N 3.38Å; L517-C520 PolarHBondContact O-N 3.36Å; L517-F521 WeakPolarHBondContact O-CD2 3.39Å; L517-F573 HydrophobicContact CB-CE2 4.18Å; L517-F573 HydrophobicContact CD1-CE2 4.38Å
518L97.4Very high95.9Very high3 Ų327 Ų272%0.01616%0.162CC..Hα-helixtrans-64.6-34179.6-72165.2000112.5T424 M427 D428 V431 Y514 G516 C520 F521 P522 F573T424-L518 HydrophobicContact CG2-CD2 4.35Å; M427-L518 HydrophobicContact CB-CD1 4.18Å; M427-L518 HydrophobicContact CB-CD2 4.21Å; M427-L518 HydrophobicContact CE-CD1 4.1Å; M427-L518 HydrophobicContact CG-CD1 3.74Å; M427-L518 HydrophobicContact CG-CD2 4.36Å; M427-L518 HydrophobicContact SD-CD1 4.03Å; M427-L518 HydrophobicContact SD-CD2 4.16Å; D428-L518 HydrophobicContact CB-CB 4.08Å; D428-L518 HydrophobicContact CB-CD1 4.34Å; V431-L518 HydrophobicContact CB-CD1 4.44Å; V431-L518 HydrophobicContact CG2-CD1 4Å; Y514-L518 VanDerWaalsContact O-CB 3.22Å; Y514-L518 WeakPolarHBondContact O-CB 3.49Å; Y514-L518 WeakPolarHBondContact O-CD1 3.5Å; Y514-L518 WeakPolarHBondContact O-CG 3.3Å; Y514-L518 PolarHBondContact O-N 3.45Å; G516-L518 PolarHBondContact O-N 3.42Å; L518-C520 PolarHBondContact O-N 3.45Å; L518-F521 HydrophobicContact CD2-CD2 4.42Å; L518-F521 PolarHBondContact O-N 3.27Å; L518-P522 WeakPolarHBondContact O-CD 3.33Å; L518-F573 HydrophobicContact CD2-CE2 4.5Å; L518-F573 HydrophobicContact CD2-CZ 3.86Å; L518-F573 HydrophobicContact CG-CZ 4.26Å
519G95.9Very high95.9Very high24 Ų2429.5 Ų29.525%0.24717%0.173CC..Hα-helixtrans-64.5-19.717500000115.2K515 G516 L517K515-G519 PolarHBondContact O-N 3.42Å; G516-G519 PolarHBondContact O-N 3.45Å; L517-G519 VanDerWaalsContact C-N 3.3Å; L517-G519 PolarHBondContact O-N 3.38Å
520C95.7Very high96Very high4 Ų429.9 Ų29.93%0.02718%0.182CC..Hα-helixtrans-88.1-27.9178.5-59.30000113.2H171 P324 I325 G516 L517 L518 P522 D523 T524H171-C520 PolarHBondContact NE2-SG 3.16Å; H171-C520 VanDerWaalsContact NE2-SG 3.44Å; P324-C520 HydrophobicContact CB-CB 3.94Å; I325-C520 PolarHBondContact O-SG 2.92Å; G516-C520 PolarHBondContact O-SG 3.47Å; L517-C520 PolarHBondContact O-N 3.36Å; L518-C520 PolarHBondContact O-N 3.45Å; C520-P522 VanDerWaalsContact C-CD 3.41Å; C520-D523 PolarHBondContact O-N 3.08Å; C520-T524 PolarHBondContact O-N 3.14Å; C520-T524 PolarHBondContact O-OG1 3Å
521F96.6Very high96Very high0 Ų028.6 Ų28.60%018%0.175CC..Hα-helixtrans-58.4-34.2-177.5-82.6-78.1000115.5P324 T424 L517 L518 D523 T524 I525 M570 F573P324-F521 HydrophobicContact CB-CE2 4.39Å; P324-F521 HydrophobicContact CG-CD1 3.99Å; P324-F521 HydrophobicContact CG-CD2 4.11Å; P324-F521 HydrophobicContact CG-CE1 3.62Å; P324-F521 HydrophobicContact CG-CE2 3.78Å; P324-F521 HydrophobicContact CG-CG 4.24Å; P324-F521 HydrophobicContact CG-CZ 3.53Å; T424-F521 HydrophobicContact CG2-CB 4.01Å; T424-F521 HydrophobicContact CG2-CD1 3.95Å; T424-F521 HydrophobicContact CG2-CD2 3.86Å; T424-F521 HydrophobicContact CG2-CE1 4.35Å; T424-F521 HydrophobicContact CG2-CE2 4.24Å; T424-F521 HydrophobicContact CG2-CG 3.68Å; T424-F521 HydrophobicContact CG2-CZ 4.46Å; L517-F521 WeakPolarHBondContact O-CD2 3.39Å; L518-F521 HydrophobicContact CD2-CD2 4.42Å; L518-F521 PolarHBondContact O-N 3.27Å; F521-D523 VanDerWaalsContact C-N 3.31Å; F521-D523 PolarHBondContact O-N 3.49Å; F521-T524 PolarHBondContact O-N 3.41Å; F521-I525 HydrophobicContact CB-CD1 4.21Å; F521-I525 HydrophobicContact CD1-CD1 4.27Å; F521-I525 WeakPolarHBondContact O-CB 3.29Å; F521-I525 VanDerWaalsContact O-CG1 3.24Å; F521-I525 WeakPolarHBondContact O-CG1 3.23Å; F521-I525 PolarHBondContact O-N 3.15Å; F521-M570 HydrophobicContact CD1-CE 3.99Å; F521-M570 HydrophobicContact CE1-CE 3.32Å; F521-M570 HydrophobicContact CZ-CE 3.62Å; F521-M570 HydrophobicContact CZ-SD 4.49Å; F521-F573 AromaticContact CE2-CD2 3.88Å; F521-F573 HydrophobicContact CE2-CD2 3.88Å; F521-F573 HydrophobicContact CE2-CE2 4.02Å; F521-F573 HydrophobicContact CE2-CG 4.22Å; F521-F573 HydrophobicContact CZ-CB 4.26Å; F521-F573 HydrophobicContact CZ-CD2 4.1Å; F521-F573 HydrophobicContact CZ-CG 4.05Å
522P96.7Very high96Very high75 Ų7529 Ų2949%0.48718%0.176SC..Hα-helixtrans-55.5-42.3176.2-2936.7000113.6L518 C520 G526L518-P522 WeakPolarHBondContact O-CD 3.33Å; C520-P522 VanDerWaalsContact C-CD 3.41Å; P522-G526 PolarHBondContact O-N 3.26Å
523D93.2Very high96.1Very high67 Ų6730.4 Ų30.436%0.35818%0.184SC..Hα-helixtrans-73.4-46.6-179.8-69.2-37.5000111.1H171 C520 F521 I525 G526 V527H171-D523 WeakPolarHBondContact CA-OD2 2.99Å; H171-D523 VanDerWaalsContact CB-OD2 3.3Å; H171-D523 WeakPolarHBondContact CB-OD2 3.36Å; H171-D523 IonicContact CD2-OD2 2.73Å; H171-D523 PolarHBondContact CD2-OD2 3.19Å; H171-D523 IonicContact CG-OD2 3.83Å; H171-D523 PolarHBondContact N-OD2 2.93Å; H171-D523 VanDerWaalsContact N-OD2 3.15Å; C520-D523 PolarHBondContact O-N 3.08Å; F521-D523 VanDerWaalsContact C-N 3.31Å; F521-D523 PolarHBondContact O-N 3.49Å; D523-I525 PolarHBondContact O-N 2.81Å; D523-G526 PolarHBondContact O-N 3.36Å; D523-G526 VanDerWaalsContact O-N 3.16Å; D523-V527 PolarHBondContact O-N 2.86Å; D523-V527 VanDerWaalsContact O-N 3.08Å
524T94.6Very high96Very high3 Ų329.6 Ų29.62%0.01818%0.18CC..Hα-helixtrans-58.4-47.9175.5-51.70000111.4G320 C520 F521 G526 V527 H528G320-T524 PolarHBondContact O-OG1 2.93Å; G320-T524 VanDerWaalsContact O-OG1 3.04Å; C520-T524 PolarHBondContact O-N 3.14Å; C520-T524 PolarHBondContact O-OG1 3Å; F521-T524 PolarHBondContact O-N 3.41Å; T524-G526 VanDerWaalsContact C-N 3.32Å; T524-G526 PolarHBondContact O-N 2.88Å; T524-V527 PolarHBondContact O-N 3.47Å; T524-H528 PolarHBondContact O-CD2 2.91Å; T524-H528 PolarHBondContact O-N 2.84Å
525I96.5Very high95.9Very high4 Ų430 Ų302%0.02118%0.182CC..Hα-helixtrans-67.4-33.5177.2-67.5175.1000111.1F420 F521 D523 V527 H528 K529 L566F420-I525 HydrophobicContact CB-CD1 4.43Å; F521-I525 HydrophobicContact CB-CD1 4.21Å; F521-I525 HydrophobicContact CD1-CD1 4.27Å; F521-I525 WeakPolarHBondContact O-CB 3.29Å; F521-I525 VanDerWaalsContact O-CG1 3.24Å; F521-I525 WeakPolarHBondContact O-CG1 3.23Å; F521-I525 PolarHBondContact O-N 3.15Å; D523-I525 PolarHBondContact O-N 2.81Å; I525-V527 PolarHBondContact O-N 2.68Å; I525-H528 PolarHBondContact O-N 2.91Å; I525-H528 VanDerWaalsContact O-N 3.14Å; I525-K529 HydrophobicContact CG2-CD 4.07Å; I525-K529 HydrophobicContact CG2-CG 4.24Å; I525-K529 PolarHBondContact O-N 2.66Å; I525-L566 HydrophobicContact CG1-CD1 4.46Å
526G96.1Very high95.9Very high34 Ų3430 Ų3035%0.35118%0.182SC..Hα-helixtrans-58-44.5174.200000112.8P522 D523 T524 H528 K529 A530P522-G526 PolarHBondContact O-N 3.26Å; D523-G526 PolarHBondContact O-N 3.36Å; D523-G526 VanDerWaalsContact O-N 3.16Å; T524-G526 VanDerWaalsContact C-N 3.32Å; T524-G526 PolarHBondContact O-N 2.88Å; G526-H528 VanDerWaalsContact C-N 3.3Å; G526-H528 PolarHBondContact O-N 3.34Å; G526-K529 PolarHBondContact O-N 3.43Å; G526-A530 WeakPolarHBondContact O-CB 3.34Å; G526-A530 PolarHBondContact O-N 3.08Å
527V95.3Very high95.9Very high34 Ų3432.6 Ų32.621%0.20619%0.188CC..Hα-helixtrans-59.1-41.4173.8173.50000111.4V395 D523 T524 I525 A531 M562V395-V527 HydrophobicContact CG1-CG1 3.72Å; D523-V527 PolarHBondContact O-N 2.86Å; D523-V527 VanDerWaalsContact O-N 3.08Å; T524-V527 PolarHBondContact O-N 3.47Å; I525-V527 PolarHBondContact O-N 2.68Å; V527-A531 PolarHBondContact O-N 3.47Å; V527-M562 HydrophobicContact CG1-CE 4.06Å
528H96.6Very high95.7Very high4 Ų432 Ų322%0.01919%0.185CC..Hα-helixtrans-70.8-41.3179.4-73.2-126000112.2S321 F398 T524 I525 G526 A531 I532 M562 L566S321-H528 PolarHBondContact O-NE2 3.5Å; F398-H528 AromaticContact CE1-NE2 3.94Å; F398-H528 AromaticContact CZ-NE2 3.42Å; F398-H528 WeakPolarHBondContact CZ-NE2 3.35Å; T524-H528 PolarHBondContact O-CD2 2.91Å; T524-H528 PolarHBondContact O-N 2.84Å; I525-H528 PolarHBondContact O-N 2.91Å; I525-H528 VanDerWaalsContact O-N 3.14Å; G526-H528 VanDerWaalsContact C-N 3.3Å; G526-H528 PolarHBondContact O-N 3.34Å; H528-A531 WeakPolarHBondContact O-CB 3.24Å; H528-A531 PolarHBondContact O-N 2.85Å; H528-I532 VanDerWaalsContact O-CG1 3.3Å; H528-I532 WeakPolarHBondContact O-CG1 2.73Å; H528-I532 PolarHBondContact O-N 3.46Å; H528-M562 PolarHBondContact CE1-O 3.31Å; H528-L566 HydrophobicContact CB-CD2 4.49Å
