A0A059UIG5_CAMDR Loading...

Aldo-keto reductase family 1 member B1

AlphaFold DB , UniProt , Accession A0A059UIG5, Species CAMDR (Camelus dromedarius, Dromedary), Gene n/a, Length 316 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
1M61.3Low91.3Very high118 Ų11861.9 Ų61.958%0.58138%0.378SS*.  0145.20-166.5174.8