529K97.3Very high95.4Very high68 Ų6836.6 Ų36.630%0.29621%0.21SC..Hα-helixtrans-60.9-45.2174.6-74.5-177.1168.9-179.10111.6E418 S421 I525 G526 A531 I532 D533E418-K529 WeakPolarHBondContact OE2-CE 3.34Å; E418-K529 IonicContact OE2-NZ 2.68Å; E418-K529 PolarHBondContact OE2-NZ 2.91Å; S421-K529 PolarHBondContact OG-NZ 2.86Å; I525-K529 HydrophobicContact CG2-CD 4.07Å; I525-K529 HydrophobicContact CG2-CG 4.24Å; I525-K529 PolarHBondContact O-N 2.66Å; G526-K529 PolarHBondContact O-N 3.43Å; K529-A531 VanDerWaalsContact C-N 3.3Å; K529-A531 PolarHBondContact O-N 3.4Å; K529-I532 WeakPolarHBondContact O-CB 3.33Å; K529-I532 PolarHBondContact O-N 2.84Å; K529-D533 PolarHBondContact O-N 3.26Å
530A96.4Very high95.3Very high45 Ų4543 Ų4337%0.37223%0.23SC..Hα-helixtrans-61.3-36.4174.400000112.8P234 G526 K534P234-A530 HydrophobicContact CG-CB 3.84Å; G526-A530 WeakPolarHBondContact O-CB 3.34Å; G526-A530 PolarHBondContact O-N 3.08Å; A530-K534 PolarHBondContact O-N 3.02Å; A530-K534 VanDerWaalsContact O-N 3.1Å
531A96.7Very high95.1Very high0 Ų043.5 Ų43.50%023%0.233CC..Hα-helixtrans-67.5-42.3174.600000112.8P234 L238 V527 H528 K529 K534 V535 L559 M562P234-A531 HydrophobicContact CB-CB 3.82Å; P234-A531 HydrophobicContact CG-CB 4.31Å; L238-A531 HydrophobicContact CD1-CB 4.09Å; V527-A531 PolarHBondContact O-N 3.47Å; H528-A531 WeakPolarHBondContact O-CB 3.24Å; H528-A531 PolarHBondContact O-N 2.85Å; K529-A531 VanDerWaalsContact C-N 3.3Å; K529-A531 PolarHBondContact O-N 3.4Å; A531-K534 PolarHBondContact O-N 3.22Å; A531-V535 PolarHBondContact O-N 3.22Å; A531-V535 VanDerWaalsContact O-N 3.08Å; A531-L559 HydrophobicContact CB-CD1 4.18Å; A531-M562 HydrophobicContact CB-CE 3.63Å; A531-M562 HydrophobicContact CB-SD 3.71Å
532I97.2Very high94.9Very high7 Ų745.2 Ų45.24%0.03624%0.243CC..Hα-helixtrans-57.5-51.8174.9-69.9159.6000110.2V413 E414 C417 H528 K529 K534 V535 K536 L559V413-I532 HydrophobicContact CG1-CD1 4.24Å; V413-I532 HydrophobicContact CG1-CG1 4.1Å; E414-I532 HydrophobicContact CB-CD1 4.47Å; E414-I532 HydrophobicContact CB-CG2 4.1Å; E414-I532 HydrophobicContact CG-CG2 4.38Å; C417-I532 HydrophobicContact CB-CD1 3.67Å; H528-I532 VanDerWaalsContact O-CG1 3.3Å; H528-I532 WeakPolarHBondContact O-CG1 2.73Å; H528-I532 PolarHBondContact O-N 3.46Å; K529-I532 WeakPolarHBondContact O-CB 3.33Å; K529-I532 PolarHBondContact O-N 2.84Å; I532-K534 PolarHBondContact O-N 2.93Å; I532-V535 PolarHBondContact O-N 3.14Å; I532-V535 VanDerWaalsContact O-N 3.1Å; I532-K536 HydrophobicContact CG2-CD 4.37Å; I532-K536 WeakPolarHBondContact O-CG 3.43Å; I532-K536 PolarHBondContact O-N 2.87Å; I532-L559 HydrophobicContact CG1-CD1 3.75Å; I532-L559 HydrophobicContact CG1-CD2 4.27Å
533D96.4Very high94.8Very high87 Ų8745.5 Ų45.547%0.46525%0.252SS..Hα-helixtrans-62.3-34.7-179.3-71.1-25.3000111.7K529 K536 E537K529-D533 PolarHBondContact O-N 3.26Å; D533-K536 WeakPolarHBondContact O-CB 3.19Å; D533-K536 PolarHBondContact O-N 2.98Å; D533-K536 IonicContact OD1-NZ 3.88Å; D533-K536 PolarHBondContact OD1-NZ 3.43Å; D533-E537 PolarHBondContact O-N 2.99Å
534K94.8Very high94.9Very high31 Ų3145 Ų4514%0.13526%0.257CS..Hα-helixtrans-65.4-38173.7-152.277.8-160.3166.60114.1E235 L238 A530 A531 I532 E537 G538 M555E235-K534 HydrophobicContact CG-CD 3.58Å; E235-K534 HydrophobicContact CG-CG 3.73Å; E235-K534 WeakPolarHBondContact OE1-CD 3.39Å; E235-K534 IonicContact OE1-NZ 3.73Å; L238-K534 HydrophobicContact CD1-CB 3.83Å; L238-K534 HydrophobicContact CD1-CG 4.26Å; A530-K534 PolarHBondContact O-N 3.02Å; A530-K534 VanDerWaalsContact O-N 3.1Å; A531-K534 PolarHBondContact O-N 3.22Å; I532-K534 PolarHBondContact O-N 2.93Å; K534-E537 VanDerWaalsContact CE-OE2 3.3Å; K534-E537 WeakPolarHBondContact CE-OE2 3.45Å; K534-E537 IonicContact NZ-OE2 3.17Å; K534-E537 PolarHBondContact NZ-OE2 3.34Å; K534-E537 PolarHBondContact O-N 3.37Å; K534-G538 PolarHBondContact O-N 3.13Å; K534-M555 HydrophobicContact CB-CE 4.36Å; K534-M555 HydrophobicContact CG-CE 3.89Å; K534-M555 WeakPolarHBondContact O-CE 3.43Å
535V95.3Very high94.7Very high9 Ų952 Ų526%0.05530%0.295CS..Hα-helixtrans-68.2-38175.4173.60000110.8L238 P410 A531 I532 E537 G538 M555 L559L238-V535 HydrophobicContact CD1-CG2 4.46Å; L238-V535 HydrophobicContact CD2-CG2 4.43Å; P410-V535 HydrophobicContact CB-CG1 4.42Å; P410-V535 HydrophobicContact CG-CG1 4.21Å; A531-V535 PolarHBondContact O-N 3.22Å; A531-V535 VanDerWaalsContact O-N 3.08Å; I532-V535 PolarHBondContact O-N 3.14Å; I532-V535 VanDerWaalsContact O-N 3.1Å; V535-E537 VanDerWaalsContact C-N 3.29Å; V535-E537 PolarHBondContact O-N 3.03Å; V535-G538 WeakPolarHBondContact O-CA 3.43Å; V535-G538 PolarHBondContact O-N 3.03Å; V535-M555 HydrophobicContact CG2-CB 4.09Å; V535-M555 HydrophobicContact CG2-CE 4.42Å; V535-L559 HydrophobicContact CB-CD2 3.83Å; V535-L559 HydrophobicContact CG1-CD2 4.05Å; V535-L559 HydrophobicContact CG2-CB 3.92Å; V535-L559 HydrophobicContact CG2-CD2 3.74Å; V535-L559 HydrophobicContact CG2-CG 4.37Å
536K94.8Very high94.4Very high94 Ų9457.9 Ų57.941%0.40932%0.32SS..Hα-helixtrans-62.2-33.6172.3-66173.3-176.1165.10112.9E414 I532 D533 G538E414-K536 IonicContact OE1-NZ 4Å; E414-K536 PolarHBondContact OE1-NZ 3.16Å; E414-K536 WeakPolarHBondContact OE2-CE 3.47Å; E414-K536 IonicContact OE2-NZ 3.71Å; E414-K536 PolarHBondContact OE2-NZ 3.44Å; I532-K536 HydrophobicContact CG2-CD 4.37Å; I532-K536 WeakPolarHBondContact O-CG 3.43Å; I532-K536 PolarHBondContact O-N 2.87Å; D533-K536 WeakPolarHBondContact O-CB 3.19Å; D533-K536 PolarHBondContact O-N 2.98Å; D533-K536 IonicContact OD1-NZ 3.88Å; D533-K536 PolarHBondContact OD1-NZ 3.43Å; K536-G538 PolarHBondContact O-N 3.19Å
537E94Very high94.2Very high78 Ų7856.9 Ų56.936%0.36431%0.307SS..THydrogen-bonded Turntrans-69-13.2171.7-72.1-172.8159.600113.7D533 K534 V535 D539 K540 L541D533-E537 PolarHBondContact O-N 2.99Å; K534-E537 VanDerWaalsContact CE-OE2 3.3Å; K534-E537 WeakPolarHBondContact CE-OE2 3.45Å; K534-E537 IonicContact NZ-OE2 3.17Å; K534-E537 PolarHBondContact NZ-OE2 3.34Å; K534-E537 PolarHBondContact O-N 3.37Å; V535-E537 VanDerWaalsContact C-N 3.29Å; V535-E537 PolarHBondContact O-N 3.03Å; E537-D539 VanDerWaalsContact C-N 3.33Å; E537-D539 PolarHBondContact O-N 2.82Å; E537-K540 WeakPolarHBondContact O-CA 3.46Å; E537-K540 WeakPolarHBondContact O-CB 3.49Å; E537-K540 PolarHBondContact O-N 3.39Å; E537-L541 HydrophobicContact CB-CD1 4.18Å; E537-L541 HydrophobicContact CB-CG 4.32Å; E537-L541 WeakPolarHBondContact O-CG 3.38Å; E537-L541 PolarHBondContact O-N 2.82Å
538G91.4Very high94.1Very high0 Ų058.7 Ų58.70%032%0.318CS..Hα-helixtrans-50.2-44.7-172.100000114.6K534 V535 K536 K540 L541 V542K534-G538 PolarHBondContact O-N 3.13Å; V535-G538 WeakPolarHBondContact O-CA 3.43Å; V535-G538 PolarHBondContact O-N 3.03Å; K536-G538 PolarHBondContact O-N 3.19Å; G538-K540 PolarHBondContact O-N 3.49Å; G538-L541 PolarHBondContact O-N 3.15Å; G538-V542 WeakPolarHBondContact O-CG2 3.38Å; G538-V542 PolarHBondContact O-N 2.79Å
539D91.1Very high93.9Very high100 Ų10063 Ų6354%0.53535%0.345SS..Hα-helixtrans-66-37.1177.6-72.3-57.6000113.1E537 L541 V542 A543 K552E537-D539 VanDerWaalsContact C-N 3.33Å; E537-D539 PolarHBondContact O-N 2.82Å; D539-L541 VanDerWaalsContact C-N 3.32Å; D539-V542 PolarHBondContact O-N 3.5Å; D539-A543 VanDerWaalsContact O-CB 3.3Å; D539-A543 WeakPolarHBondContact O-CB 3.49Å; D539-A543 PolarHBondContact O-N 2.61Å; D539-K552 IonicContact OD1-NZ 2.78Å; D539-K552 PolarHBondContact OD1-NZ 2.72Å; D539-K552 WeakPolarHBondContact OD2-CE 3.4Å; D539-K552 IonicContact OD2-NZ 3.68Å; D539-K552 PolarHBondContact OD2-NZ 3.4Å
540K93.9Very high93.7Very high158 Ų15867.7 Ų67.769%0.68737%0.368SS*.Hα-helixtrans-67-37.1174.6-60.9174.5-177.8169.90110.8E537 G538 A544E537-K540 WeakPolarHBondContact O-CA 3.46Å; E537-K540 WeakPolarHBondContact O-CB 3.49Å; E537-K540 PolarHBondContact O-N 3.39Å; G538-K540 PolarHBondContact O-N 3.49Å; K540-A544 WeakPolarHBondContact O-CB 3.49Å; K540-A544 PolarHBondContact O-N 3.24Å
541L91.6Very high93.4Very high16 Ų1667.4 Ų67.48%0.08436%0.36CS..Hα-helixtrans-71.1-38178.2-64.2173.2000112.2E537 G538 D539 A544 N545 K546 I547E537-L541 HydrophobicContact CB-CD1 4.18Å; E537-L541 HydrophobicContact CB-CG 4.32Å; E537-L541 WeakPolarHBondContact O-CG 3.38Å; E537-L541 PolarHBondContact O-N 2.82Å; G538-L541 PolarHBondContact O-N 3.15Å; D539-L541 VanDerWaalsContact C-N 3.32Å; L541-A544 PolarHBondContact O-N 3.37Å; L541-N545 PolarHBondContact O-N 2.84Å; L541-K546 HydrophobicContact CB-CB 4.43Å; L541-K546 HydrophobicContact CD2-CB 4.26Å; L541-K546 HydrophobicContact CD2-CD 3.81Å; L541-K546 PolarHBondContact O-N 3.47Å; L541-I547 HydrophobicContact CB-CD1 3.73Å; L541-I547 HydrophobicContact CB-CG1 3.73Å; L541-I547 HydrophobicContact CB-CG2 4.4Å; L541-I547 HydrophobicContact CD1-CD1 4.24Å; L541-I547 PolarHBondContact O-N 2.83Å
542V93.6Very high93.3Very high35 Ų3569.8 Ų69.821%0.21237%0.37CS..Hα-helixtrans-65.4-48.9171.8172.70000110.5G538 D539 A544 N545 I547 K552G538-V542 WeakPolarHBondContact O-CG2 3.38Å; G538-V542 PolarHBondContact O-N 2.79Å; D539-V542 PolarHBondContact O-N 3.5Å; V542-A544 PolarHBondContact O-N 3.39Å; V542-N545 PolarHBondContact O-N 2.74Å; V542-I547 HydrophobicContact CG2-CD1 4.16Å; V542-I547 HydrophobicContact CG2-CG1 3.72Å; V542-K552 HydrophobicContact CG2-CB 4.14Å
543A94.8Very high93.1Very high82 Ų8274 Ų7468%0.67840%0.396SS*.Hα-helixtrans-60.8-31.4177.600000113D539 N545D539-A543 VanDerWaalsContact O-CB 3.3Å; D539-A543 WeakPolarHBondContact O-CB 3.49Å; D539-A543 PolarHBondContact O-N 2.61Å; A543-N545 VanDerWaalsContact C-N 3.28Å; A543-N545 PolarHBondContact O-N 2.78Å
544A93.6Very high92.9Very high56 Ų5671.5 Ų71.546%0.46339%0.387SS..THydrogen-bonded Turntrans-82.96.1174.400000114.3K540 L541 V542 K546K540-A544 WeakPolarHBondContact O-CB 3.49Å; K540-A544 PolarHBondContact O-N 3.24Å; L541-A544 PolarHBondContact O-N 3.37Å; V542-A544 PolarHBondContact O-N 3.39Å; A544-K546 HydrophobicContact CB-CD 4.35Å; A544-K546 HydrophobicContact CB-CG 4.1Å; A544-K546 PolarHBondContact O-N 3.41Å; A544-K546 VanDerWaalsContact O-N 3.15Å
545N91.9Very high92.9Very high151 Ų15170 Ų7081%0.80738%0.381SS*.THydrogen-bonded Turntrans53.127.8-174.2-62.2-69.8000114.3L541 V542 A543L541-N545 PolarHBondContact O-N 2.84Å; V542-N545 PolarHBondContact O-N 2.74Å; A543-N545 VanDerWaalsContact C-N 3.28Å; A543-N545 PolarHBondContact O-N 2.78Å
546K90.1Very high92.9Very high126 Ų12671.1 Ų71.155%0.54839%0.389SS..SBendtrans-84.8-29.9177.6-69.6-175.2176-176.40112.7F226 L541 A544F226-K546 WeakPolarHBondContact CE1-O 3.32Å; L541-K546 HydrophobicContact CB-CB 4.43Å; L541-K546 HydrophobicContact CD2-CB 4.26Å; L541-K546 HydrophobicContact CD2-CD 3.81Å; L541-K546 PolarHBondContact O-N 3.47Å; A544-K546 HydrophobicContact CB-CD 4.35Å; A544-K546 HydrophobicContact CB-CG 4.1Å; A544-K546 PolarHBondContact O-N 3.41Å; A544-K546 VanDerWaalsContact O-N 3.15Å
547I92.1Very high92.8Very high14 Ų1471.7 Ų71.77%0.07239%0.392CS..SBendtrans-137.9160175.771.2177.9000109.4L239 L541 V542 D551 K552 M555L239-I547 HydrophobicContact CD1-CG2 4.42Å; L239-I547 HydrophobicContact CD2-CG2 4Å; L541-I547 HydrophobicContact CB-CD1 3.73Å; L541-I547 HydrophobicContact CB-CG1 3.73Å; L541-I547 HydrophobicContact CB-CG2 4.4Å; L541-I547 HydrophobicContact CD1-CD1 4.24Å; L541-I547 PolarHBondContact O-N 2.83Å; V542-I547 HydrophobicContact CG2-CD1 4.16Å; V542-I547 HydrophobicContact CG2-CG1 3.72Å; I547-D551 HydrophobicContact CB-CB 4.02Å; I547-K552 HydrophobicContact CD1-CB 4.31Å; I547-M555 HydrophobicContact CD1-SD 3.63Å
548T93.1Very high92.9Very high72 Ų7269.7 Ų69.744%0.44238%0.381SS..  trans-85.9163.917370.10000111.8Q550 D551 K552T548-Q550 PolarHBondContact O-N 2.87Å; T548-Q550 PolarHBondContact OG1-N 2.68Å; T548-D551 VanDerWaalsContact CB-OD2 3.31Å; T548-D551 WeakPolarHBondContact CB-OD2 3.38Å; T548-D551 WeakPolarHBondContact CG2-OD2 3.45Å; T548-D551 PolarHBondContact N-OD2 3.08Å; T548-D551 WeakPolarHBondContact O-CB 3.34Å; T548-D551 PolarHBondContact O-N 3.01Å; T548-D551 VanDerWaalsContact O-N 3.14Å; T548-D551 PolarHBondContact OG1-N 3.4Å; T548-D551 PolarHBondContact OG1-OD2 3.04Å; T548-K552 PolarHBondContact O-N 3.07Å
549T92.8Very high93.2Very high95 Ų9569.8 Ų69.858%0.58338%0.381SS*.Hα-helixtrans-59.2-31.8170.7-44.60000112.2K552 V553T549-K552 PolarHBondContact O-N 2.8Å; T549-V553 WeakPolarHBondContact O-CG2 3.26Å; T549-V553 PolarHBondContact O-N 3.22Å
550Q92.3Very high93.5Very high166 Ų16665.1 Ų65.178%0.77636%0.356SS*.Hα-helixtrans-68.8-41.2174.7-70.4-176.5-27.300111.7T548 K552 V553 A554T548-Q550 PolarHBondContact O-N 2.87Å; T548-Q550 PolarHBondContact OG1-N 2.68Å; Q550-K552 VanDerWaalsContact C-N 3.33Å; Q550-K552 PolarHBondContact O-N 3.44Å; Q550-V553 PolarHBondContact O-N 2.91Å; Q550-A554 PolarHBondContact O-N 3.07Å
551D91.2Very high93.6Very high39 Ų3958.4 Ų58.421%0.20933%0.328CS..Hα-helixtrans-60.9-42.8173.9-59.4-56.5000110.5L239 I547 T548 V553 A554 M555L239-D551 HydrophobicContact CD2-CB 4.34Å; I547-D551 HydrophobicContact CB-CB 4.02Å; T548-D551 VanDerWaalsContact CB-OD2 3.31Å; T548-D551 WeakPolarHBondContact CB-OD2 3.38Å; T548-D551 WeakPolarHBondContact CG2-OD2 3.45Å; T548-D551 PolarHBondContact N-OD2 3.08Å; T548-D551 WeakPolarHBondContact O-CB 3.34Å; T548-D551 PolarHBondContact O-N 3.01Å; T548-D551 VanDerWaalsContact O-N 3.14Å; T548-D551 PolarHBondContact OG1-N 3.4Å; T548-D551 PolarHBondContact OG1-OD2 3.04Å; D551-V553 PolarHBondContact O-N 2.92Å; D551-A554 CarbonylContact O-C 3.52Å; D551-A554 WeakPolarHBondContact O-CB 3.41Å; D551-A554 PolarHBondContact O-N 3.37Å; D551-A554 VanDerWaalsContact O-N 3.15Å; D551-M555 VanDerWaalsContact O-CG 3.28Å; D551-M555 WeakPolarHBondContact O-CG 3.39Å; D551-M555 PolarHBondContact O-N 2.99Å
552K92.8Very high93.9Very high49 Ų4957.6 Ų57.621%0.21332%0.324CS..Hα-helixtrans-56.1-47.6175.2-172.2-165176.9-168.80112D539 V542 I547 T548 T549 Q550 A554 M555 S556D539-K552 IonicContact OD1-NZ 2.78Å; D539-K552 PolarHBondContact OD1-NZ 2.72Å; D539-K552 WeakPolarHBondContact OD2-CE 3.4Å; D539-K552 IonicContact OD2-NZ 3.68Å; D539-K552 PolarHBondContact OD2-NZ 3.4Å; V542-K552 HydrophobicContact CG2-CB 4.14Å; I547-K552 HydrophobicContact CD1-CB 4.31Å; T548-K552 PolarHBondContact O-N 3.07Å; T549-K552 PolarHBondContact O-N 2.8Å; Q550-K552 VanDerWaalsContact C-N 3.33Å; Q550-K552 PolarHBondContact O-N 3.44Å; K552-A554 VanDerWaalsContact C-N 3.32Å; K552-A554 PolarHBondContact O-N 3.37Å; K552-M555 WeakPolarHBondContact O-CB 3.24Å; K552-M555 PolarHBondContact O-N 3.15Å; K552-S556 PolarHBondContact O-N 3.05Å; K552-S556 PolarHBondContact O-OG 2.88Å
553V92.9Very high94.1Very high97 Ų9756.1 Ų56.159%0.58832%0.315SS*.Hα-helixtrans-62.3-40.9177.6173.60000111.1T549 Q550 D551 S556 K557T549-V553 WeakPolarHBondContact O-CG2 3.26Å; T549-V553 PolarHBondContact O-N 3.22Å; Q550-V553 PolarHBondContact O-N 2.91Å; D551-V553 PolarHBondContact O-N 2.92Å; V553-S556 PolarHBondContact O-N 3.19Å; V553-K557 PolarHBondContact O-N 3.4Å
554A92.7Very high94.3Very high33 Ų3353.2 Ų53.227%0.27329%0.287SS..Hα-helixtrans-64.6-37.5175.300000112.7Q550 D551 K552 K557 R558Q550-A554 PolarHBondContact O-N 3.07Å; D551-A554 CarbonylContact O-C 3.52Å; D551-A554 WeakPolarHBondContact O-CB 3.41Å; D551-A554 PolarHBondContact O-N 3.37Å; D551-A554 VanDerWaalsContact O-N 3.15Å; K552-A554 VanDerWaalsContact C-N 3.32Å; K552-A554 PolarHBondContact O-N 3.37Å; A554-K557 PolarHBondContact O-N 3.49Å; A554-R558 WeakPolarHBondContact O-CB 3.47Å; A554-R558 WeakPolarHBondContact O-CD 3.5Å; A554-R558 VanDerWaalsContact O-CG 3.24Å; A554-R558 WeakPolarHBondContact O-CG 3.37Å; A554-R558 PolarHBondContact O-N 3.46Å
555M94.6Very high94.5Very high1 Ų150.5 Ų50.51%0.00527%0.265CS..Hα-helixtrans-62.7-45.4173.8-65.8171.864.700111.4L238 L239 K534 V535 I547 D551 K552 K557 R558 L559L238-M555 HydrophobicContact CB-CG 4.14Å; L238-M555 HydrophobicContact CD1-CE 4.35Å; L238-M555 WeakPolarHBondContact O-CG 3.26Å; L239-M555 HydrophobicContact CD2-CG 3.82Å; L239-M555 HydrophobicContact CD2-SD 3.61Å; L239-M555 HydrophobicContact CG-SD 4.41Å; K534-M555 HydrophobicContact CB-CE 4.36Å; K534-M555 HydrophobicContact CG-CE 3.89Å; K534-M555 WeakPolarHBondContact O-CE 3.43Å; V535-M555 HydrophobicContact CG2-CB 4.09Å; V535-M555 HydrophobicContact CG2-CE 4.42Å; I547-M555 HydrophobicContact CD1-SD 3.63Å; D551-M555 VanDerWaalsContact O-CG 3.28Å; D551-M555 WeakPolarHBondContact O-CG 3.39Å; D551-M555 PolarHBondContact O-N 2.99Å; K552-M555 WeakPolarHBondContact O-CB 3.24Å; K552-M555 PolarHBondContact O-N 3.15Å; M555-K557 PolarHBondContact O-N 3.45Å; M555-R558 PolarHBondContact O-N 3.08Å; M555-L559 WeakPolarHBondContact O-CB 3.48Å; M555-L559 PolarHBondContact O-N 3.46Å
556S94.8Very high94.8Very high32 Ų3243.5 Ų43.522%0.22423%0.227CC..Hα-helixtrans-60.9-44.4176.3-63.80000112.1K552 V553 R558 L559 S560K552-S556 PolarHBondContact O-N 3.05Å; K552-S556 PolarHBondContact O-OG 2.88Å; V553-S556 PolarHBondContact O-N 3.19Å; S556-R558 VanDerWaalsContact C-N 3.33Å; S556-R558 PolarHBondContact O-N 3.35Å; S556-L559 PolarHBondContact O-N 3.26Å; S556-S560 PolarHBondContact O-N 2.99Å
557K94.5Very high95.2Very high106 Ų10638.2 Ų38.246%0.46120%0.204SC..Hα-helixtrans-59.9-41.9175.3-178.6169.7-171.476.30112.3D407 V553 A554 M555 S560 T561D407-K557 WeakPolarHBondContact OD1-CG 3.45Å; D407-K557 IonicContact OD1-NZ 2.78Å; D407-K557 PolarHBondContact OD1-NZ 3.22Å; D407-K557 IonicContact OD2-NZ 3.8Å; D407-K557 PolarHBondContact OD2-NZ 2.84Å; V553-K557 PolarHBondContact O-N 3.4Å; A554-K557 PolarHBondContact O-N 3.49Å; M555-K557 PolarHBondContact O-N 3.45Å; K557-S560 VanDerWaalsContact O-CB 3.24Å; K557-S560 WeakPolarHBondContact O-CB 3.47Å; K557-S560 PolarHBondContact O-N 3.05Å; K557-T561 PolarHBondContact O-N 2.91Å; K557-T561 VanDerWaalsContact O-N 3.13Å
558R95.3Very high95.4Very high36 Ų3637.5 Ų37.514%0.13620%0.201CC..Hα-helixtrans-67.3-37.9177.6-76.8169.6-178.9161.9-2.2112.9Y237 L238 C240 A554 M555 S556 S560 T561 M562Y237-R558 HydrophobicContact CD1-CB 4.2Å; Y237-R558 HydrophobicContact CE1-CB 3.52Å; Y237-R558 HydrophobicContact CE1-CG 3.94Å; Y237-R558 HydrophobicContact CE2-CG 4.31Å; Y237-R558 WeakPolarHBondContact O-CD 3.46Å; L238-R558 HydrophobicContact CD2-CB 3.87Å; L238-R558 WeakPolarHBondContact O-CD 3.46Å; L238-R558 PolarHBondContact O-NH1 3.1Å; C240-R558 PolarHBondContact O-NH1 3.28Å; C240-R558 PolarHBondContact O-NH2 3.23Å; A554-R558 WeakPolarHBondContact O-CB 3.47Å; A554-R558 WeakPolarHBondContact O-CD 3.5Å; A554-R558 VanDerWaalsContact O-CG 3.24Å; A554-R558 WeakPolarHBondContact O-CG 3.37Å; A554-R558 PolarHBondContact O-N 3.46Å; M555-R558 PolarHBondContact O-N 3.08Å; S556-R558 VanDerWaalsContact C-N 3.33Å; S556-R558 PolarHBondContact O-N 3.35Å; R558-S560 VanDerWaalsContact C-N 3.27Å; R558-S560 PolarHBondContact O-N 3.36Å; R558-T561 WeakPolarHBondContact O-CB 3.37Å; R558-T561 PolarHBondContact O-N 3.1Å; R558-M562 PolarHBondContact O-N 2.7Å
559L97.3Very high95.7Very high2 Ų234.5 Ų34.51%0.0118%0.182CC..Hα-helixtrans-62-36.5171.417763.6000111.6P410 V413 A531 I532 V535 M555 S556 M562 S563P410-L559 HydrophobicContact CB-CD2 4.23Å; V413-L559 HydrophobicContact CB-CG 4.42Å; V413-L559 HydrophobicContact CG1-CD1 3.79Å; V413-L559 HydrophobicContact CG1-CD2 4.32Å; V413-L559 HydrophobicContact CG1-CG 3.88Å; V413-L559 HydrophobicContact CG2-CG 4.46Å; A531-L559 HydrophobicContact CB-CD1 4.18Å; I532-L559 HydrophobicContact CG1-CD1 3.75Å; I532-L559 HydrophobicContact CG1-CD2 4.27Å; V535-L559 HydrophobicContact CB-CD2 3.83Å; V535-L559 HydrophobicContact CG1-CD2 4.05Å; V535-L559 HydrophobicContact CG2-CB 3.92Å; V535-L559 HydrophobicContact CG2-CD2 3.74Å; V535-L559 HydrophobicContact CG2-CG 4.37Å; M555-L559 WeakPolarHBondContact O-CB 3.48Å; M555-L559 PolarHBondContact O-N 3.46Å; S556-L559 PolarHBondContact O-N 3.26Å; L559-M562 PolarHBondContact O-N 3.3Å; L559-S563 PolarHBondContact O-N 3.21Å
560S97.3Very high95.9Very high1 Ų130 Ų301%0.00715%0.154CC..Hα-helixtrans-60-46.1170.6-1720000112L408 S556 K557 R558 M562 S563 Y564L408-S560 WeakPolarHBondContact CB-OG 3.43Å; L408-S560 WeakPolarHBondContact CG-OG 3.3Å; L408-S560 PolarHBondContact N-OG 3.07Å; S556-S560 PolarHBondContact O-N 2.99Å; K557-S560 VanDerWaalsContact O-CB 3.24Å; K557-S560 WeakPolarHBondContact O-CB 3.47Å; K557-S560 PolarHBondContact O-N 3.05Å; R558-S560 VanDerWaalsContact C-N 3.27Å; R558-S560 PolarHBondContact O-N 3.36Å; S560-M562 VanDerWaalsContact C-N 3.34Å; S560-M562 PolarHBondContact O-N 3.04Å; S560-S563 WeakPolarHBondContact O-CB 3.46Å; S560-S563 PolarHBondContact O-N 3.28Å; S560-S563 VanDerWaalsContact O-N 3.14Å; S560-Y564 VanDerWaalsContact O-CD2 3.27Å; S560-Y564 WeakPolarHBondContact O-CD2 3.47Å; S560-Y564 PolarHBondContact O-N 3.4Å; S560-Y564 WeakPolarHBondContact OG-CE2 3.35Å
561T96.9Very high96.2Very high17 Ų1723.5 Ų23.510%0.10413%0.125CC..Hα-helixtrans-57.7-43.4174.7-58.10000112.5Y237 I401 P403 K557 R558 Y564 T565Y237-T561 WeakPolarHBondContact OH-CB 3.49Å; I401-T561 HydrophobicContact CB-CG2 4.1Å; I401-T561 HydrophobicContact CG2-CG2 4.11Å; P403-T561 HydrophobicContact CG-CG2 4.22Å; K557-T561 PolarHBondContact O-N 2.91Å; K557-T561 VanDerWaalsContact O-N 3.13Å; R558-T561 WeakPolarHBondContact O-CB 3.37Å; R558-T561 PolarHBondContact O-N 3.1Å; T561-Y564 PolarHBondContact O-N 2.98Å; T561-T565 PolarHBondContact O-N 3Å; T561-T565 PolarHBondContact O-OG1 3.25Å
562M97.6Very high96.5Very high0 Ų022 Ų220%012%0.117CC..Hα-helixtrans-61.6-45.3174.1-67.3178.467.900111.3Y237 F398 V527 H528 A531 R558 L559 S560 Y564 T565 L566Y237-M562 HydrophobicContact CD1-CG 4.21Å; Y237-M562 HydrophobicContact CD1-SD 3.93Å; Y237-M562 HydrophobicContact CE1-CG 3.88Å; Y237-M562 HydrophobicContact CE1-SD 4.15Å; F398-M562 HydrophobicContact CB-CG 4.47Å; F398-M562 HydrophobicContact CD1-CB 4.46Å; F398-M562 HydrophobicContact CD1-CG 3.85Å; F398-M562 HydrophobicContact CD2-CE 4.32Å; F398-M562 HydrophobicContact CD2-CG 3.85Å; F398-M562 HydrophobicContact CD2-SD 4.29Å; F398-M562 HydrophobicContact CE1-CB 4.29Å; F398-M562 HydrophobicContact CE1-CG 3.95Å; F398-M562 HydrophobicContact CE2-CE 3.72Å; F398-M562 HydrophobicContact CE2-CG 3.98Å; F398-M562 HydrophobicContact CE2-SD 4.28Å; F398-M562 HydrophobicContact CG-CG 3.81Å; F398-M562 HydrophobicContact CZ-CE 3.98Å; F398-M562 HydrophobicContact CZ-CG 4.03Å; V527-M562 HydrophobicContact CG1-CE 4.06Å; H528-M562 PolarHBondContact CE1-O 3.31Å; A531-M562 HydrophobicContact CB-CE 3.63Å; A531-M562 HydrophobicContact CB-SD 3.71Å; R558-M562 PolarHBondContact O-N 2.7Å; L559-M562 PolarHBondContact O-N 3.3Å; S560-M562 VanDerWaalsContact C-N 3.34Å; S560-M562 PolarHBondContact O-N 3.04Å; M562-Y564 PolarHBondContact O-N 2.8Å; M562-T565 WeakPolarHBondContact O-CB 3.39Å; M562-T565 PolarHBondContact O-N 3.37Å; M562-L566 PolarHBondContact O-N 2.89Å
563S97.9Very high96.8Very high4 Ų420.1 Ų20.13%0.02811%0.109CC..Hα-helixtrans-59.8-45.2177.2-170.90000112.8L559 S560 T565 L566 Q567L559-S563 PolarHBondContact O-N 3.21Å; S560-S563 WeakPolarHBondContact O-CB 3.46Å; S560-S563 PolarHBondContact O-N 3.28Å; S560-S563 VanDerWaalsContact O-N 3.14Å; S563-T565 VanDerWaalsContact C-N 3.29Å; S563-T565 PolarHBondContact O-N 3.15Å; S563-L566 PolarHBondContact O-N 2.99Å; S563-Q567 WeakPolarHBondContact O-CB 3.36Å; S563-Q567 VanDerWaalsContact O-CG 3.31Å; S563-Q567 WeakPolarHBondContact O-CG 3.31Å; S563-Q567 PolarHBondContact O-N 2.87Å; S563-Q567 PolarHBondContact O-NE2 3.41Å; S563-Q567 PolarHBondContact OG-NE2 2.92Å; S563-Q567 VanDerWaalsContact OG-NE2 3.11Å
564Y98.2Very high97Very high20 Ų2017.6 Ų17.68%0.0789%0.09CC..Hα-helixtrans-60-40.1175-82.4-58.9000112.2P259 P403 A405 A406 L408 S560 T561 M562 Q567 A568P259-Y564 HydrophobicContact CB-CD1 3.82Å; P259-Y564 HydrophobicContact CB-CE1 4.45Å; P259-Y564 HydrophobicContact CG-CD1 3.49Å; P259-Y564 VanDerWaalsContact CG-CD1 3.49Å; P259-Y564 HydrophobicContact CG-CE1 3.73Å; P403-Y564 HydrophobicContact CB-CD1 4.49Å; P403-Y564 HydrophobicContact CB-CD2 3.57Å; P403-Y564 HydrophobicContact CB-CE2 4.21Å; P403-Y564 HydrophobicContact CB-CG 3.75Å; P403-Y564 HydrophobicContact CG-CD2 3.72Å; P403-Y564 HydrophobicContact CG-CG 3.94Å; A405-Y564 HydrophobicContact CB-CE1 3.89Å; A405-Y564 HydrophobicContact CB-CE2 3.96Å; A405-Y564 VanDerWaalsContact CB-CZ 3.45Å; A405-Y564 VanDerWaalsContact CB-OH 3.28Å; A405-Y564 WeakPolarHBondContact CB-OH 3.34Å; A406-Y564 WeakPolarHBondContact O-CE2 3.38Å; A406-Y564 PolarHBondContact O-OH 3.43Å; L408-Y564 HydrophobicContact CD1-CD1 4.35Å; L408-Y564 HydrophobicContact CD1-CD2 4.06Å; L408-Y564 HydrophobicContact CD1-CE1 4.06Å; L408-Y564 HydrophobicContact CD1-CE2 3.77Å; L408-Y564 HydrophobicContact CD1-CG 4.33Å; L408-Y564 HydrophobicContact CD2-CE1 4.45Å; L408-Y564 HydrophobicContact CD2-CE2 4.38Å; L408-Y564 WeakPolarHBondContact CD2-OH 3.37Å; L408-Y564 HydrophobicContact CG-CD2 4.42Å; L408-Y564 HydrophobicContact CG-CE1 4.38Å; L408-Y564 HydrophobicContact CG-CE2 3.67Å; S560-Y564 VanDerWaalsContact O-CD2 3.27Å; S560-Y564 WeakPolarHBondContact O-CD2 3.47Å; S560-Y564 PolarHBondContact O-N 3.4Å; S560-Y564 WeakPolarHBondContact OG-CE2 3.35Å; T561-Y564 PolarHBondContact O-N 2.98Å; M562-Y564 PolarHBondContact O-N 2.8Å; Y564-Q567 PolarHBondContact O-N 3.44Å; Y564-A568 WeakPolarHBondContact O-CB 3.34Å; Y564-A568 PolarHBondContact O-N 3.02Å
565T97.9Very high97.2Very high0 Ų019.6 Ų19.60%010%0.102CC..Hα-helixtrans-60.7-50.7175.4-54.40000111.7W261 A322 F398 I401 T561 M562 S563 Q567 A568 E569W261-T565 HydrophobicContact CH2-CG2 3.75Å; W261-T565 HydrophobicContact CZ2-CG2 3.95Å; A322-T565 HydrophobicContact CB-CG2 3.8Å; F398-T565 HydrophobicContact CD1-CG2 4.2Å; F398-T565 HydrophobicContact CE1-CG2 3.72Å; I401-T565 HydrophobicContact CD1-CG2 3.75Å; I401-T565 WeakPolarHBondContact CD1-OG1 3.35Å; T561-T565 PolarHBondContact O-N 3Å; T561-T565 PolarHBondContact O-OG1 3.25Å; M562-T565 WeakPolarHBondContact O-CB 3.39Å; M562-T565 PolarHBondContact O-N 3.37Å; S563-T565 VanDerWaalsContact C-N 3.29Å; S563-T565 PolarHBondContact O-N 3.15Å; T565-Q567 VanDerWaalsContact C-N 3.32Å; T565-Q567 PolarHBondContact O-N 2.84Å; T565-A568 PolarHBondContact O-N 3.12Å; T565-E569 WeakPolarHBondContact O-CB 3.39Å; T565-E569 PolarHBondContact O-N 2.62Å
566L98.1Very high97.3Very high4 Ų420.6 Ų20.62%0.02111%0.107CC..Hα-helixtrans-65.8-33.5179.5-176.962.6000112.7F420 I525 H528 M562 S563 M570F420-L566 HydrophobicContact CD2-CD2 3.92Å; F420-L566 HydrophobicContact CD2-CG 3.84Å; F420-L566 HydrophobicContact CE2-CG 4.22Å; I525-L566 HydrophobicContact CG1-CD1 4.46Å; H528-L566 HydrophobicContact CB-CD2 4.49Å; M562-L566 PolarHBondContact O-N 2.89Å; S563-L566 PolarHBondContact O-N 2.99Å; L566-M570 WeakPolarHBondContact O-CB 3.39Å; L566-M570 PolarHBondContact O-N 3.14Å
567Q98.1Very high97.5Very high14 Ų1422.1 Ų22.17%0.06511%0.108CC..Hα-helixtrans-70.1-44.4175-73.7-179.681.700111.9P259 F420 S563 Y564 T565 E569 M570 N571P259-Q567 HydrophobicContact CB-CB 3.87Å; P259-Q567 HydrophobicContact CG-CB 3.8Å; F420-Q567 HydrophobicContact CE2-CB 4.49Å; F420-Q567 HydrophobicContact CE2-CG 3.73Å; F420-Q567 HydrophobicContact CZ-CG 3.92Å; S563-Q567 WeakPolarHBondContact O-CB 3.36Å; S563-Q567 VanDerWaalsContact O-CG 3.31Å; S563-Q567 WeakPolarHBondContact O-CG 3.31Å; S563-Q567 PolarHBondContact O-N 2.87Å; S563-Q567 PolarHBondContact O-NE2 3.41Å; S563-Q567 PolarHBondContact OG-NE2 2.92Å; S563-Q567 VanDerWaalsContact OG-NE2 3.11Å; Y564-Q567 PolarHBondContact O-N 3.44Å; T565-Q567 VanDerWaalsContact C-N 3.32Å; T565-Q567 PolarHBondContact O-N 2.84Å; Q567-E569 VanDerWaalsContact C-N 3.28Å; Q567-E569 PolarHBondContact O-N 3.46Å; Q567-M570 PolarHBondContact O-N 3.08Å; Q567-N571 WeakPolarHBondContact O-CB 3.43Å; Q567-N571 PolarHBondContact O-N 2.83Å
568A98.3Very high97.6Very high0 Ų022.1 Ų22.10%011%0.112CC..Hα-helixtrans-59.6-41.2174.200000111.6I252 P259 W261 Y564 T565 N571 H572I252-A568 HydrophobicContact CD1-CB 4.03Å; I252-A568 HydrophobicContact CG1-CB 4.23Å; I252-A568 HydrophobicContact CG2-CB 4.06Å; P259-A568 WeakPolarHBondContact O-CA 3.19Å; W261-A568 HydrophobicContact CD2-CB 3.97Å; W261-A568 HydrophobicContact CE3-CB 4.47Å; W261-A568 HydrophobicContact CG-CB 4.16Å; Y564-A568 WeakPolarHBondContact O-CB 3.34Å; Y564-A568 PolarHBondContact O-N 3.02Å; T565-A568 PolarHBondContact O-N 3.12Å; A568-N571 PolarHBondContact O-N 2.92Å; A568-H572 PolarHBondContact O-N 3.4Å
569E98.2Very high97.7Very high8 Ų826.5 Ų26.54%0.03713%0.13CC..Hα-helixtrans-69.7-43.2177.7-170.351-142.200113W261 P324 H359 T565 Q567 N571 H572 F573W261-E569 PolarHBondContact NE1-OE2 2.71Å; P324-E569 VanDerWaalsContact CD-CG 3.49Å; P324-E569 HydrophobicContact CG-CG 4.41Å; H359-E569 IonicContact CD2-OE1 2.84Å; H359-E569 IonicContact CE1-OE2 2.76Å; H359-E569 IonicContact NE2-OE1 3.28Å; H359-E569 IonicContact NE2-OE2 3.66Å; H359-E569 PolarHBondContact NE2-OE2 3.09Å; T565-E569 WeakPolarHBondContact O-CB 3.39Å; T565-E569 PolarHBondContact O-N 2.62Å; Q567-E569 VanDerWaalsContact C-N 3.28Å; Q567-E569 PolarHBondContact O-N 3.46Å; E569-N571 VanDerWaalsContact C-N 3.27Å; E569-N571 PolarHBondContact O-N 2.79Å; E569-H572 WeakPolarHBondContact O-CB 3.39Å; E569-H572 PolarHBondContact O-N 3.11Å; E569-H572 IonicContact OE1-CD2 2.79Å; E569-F573 WeakPolarHBondContact O-CB 3.48Å; E569-F573 PolarHBondContact O-N 3.29Å
570M98.1Very high97.7Very high0 Ų027.2 Ų27.20%013%0.133CC..Hα-helixtrans-64.3-34.5175.3-170.355.957.900112F420 F423 T424 F521 L566 Q567 F573 H574F420-M570 HydrophobicContact CB-CE 4.15Å; F420-M570 HydrophobicContact CD1-CB 4.24Å; F420-M570 HydrophobicContact CD1-CE 4.45Å; F420-M570 HydrophobicContact CD1-CG 3.64Å; F420-M570 HydrophobicContact CD2-CB 4.44Å; F420-M570 HydrophobicContact CE1-CB 3.97Å; F420-M570 HydrophobicContact CE1-CG 3.58Å; F420-M570 HydrophobicContact CE2-CB 4.17Å; F420-M570 HydrophobicContact CG-CB 4.47Å; F420-M570 HydrophobicContact CG-CE 4.29Å; F420-M570 HydrophobicContact CG-CG 4.2Å; F420-M570 HydrophobicContact CZ-CB 3.92Å; F420-M570 HydrophobicContact CZ-CG 4.07Å; F423-M570 HydrophobicContact CD1-SD 4.13Å; F423-M570 HydrophobicContact CE1-SD 4.15Å; T424-M570 HydrophobicContact CG2-CE 3.67Å; F521-M570 HydrophobicContact CD1-CE 3.99Å; F521-M570 HydrophobicContact CE1-CE 3.32Å; F521-M570 HydrophobicContact CZ-CE 3.62Å; F521-M570 HydrophobicContact CZ-SD 4.49Å; L566-M570 WeakPolarHBondContact O-CB 3.39Å; L566-M570 PolarHBondContact O-N 3.14Å; Q567-M570 PolarHBondContact O-N 3.08Å; M570-F573 PolarHBondContact O-N 3.17Å; M570-F573 HydrophobicContact SD-CB 4.41Å; M570-F573 HydrophobicContact SD-CD1 3.81Å; M570-F573 HydrophobicContact SD-CG 4.43Å; M570-H574 WeakPolarHBondContact O-CB 3.28Å; M570-H574 PolarHBondContact O-N 3.41Å; M570-H574 PolarHBondContact SD-CE1 3.03Å
571N98.1Very high97.8Very high31 Ų3129.3 Ų29.317%0.16614%0.141CC..Hα-helixtrans-68.4-38.6173-82.6-20.5000112.2V257 P259 V260 Q567 A568 E569 H574 S575V257-N571 HydrophobicContact CG2-CB 4.42Å; V257-N571 PolarHBondContact O-ND2 3.42Å; P259-N571 PolarHBondContact O-ND2 3.06Å; V260-N571 HydrophobicContact CG1-CB 4.06Å; Q567-N571 WeakPolarHBondContact O-CB 3.43Å; Q567-N571 PolarHBondContact O-N 2.83Å; A568-N571 PolarHBondContact O-N 2.92Å; E569-N571 VanDerWaalsContact C-N 3.27Å; E569-N571 PolarHBondContact O-N 2.79Å; N571-H574 PolarHBondContact O-N 2.8Å; N571-S575 WeakPolarHBondContact O-CB 3.49Å; N571-S575 PolarHBondContact O-N 3.03Å
572H97.7Very high97.8Very high8 Ų832.8 Ų32.84%0.03716%0.159CC..Hα-helixtrans-60.1-50170.3-176.167.7000111.3Y263 H359 A568 E569 H574 S575 N576Y263-H572 AromaticContact CE1-ND1 3.59Å; Y263-H572 AromaticContact CZ-ND1 3.63Å; Y263-H572 PolarHBondContact OH-ND1 3.14Å; H359-H572 AromaticContact CD2-CD2 3.6Å; H359-H572 AromaticContact CD2-NE2 3.62Å; H359-H572 AromaticContact CG-NE2 3.9Å; A568-H572 PolarHBondContact O-N 3.4Å; E569-H572 WeakPolarHBondContact O-CB 3.39Å; E569-H572 PolarHBondContact O-N 3.11Å; E569-H572 IonicContact OE1-CD2 2.79Å; H572-H574 PolarHBondContact O-N 2.95Å; H572-S575 PolarHBondContact O-N 3.47Å; H572-N576 PolarHBondContact CE1-ND2 3.21Å; H572-N576 PolarHBondContact ND1-ND2 3.41Å; H572-N576 PolarHBondContact NE2-ND2 3.06Å; H572-N576 PolarHBondContact O-N 3.05Å; H572-N576 PolarHBondContact O-ND2 2.95Å
573F98.1Very high97.8Very high9 Ų938.1 Ų38.14%0.03918%0.179CC..Hα-helixtrans-57.3-45.8175.7177.4-94.2000112.2F423 M427 Y514 L517 L518 F521 E569 M570 R577F423-F573 HydrophobicContact CE1-CD1 4.34Å; F423-F573 AromaticContact CE1-CE1 3.82Å; F423-F573 HydrophobicContact CE1-CE1 3.82Å; F423-F573 HydrophobicContact CZ-CE1 4.27Å; M427-F573 HydrophobicContact CE-CZ 4.13Å; M427-F573 HydrophobicContact SD-CE1 3.86Å; M427-F573 HydrophobicContact SD-CZ 3.78Å; Y514-F573 AromaticContact CD1-CE2 3.66Å; Y514-F573 HydrophobicContact CD1-CE2 3.66Å; Y514-F573 AromaticContact CD1-CZ 3.71Å; Y514-F573 HydrophobicContact CD1-CZ 3.71Å; Y514-F573 HydrophobicContact CE1-CD2 4.3Å; Y514-F573 AromaticContact CE1-CE2 3.61Å; Y514-F573 HydrophobicContact CE1-CE2 3.61Å; Y514-F573 AromaticContact CE1-CZ 3.83Å; Y514-F573 HydrophobicContact CE1-CZ 3.83Å; L517-F573 HydrophobicContact CB-CE2 4.18Å; L517-F573 HydrophobicContact CD1-CE2 4.38Å; L518-F573 HydrophobicContact CD2-CE2 4.5Å; L518-F573 HydrophobicContact CD2-CZ 3.86Å; L518-F573 HydrophobicContact CG-CZ 4.26Å; F521-F573 AromaticContact CE2-CD2 3.88Å; F521-F573 HydrophobicContact CE2-CD2 3.88Å; F521-F573 HydrophobicContact CE2-CE2 4.02Å; F521-F573 HydrophobicContact CE2-CG 4.22Å; F521-F573 HydrophobicContact CZ-CB 4.26Å; F521-F573 HydrophobicContact CZ-CD2 4.1Å; F521-F573 HydrophobicContact CZ-CG 4.05Å; E569-F573 WeakPolarHBondContact O-CB 3.48Å; E569-F573 PolarHBondContact O-N 3.29Å; M570-F573 PolarHBondContact O-N 3.17Å; M570-F573 HydrophobicContact SD-CB 4.41Å; M570-F573 HydrophobicContact SD-CD1 3.81Å; M570-F573 HydrophobicContact SD-CG 4.43Å; F573-R577 WeakPolarHBondContact O-CB 3.42Å; F573-R577 PolarHBondContact O-N 2.95Å
574H98.2Very high97.8Very high44 Ų4438.2 Ų38.220%0.20418%0.18CC..Hα-helixtrans-63.7-43.3177.4-75.5-7.3000113F423 M570 N571 H572 R577 I578F423-H574 AromaticContact CD1-CE1 3.89Å; F423-H574 AromaticContact CE1-CE1 3.47Å; F423-H574 VanDerWaalsContact CE1-CE1 3.47Å; F423-H574 WeakPolarHBondContact CE1-CE1 3.47Å; F423-H574 AromaticContact CZ-CE1 3.65Å; M570-H574 WeakPolarHBondContact O-CB 3.28Å; M570-H574 PolarHBondContact O-N 3.41Å; M570-H574 PolarHBondContact SD-CE1 3.03Å; N571-H574 PolarHBondContact O-N 2.8Å; H572-H574 PolarHBondContact O-N 2.95Å; H574-R577 PolarHBondContact O-N 3.47Å; H574-I578 WeakPolarHBondContact O-CD1 3.07Å; H574-I578 VanDerWaalsContact O-CG1 3.28Å; H574-I578 WeakPolarHBondContact O-CG1 3.41Å; H574-I578 PolarHBondContact O-N 3.44Å
575S96.9Very high97.8Very high75 Ų7540.7 Ų40.752%0.52419%0.193SC..Hα-helixtrans-60.8-47.6178-172.10000111.4N571 H572 Y579N571-S575 WeakPolarHBondContact O-CB 3.49Å; N571-S575 PolarHBondContact O-N 3.03Å; H572-S575 PolarHBondContact O-N 3.47Å; S575-Y579 PolarHBondContact O-N 3.41Å
576N96.6Very high97.8Very high21 Ų2145.7 Ų45.711%0.11222%0.216CC..Hα-helixtrans-61.6-47.9175.1-79.7-94.9000111.3R355 Y514 H572 I578 Y579 D580R355-N576 PolarHBondContact NH1-OD1 3.04Å; Y514-N576 PolarHBondContact OH-O 3.14Å; H572-N576 PolarHBondContact CE1-ND2 3.21Å; H572-N576 PolarHBondContact ND1-ND2 3.41Å; H572-N576 PolarHBondContact NE2-ND2 3.06Å; H572-N576 PolarHBondContact O-N 3.05Å; H572-N576 PolarHBondContact O-ND2 2.95Å; N576-I578 VanDerWaalsContact C-N 3.31Å; N576-I578 PolarHBondContact O-N 3.39Å; N576-Y579 PolarHBondContact O-N 3.3Å; N576-Y579 VanDerWaalsContact O-N 3.12Å; N576-D580 WeakPolarHBondContact O-CB 3.46Å; N576-D580 VanDerWaalsContact O-CG 3.28Å; N576-D580 PolarHBondContact O-N 3.29Å
577R97.8Very high97.8Very high65 Ų6548.3 Ų48.325%0.24523%0.229CC..Hα-helixtrans-57-43.3-179.7-178.1-176.360.877.41.1112.3M427 Y514 F573 H574 Y581M427-R577 VanDerWaalsContact CE-CD 3.43Å; M427-R577 HydrophobicContact CE-CG 3.93Å; M427-R577 WeakPolarHBondContact SD-CD 3.21Å; Y514-R577 HydrophobicContact CE1-CB 3.81Å; Y514-R577 HydrophobicContact CE1-CG 4.1Å; Y514-R577 WeakPolarHBondContact OH-CA 3.48Å; Y514-R577 PolarHBondContact OH-N 3.04Å; Y514-R577 VanDerWaalsContact OH-N 3.09Å; F573-R577 WeakPolarHBondContact O-CB 3.42Å; F573-R577 PolarHBondContact O-N 2.95Å; H574-R577 PolarHBondContact O-N 3.47Å; R577-Y581 HydrophobicContact CG-CD2 3.77Å; R577-Y581 HydrophobicContact CG-CE2 4.06Å; R577-Y581 WeakPolarHBondContact O-CB 3.4Å; R577-Y581 WeakPolarHBondContact O-CD2 3.07Å; R577-Y581 PolarHBondContact O-N 3.4Å; R577-Y581 VanDerWaalsContact O-N 3.08Å
578I98.2Very high97.9Very high105 Ų10549.6 Ų49.654%0.53823%0.233SC..Hα-helixtrans-64.6-44.4178.5-69.2163.9000110.3H574 N576 N582H574-I578 WeakPolarHBondContact O-CD1 3.07Å; H574-I578 VanDerWaalsContact O-CG1 3.28Å; H574-I578 WeakPolarHBondContact O-CG1 3.41Å; H574-I578 PolarHBondContact O-N 3.44Å; N576-I578 VanDerWaalsContact C-N 3.31Å; N576-I578 PolarHBondContact O-N 3.39Å; I578-N582 WeakPolarHBondContact O-CB 3.42Å; I578-N582 PolarHBondContact O-N 3.32Å
579Y96.8Very high97.9Very high129 Ų12954.4 Ų54.451%0.50626%0.258SS..Hα-helixtrans-65-52.5178.2177-96.1000112.5S575 N576 N582 R583S575-Y579 PolarHBondContact O-N 3.41Å; N576-Y579 PolarHBondContact O-N 3.3Å; N576-Y579 VanDerWaalsContact O-N 3.12Å; Y579-N582 PolarHBondContact O-N 2.68Å; Y579-R583 WeakPolarHBondContact O-CB 3.23Å; Y579-R583 PolarHBondContact O-N 2.95Å; Y579-R583 PolarHBondContact OH-NH1 2.83Å
580D96.9Very high97.9Very high16 Ų1658.9 Ų58.99%0.08628%0.279CS..Hα-helixtrans-64.9-47.2-174.3-65.3-32.6000111.7R355 T510 Y514 N576 N582 R583 V584R355-D580 IonicContact CZ-OD2 2.79Å; R355-D580 VanDerWaalsContact CZ-OD2 3.28Å; R355-D580 IonicContact NH1-OD2 2.7Å; R355-D580 PolarHBondContact NH1-OD2 3.18Å; R355-D580 IonicContact NH2-OD2 2.85Å; R355-D580 PolarHBondContact NH2-OD2 3.33Å; T510-D580 HydrophobicContact CG2-CB 4.44Å; Y514-D580 HydrophobicContact CE2-CB 3.88Å; Y514-D580 PolarHBondContact OH-OD2 3.01Å; N576-D580 WeakPolarHBondContact O-CB 3.46Å; N576-D580 VanDerWaalsContact O-CG 3.28Å; N576-D580 PolarHBondContact O-N 3.29Å; D580-N582 PolarHBondContact O-N 2.83Å; D580-R583 PolarHBondContact O-N 3.41Å; D580-V584 WeakPolarHBondContact O-CG1 3.27Å; D580-V584 PolarHBondContact O-N 2.68Å
581Y98.4Very high97.9Very high45 Ų4561 Ų6118%0.17629%0.289CS..Hα-helixtrans-67.4-34.6178.1-84.9-90.6000112.6M427 V431 N511 Y514 R577 M585M427-Y581 HydrophobicContact CE-CE2 3.81Å; V431-Y581 WeakPolarHBondContact CG2-OH 3.4Å; N511-Y581 PolarHBondContact OD1-OH 2.85Å; Y514-Y581 HydrophobicContact CD1-CE2 4.17Å; Y514-Y581 HydrophobicContact CD2-CD2 4.49Å; Y514-Y581 AromaticContact CD2-CE2 3.74Å; Y514-Y581 HydrophobicContact CD2-CE2 3.74Å; Y514-Y581 HydrophobicContact CE1-CE2 4.46Å; Y514-Y581 HydrophobicContact CE2-CD2 4.42Å; Y514-Y581 HydrophobicContact CE2-CE2 4.08Å; Y514-Y581 AromaticContact CG-CE2 3.82Å; Y514-Y581 HydrophobicContact CG-CE2 3.82Å; R577-Y581 HydrophobicContact CG-CD2 3.77Å; R577-Y581 HydrophobicContact CG-CE2 4.06Å; R577-Y581 WeakPolarHBondContact O-CB 3.4Å; R577-Y581 WeakPolarHBondContact O-CD2 3.07Å; R577-Y581 PolarHBondContact O-N 3.4Å; R577-Y581 VanDerWaalsContact O-N 3.08Å; Y581-M585 VanDerWaalsContact O-CB 3.27Å; Y581-M585 WeakPolarHBondContact O-CB 3.32Å; Y581-M585 WeakPolarHBondContact O-CG 3.47Å; Y581-M585 PolarHBondContact O-N 3.07Å; Y581-M585 VanDerWaalsContact O-N 3.12Å
582N98.3Very high97.9Very high90 Ų9060.9 Ų60.948%0.48129%0.288SS..Hα-helixtrans-65.1-50175.9-169.5-22.3000110.3I578 Y579 D580 V584 M585 Q586I578-N582 WeakPolarHBondContact O-CB 3.42Å; I578-N582 PolarHBondContact O-N 3.32Å; Y579-N582 PolarHBondContact O-N 2.68Å; D580-N582 PolarHBondContact O-N 2.83Å; N582-V584 PolarHBondContact O-N 3.41Å; N582-M585 PolarHBondContact O-N 2.9Å; N582-Q586 WeakPolarHBondContact O-CG 3.48Å; N582-Q586 PolarHBondContact O-N 3.34Å; N582-Q586 PolarHBondContact OD1-NE2 3.08Å
583R97.3Very high98Very high112 Ų11264.3 Ų64.342%0.42331%0.309SS..Hα-helixtrans-59.5-48.9178.7-179176.3173.9150.32112.7Y579 D580 M585 Q586 Q587Y579-R583 WeakPolarHBondContact O-CB 3.23Å; Y579-R583 PolarHBondContact O-N 2.95Å; Y579-R583 PolarHBondContact OH-NH1 2.83Å; D580-R583 PolarHBondContact O-N 3.41Å; R583-M585 VanDerWaalsContact C-N 3.34Å; R583-M585 PolarHBondContact O-N 3.24Å; R583-Q586 PolarHBondContact O-N 2.96Å; R583-Q587 PolarHBondContact O-N 3.38Å
584V98.1Very high98Very high7 Ų768.1 Ų68.14%0.04233%0.325CS..Hα-helixtrans-69.1-32.8-177.179.10000112.2F506 L507 T510 D580 N582 Y588F506-V584 HydrophobicContact CB-CG2 4.13Å; L507-V584 HydrophobicContact CB-CG2 4.34Å; L507-V584 HydrophobicContact CD1-CG1 3.99Å; L507-V584 HydrophobicContact CD1-CG2 4.42Å; T510-V584 HydrophobicContact CG2-CG1 4.24Å; D580-V584 WeakPolarHBondContact O-CG1 3.27Å; D580-V584 PolarHBondContact O-N 2.68Å; N582-V584 PolarHBondContact O-N 3.41Å; V584-Y588 VanDerWaalsContact O-CB 3.24Å; V584-Y588 WeakPolarHBondContact O-CB 3.45Å; V584-Y588 PolarHBondContact O-N 2.89Å
585M98.4Very high98Very high71 Ų7167 Ų6735%0.3532%0.32SS..Hα-helixtrans-74-35.2176.1-70.2-55.9-52.200112.7L507 Y581 N582 R583 Y588 L589L507-M585 HydrophobicContact CD1-SD 3.77Å; Y581-M585 VanDerWaalsContact O-CB 3.27Å; Y581-M585 WeakPolarHBondContact O-CB 3.32Å; Y581-M585 WeakPolarHBondContact O-CG 3.47Å; Y581-M585 PolarHBondContact O-N 3.07Å; Y581-M585 VanDerWaalsContact O-N 3.12Å; N582-M585 PolarHBondContact O-N 2.9Å; R583-M585 VanDerWaalsContact C-N 3.34Å; R583-M585 PolarHBondContact O-N 3.24Å; M585-Y588 HydrophobicContact CE-CD1 4.29Å; M585-L589 WeakPolarHBondContact O-CB 3.32Å; M585-L589 VanDerWaalsContact O-CG 3.25Å; M585-L589 WeakPolarHBondContact O-CG 3.38Å; M585-L589 PolarHBondContact O-N 3.19Å
586Q98.4Very high98.1Very high105 Ų10570.1 Ų70.149%0.49132%0.321SS..Hα-helixtrans-58.4-55.1168.9-73.2179.720.900110.2N582 R583 Y588 L589 E590N582-Q586 WeakPolarHBondContact O-CG 3.48Å; N582-Q586 PolarHBondContact O-N 3.34Å; N582-Q586 PolarHBondContact OD1-NE2 3.08Å; R583-Q586 PolarHBondContact O-N 2.96Å; Q586-Y588 PolarHBondContact O-N 2.87Å; Q586-L589 PolarHBondContact O-N 2.87Å; Q586-E590 WeakPolarHBondContact O-CB 3.3Å; Q586-E590 WeakPolarHBondContact O-CG 3.43Å; Q586-E590 PolarHBondContact O-N 2.62Å
587Q97.6Very high98.2Very high59 Ų5975 Ų7528%0.27634%0.344SS..Hα-helixtrans-56.8-46.4179.7-177.2-177.8-14.700112.4R583 L589 E590 E591R583-Q587 PolarHBondContact O-N 3.38Å; Q587-L589 PolarHBondContact O-N 3.12Å; Q587-E590 PolarHBondContact O-N 2.84Å; Q587-E591 WeakPolarHBondContact O-CB 3.31Å; Q587-E591 WeakPolarHBondContact O-CG 3.48Å; Q587-E591 PolarHBondContact O-N 3.49Å
588Y98.6Very high98.3Very high41 Ų4175.2 Ų75.216%0.16135%0.352CS..Hα-helixtrans-59.6-46.7178.8178.1-94.5000111.9D503 L504 L507 V584 M585 Q586 Q592D503-Y588 HydrophobicContact CB-CD2 3.8Å; D503-Y588 HydrophobicContact CB-CE2 4.21Å; L504-Y588 HydrophobicContact CB-CE2 4.41Å; L504-Y588 HydrophobicContact CD1-CE2 4.26Å; L507-Y588 HydrophobicContact CB-CD2 4.31Å; L507-Y588 HydrophobicContact CD2-CD2 3.96Å; L507-Y588 HydrophobicContact CD2-CE2 4.12Å; L507-Y588 HydrophobicContact CD2-CG 4.26Å; V584-Y588 VanDerWaalsContact O-CB 3.24Å; V584-Y588 WeakPolarHBondContact O-CB 3.45Å; V584-Y588 PolarHBondContact O-N 2.89Å; M585-Y588 HydrophobicContact CE-CD1 4.29Å; Q586-Y588 PolarHBondContact O-N 2.87Å; Y588-Q592 HydrophobicContact CD1-CG 4.28Å; Y588-Q592 HydrophobicContact CE1-CG 3.87Å; Y588-Q592 HydrophobicContact CE2-CG 4.28Å; Y588-Q592 WeakPolarHBondContact O-CB 3.26Å; Y588-Q592 WeakPolarHBondContact O-CG 3.29Å; Y588-Q592 PolarHBondContact O-N 3.48Å
589L98.6Very high98.3Very high101 Ų10171.1 Ų71.153%0.52933%0.331SS..Hα-helixtrans-69.8-39.7-179.4-68.8172.4000112.2M585 Q586 Q587 Q592 V593M585-L589 WeakPolarHBondContact O-CB 3.32Å; M585-L589 VanDerWaalsContact O-CG 3.25Å; M585-L589 WeakPolarHBondContact O-CG 3.38Å; M585-L589 PolarHBondContact O-N 3.19Å; Q586-L589 PolarHBondContact O-N 2.87Å; Q587-L589 PolarHBondContact O-N 3.12Å; L589-Q592 PolarHBondContact O-N 3.27Å; L589-V593 WeakPolarHBondContact O-CG2 3.39Å; L589-V593 PolarHBondContact O-N 2.71Å
590E98.6Very high98.4Very high102 Ų10266.6 Ų66.648%0.47732%0.32SS..Hα-helixtrans-60.9-46.2175.9-75.7177.4-160.900112.4Q586 Q587 V593 K594Q586-E590 WeakPolarHBondContact O-CB 3.3Å; Q586-E590 WeakPolarHBondContact O-CG 3.43Å; Q586-E590 PolarHBondContact O-N 2.62Å; Q587-E590 PolarHBondContact O-N 2.84Å; E590-V593 PolarHBondContact O-N 2.92Å; E590-K594 WeakPolarHBondContact O-CD 3.45Å; E590-K594 VanDerWaalsContact O-CG 3.28Å; E590-K594 WeakPolarHBondContact O-CG 3.37Å; E590-K594 PolarHBondContact O-N 2.9Å; E590-K594 IonicContact OE2-NZ 2.58Å
591E98.5Very high98.4Very high46 Ų4667.1 Ų67.122%0.21533%0.329CS..Hα-helixtrans-69.2-34.5178.2-72-57.312900112.4Q499 D503 Q587 K594 F595Q499-E591 PolarHBondContact NE2-O 3.23Å; D503-E591 HydrophobicContact CB-CB 3.82Å; Q587-E591 WeakPolarHBondContact O-CB 3.31Å; Q587-E591 WeakPolarHBondContact O-CG 3.48Å; Q587-E591 PolarHBondContact O-N 3.49Å; E591-K594 PolarHBondContact O-N 3.01Å; E591-K594 VanDerWaalsContact OE1-CD 3.23Å; E591-K594 WeakPolarHBondContact OE1-CD 3.3Å; E591-K594 WeakPolarHBondContact OE1-CE 3.3Å; E591-K594 IonicContact OE1-NZ 3.83Å; E591-K594 PolarHBondContact OE1-NZ 3.02Å; E591-F595 VanDerWaalsContact O-CB 3.26Å; E591-F595 WeakPolarHBondContact O-CB 3.21Å; E591-F595 PolarHBondContact O-N 2.89Å
592Q98.6Very high98.4Very high28 Ų2867.3 Ų67.313%0.13133%0.331CS..Hα-helixtrans-63.8-42.3170.5-75.6-76.9-66.800112.2D503 Y588 L589 F595 Y596D503-Q592 PolarHBondContact OD2-NE2 3.27Å; Y588-Q592 HydrophobicContact CD1-CG 4.28Å; Y588-Q592 HydrophobicContact CE1-CG 3.87Å; Y588-Q592 HydrophobicContact CE2-CG 4.28Å; Y588-Q592 WeakPolarHBondContact O-CB 3.26Å; Y588-Q592 WeakPolarHBondContact O-CG 3.29Å; Y588-Q592 PolarHBondContact O-N 3.48Å; L589-Q592 PolarHBondContact O-N 3.27Å; Q592-F595 WeakPolarHBondContact O-CB 3.38Å; Q592-F595 PolarHBondContact O-N 3.11Å; Q592-Y596 WeakPolarHBondContact O-CD2 3.46Å; Q592-Y596 PolarHBondContact O-N 3.22Å; Q592-Y596 VanDerWaalsContact O-N 3.07Å
593V98.7Very high98.4Very high79 Ų7966.1 Ų66.148%0.47932%0.324SS..Hα-helixtrans-60.4-52.9174.31700000110.4L589 E590 F595 Y596 E597L589-V593 WeakPolarHBondContact O-CG2 3.39Å; L589-V593 PolarHBondContact O-N 2.71Å; E590-V593 PolarHBondContact O-N 2.92Å; V593-F595 PolarHBondContact O-N 2.96Å; V593-Y596 PolarHBondContact O-N 2.97Å; V593-E597 HydrophobicContact CG1-CG 4.23Å; V593-E597 WeakPolarHBondContact O-CB 3.41Å; V593-E597 WeakPolarHBondContact O-CG 3.16Å; V593-E597 PolarHBondContact O-N 2.93Å
594K98.7Very high98.5Very high89 Ų8968.7 Ų68.739%0.38733%0.334SS..Hα-helixtrans-54.5-39.7177.6-69.6159.7-175.7156.60112E590 E591 T598E590-K594 WeakPolarHBondContact O-CD 3.45Å; E590-K594 VanDerWaalsContact O-CG 3.28Å; E590-K594 WeakPolarHBondContact O-CG 3.37Å; E590-K594 PolarHBondContact O-N 2.9Å; E590-K594 IonicContact OE2-NZ 2.58Å; E591-K594 PolarHBondContact O-N 3.01Å; E591-K594 VanDerWaalsContact OE1-CD 3.23Å; E591-K594 WeakPolarHBondContact OE1-CD 3.3Å; E591-K594 WeakPolarHBondContact OE1-CE 3.3Å; E591-K594 IonicContact OE1-NZ 3.83Å; E591-K594 PolarHBondContact OE1-NZ 3.02Å; K594-T598 VanDerWaalsContact O-CB 3.29Å; K594-T598 WeakPolarHBondContact O-CB 3.29Å; K594-T598 PolarHBondContact O-N 2.83Å; K594-T598 PolarHBondContact O-OG1 2.79Å
595F98.7Very high98.4Very high21 Ų2174.7 Ų74.79%0.09236%0.362CS..Hα-helixtrans-63.3-52.9177.6170.6-110.6000112.8L495 V496 Q499 E591 Q592 V593 E597 T598 I599L495-F595 HydrophobicContact CB-CE2 4.35Å; V496-F595 HydrophobicContact CG2-CE2 4.36Å; V496-F595 HydrophobicContact CG2-CZ 3.89Å; Q499-F595 HydrophobicContact CB-CD2 3.84Å; Q499-F595 HydrophobicContact CB-CE2 3.69Å; Q499-F595 HydrophobicContact CB-CG 4.49Å; Q499-F595 HydrophobicContact CB-CZ 4.22Å; Q499-F595 VanDerWaalsContact CD-CD2 3.47Å; Q499-F595 HydrophobicContact CG-CB 4.17Å; Q499-F595 HydrophobicContact CG-CD1 4.18Å; Q499-F595 HydrophobicContact CG-CD2 3.52Å; Q499-F595 HydrophobicContact CG-CE1 4.44Å; Q499-F595 HydrophobicContact CG-CE2 3.82Å; Q499-F595 HydrophobicContact CG-CG 3.71Å; Q499-F595 HydrophobicContact CG-CZ 4.25Å; Q499-F595 VanDerWaalsContact OE1-CD2 3.28Å; E591-F595 VanDerWaalsContact O-CB 3.26Å; E591-F595 WeakPolarHBondContact O-CB 3.21Å; E591-F595 PolarHBondContact O-N 2.89Å; Q592-F595 WeakPolarHBondContact O-CB 3.38Å; Q592-F595 PolarHBondContact O-N 3.11Å; V593-F595 PolarHBondContact O-N 2.96Å; F595-E597 PolarHBondContact O-N 2.79Å; F595-T598 WeakPolarHBondContact O-CB 3.36Å; F595-T598 PolarHBondContact O-N 2.89Å; F595-I599 HydrophobicContact CD1-CD1 4.36Å; F595-I599 HydrophobicContact CD2-CD1 4.19Å; F595-I599 HydrophobicContact CE1-CD1 3.82Å; F595-I599 HydrophobicContact CE2-CD1 3.63Å; F595-I599 HydrophobicContact CE2-CG1 4.43Å; F595-I599 HydrophobicContact CZ-CD1 3.44Å; F595-I599 VanDerWaalsContact CZ-CD1 3.44Å; F595-I599 PolarHBondContact O-N 3.35Å
596Y98.8Very high98.3Very high141 Ų14171.6 Ų71.655%0.55335%0.347SS*.Hα-helixtrans-67.1-36.3179.6-73-64.2000112.4Q592 V593 I599 A600Q592-Y596 WeakPolarHBondContact O-CD2 3.46Å; Q592-Y596 PolarHBondContact O-N 3.22Å; Q592-Y596 VanDerWaalsContact O-N 3.07Å; V593-Y596 PolarHBondContact O-N 2.97Å; Y596-I599 PolarHBondContact O-N 2.95Å; Y596-A600 WeakPolarHBondContact O-CB 3.38Å; Y596-A600 PolarHBondContact O-N 2.73Å
597E98.7Very high98.2Very high124 Ų12473.4 Ų73.458%0.57936%0.355SS*.Hα-helixtrans-62.7-40.6172.3-72.8-174151.300112.4V593 F595 A600 G601V593-E597 HydrophobicContact CG1-CG 4.23Å; V593-E597 WeakPolarHBondContact O-CB 3.41Å; V593-E597 WeakPolarHBondContact O-CG 3.16Å; V593-E597 PolarHBondContact O-N 2.93Å; F595-E597 PolarHBondContact O-N 2.79Å; E597-A600 PolarHBondContact O-N 3.12Å; E597-G601 PolarHBondContact O-N 3.16Å
598T98.6Very high98Very high69 Ų6973.6 Ų73.642%0.42337%0.373SS..Hα-helixtrans-63.4-44.8176.3-620000111.5L495 K594 F595 G601 K602L495-T598 HydrophobicContact CD1-CG2 3.89Å; K594-T598 VanDerWaalsContact O-CB 3.29Å; K594-T598 WeakPolarHBondContact O-CB 3.29Å; K594-T598 PolarHBondContact O-N 2.83Å; K594-T598 PolarHBondContact O-OG1 2.79Å; F595-T598 WeakPolarHBondContact O-CB 3.36Å; F595-T598 PolarHBondContact O-N 2.89Å; T598-G601 PolarHBondContact O-N 2.94Å; T598-K602 PolarHBondContact O-N 2.89Å
599I98.6Very high97.8Very high19 Ų1975.5 Ų75.510%0.09738%0.384CS..Hα-helixtrans-62-46.3175-70.4175.5000110.5I492 L495 V496 F595 Y596 G601 K602 L603I492-I599 HydrophobicContact CD1-CG2 4.2Å; I492-I599 HydrophobicContact CG1-CG2 4.39Å; I492-I599 HydrophobicContact CG2-CD1 4.22Å; I492-I599 HydrophobicContact CG2-CG1 4.34Å; I492-I599 HydrophobicContact CG2-CG2 4.42Å; L495-I599 HydrophobicContact CD1-CG1 4.46Å; V496-I599 HydrophobicContact CG2-CD1 4.45Å; F595-I599 HydrophobicContact CD1-CD1 4.36Å; F595-I599 HydrophobicContact CD2-CD1 4.19Å; F595-I599 HydrophobicContact CE1-CD1 3.82Å; F595-I599 HydrophobicContact CE2-CD1 3.63Å; F595-I599 HydrophobicContact CE2-CG1 4.43Å; F595-I599 HydrophobicContact CZ-CD1 3.44Å; F595-I599 VanDerWaalsContact CZ-CD1 3.44Å; F595-I599 PolarHBondContact O-N 3.35Å; Y596-I599 PolarHBondContact O-N 2.95Å; I599-G601 VanDerWaalsContact C-N 3.3Å; I599-G601 PolarHBondContact O-N 2.79Å; I599-K602 PolarHBondContact O-N 3.19Å; I599-L603 HydrophobicContact CG2-CD1 3.95Å; I599-L603 HydrophobicContact CG2-CG 4.42Å; I599-L603 WeakPolarHBondContact O-CG 3.38Å; I599-L603 PolarHBondContact O-N 3.02Å
600A98.7Very high97.6Very high33 Ų3374.4 Ų74.427%0.27338%0.375SS..Hα-helixtrans-62.1-37.1177.400000112.2Y596 E597 R604Y596-A600 WeakPolarHBondContact O-CB 3.38Å; Y596-A600 PolarHBondContact O-N 2.73Å; E597-A600 PolarHBondContact O-N 3.12Å; A600-R604 WeakPolarHBondContact O-CB 3.48Å; A600-R604 VanDerWaalsContact O-CG 3.3Å; A600-R604 WeakPolarHBondContact O-CG 3.22Å; A600-R604 PolarHBondContact O-N 3.1Å
601G98.4Very high96.8Very high27 Ų2773.9 Ų73.928%0.27838%0.379SS..Hα-helixtrans-60.7-47.9172.600000112.7E597 T598 I599 R604 Q605E597-G601 PolarHBondContact O-N 3.16Å; T598-G601 PolarHBondContact O-N 2.94Å; I599-G601 VanDerWaalsContact C-N 3.3Å; I599-G601 PolarHBondContact O-N 2.79Å; G601-R604 PolarHBondContact O-N 2.56Å; G601-Q605 PolarHBondContact O-N 3.28Å
602K98.2Very high95.3Very high49 Ų4978.7 Ų78.721%0.21341%0.411CS..Hα-helixtrans-60.7-45.7175.5-78.6-170.4176.2-65.80112.6T488 E491 I492 L495 T598 I599 R604 Q605 A606T488-K602 HydrophobicContact CG2-CB 3.87Å; E491-K602 HydrophobicContact CB-CD 4.38Å; E491-K602 IonicContact OE2-NZ 2.65Å; E491-K602 PolarHBondContact OE2-NZ 2.99Å; I492-K602 HydrophobicContact CG1-CD 4.37Å; L495-K602 HydrophobicContact CD1-CD 3.79Å; T598-K602 PolarHBondContact O-N 2.89Å; I599-K602 PolarHBondContact O-N 3.19Å; K602-R604 PolarHBondContact O-N 2.92Å; K602-Q605 WeakPolarHBondContact O-CB 3.41Å; K602-Q605 PolarHBondContact O-N 2.94Å; K602-A606 PolarHBondContact O-N 3.07Å
603L98.4Very high93.2Very high65 Ų6588.3 Ų88.334%0.3446%0.459SS..Hα-helixtrans-63.7-39.5177.2-68.9173.1000112.2Y489 I492 I599 Q605 A606 H607Y489-L603 HydrophobicContact CE2-CD2 4.14Å; I492-L603 HydrophobicContact CD1-CD2 3.65Å; I492-L603 HydrophobicContact CD1-CG 3.88Å; I599-L603 HydrophobicContact CG2-CD1 3.95Å; I599-L603 HydrophobicContact CG2-CG 4.42Å; I599-L603 WeakPolarHBondContact O-CG 3.38Å; I599-L603 PolarHBondContact O-N 3.02Å; L603-Q605 VanDerWaalsContact C-N 3.34Å; L603-Q605 PolarHBondContact O-N 3.46Å; L603-A606 PolarHBondContact O-N 3.14Å; L603-H607 WeakPolarHBondContact O-CB 3.16Å; L603-H607 PolarHBondContact O-N 2.97Å
604R97.9Very high93Very high166 Ų16688.8 Ų88.863%0.62646%0.458SS*.Hα-helixtrans-61.9-39.8172.6-76.6-178.6-121.9121.6-3.5112.3A600 G601 K602 H607 G608A600-R604 WeakPolarHBondContact O-CB 3.48Å; A600-R604 VanDerWaalsContact O-CG 3.3Å; A600-R604 WeakPolarHBondContact O-CG 3.22Å; A600-R604 PolarHBondContact O-N 3.1Å; G601-R604 PolarHBondContact O-N 2.56Å; K602-R604 PolarHBondContact O-N 2.92Å; R604-H607 PolarHBondContact O-N 3.4Å; R604-G608 PolarHBondContact O-N 3Å
605Q96.6Very high92.7Very high134 Ų13488.7 Ų88.763%0.62646%0.462SS*.Hα-helixtrans-64.6-42.4176.6-173.4-177.86.100112.1G601 K602 L603G601-Q605 PolarHBondContact O-N 3.28Å; K602-Q605 WeakPolarHBondContact O-CB 3.41Å; K602-Q605 PolarHBondContact O-N 2.94Å; L603-Q605 VanDerWaalsContact C-N 3.34Å; L603-Q605 PolarHBondContact O-N 3.46Å
606A96.6Very high92.3Very high6 Ų692.5 Ų92.55%0.0548%0.482CS..Hα-helixtrans-66.4-44.5175.100000112.1A485 T488 K602 L603 G608 Q609A485-A606 HydrophobicContact CB-CB 4.45Å; T488-A606 HydrophobicContact CG2-CB 4.08Å; K602-A606 PolarHBondContact O-N 3.07Å; L603-A606 PolarHBondContact O-N 3.14Å; A606-G608 VanDerWaalsContact C-N 3.29Å; A606-G608 PolarHBondContact O-N 3.36Å; A606-Q609 WeakPolarHBondContact O-CB 3.27Å; A606-Q609 PolarHBondContact O-N 3.25Å; A606-Q609 VanDerWaalsContact O-N 3.13Å
607H95.9Very high91.9Very high142 Ų14289.6 Ų89.666%0.65748%0.478SS*.Hα-helixtrans-57-41.7176.1177.6-85.3000112L603 R604 Q609 F610L603-H607 WeakPolarHBondContact O-CB 3.16Å; L603-H607 PolarHBondContact O-N 2.97Å; R604-H607 PolarHBondContact O-N 3.4Å; H607-Q609 PolarHBondContact O-N 3.43Å; H607-F610 PolarHBondContact O-N 3.15Å
608G94.6Very high91.5Very high63 Ų6387.5 Ų87.565%0.64947%0.472SS*.THydrogen-bonded Turntrans-63-8.1178.500000115.8R604 A606R604-G608 PolarHBondContact O-N 3Å; A606-G608 VanDerWaalsContact C-N 3.29Å; A606-G608 PolarHBondContact O-N 3.36Å
609Q93.7Very high91.1Very high81 Ų8188.7 Ų88.738%0.37948%0.475SS..THydrogen-bonded Turntrans-86.6-18.7173.8-54.9-168.824.600113A481 A606 H607 T611A481-Q609 HydrophobicContact CB-CB 3.97Å; A606-Q609 WeakPolarHBondContact O-CB 3.27Å; A606-Q609 PolarHBondContact O-N 3.25Å; A606-Q609 VanDerWaalsContact O-N 3.13Å; H607-Q609 PolarHBondContact O-N 3.43Å; Q609-T611 PolarHBondContact O-N 2.87Å
610F93.7Very high90.5Very high79 Ų7993.7 Ų93.735%0.34650%0.502SS..SBendtrans-81.7105.5174.7-67.3-91000109.3L478 A481 L482 A485 H607 T612L478-F610 HydrophobicContact CD1-CD1 4.29Å; L478-F610 HydrophobicContact CD1-CE1 4.07Å; A481-F610 HydrophobicContact CB-CD1 3.93Å; A481-F610 HydrophobicContact CB-CD2 4.14Å; A481-F610 HydrophobicContact CB-CE1 3.79Å; A481-F610 HydrophobicContact CB-CE2 4Å; A481-F610 HydrophobicContact CB-CG 4.11Å; A481-F610 HydrophobicContact CB-CZ 3.82Å; L482-F610 HydrophobicContact CD2-CE1 4.24Å; L482-F610 HydrophobicContact CD2-CZ 4.21Å; L482-F610 HydrophobicContact CG-CE1 4.22Å; L482-F610 HydrophobicContact CG-CZ 4.38Å; A485-F610 HydrophobicContact CB-CE2 4.11Å; A485-F610 HydrophobicContact CB-CZ 4.26Å; H607-F610 PolarHBondContact O-N 3.15Å; F610-T612 PolarHBondContact O-N 3.49Å
611T82.1Confident89.9Confident91 Ų9198.4 Ų98.456%0.55852%0.519SS*.  trans-67.4127.2171.450.70000110.3T477 Q609 M613T477-T611 HydrophobicContact CG2-CG2 4.15Å; Q609-T611 PolarHBondContact O-N 2.87Å; T611-M613 PolarHBondContact O-N 2.85Å
612T66.8Low89.2Confident146 Ų146104.3 Ų104.390%0.89654%0.54SS*.  trans-60.7124.8166.2-36.20000109.1F610F610-T612 PolarHBondContact O-N 3.49Å
613M55.6Low88.4Confident230 Ų230109.4 Ų109.4100%1.13357%0.569SS**  trans-87.20174.7-68.7-17417400111.7T611T611-M613 PolarHBondContact O-N 2.85Å

Retrieved 613 of 613 residues in 179.2 ms (Link to these results)

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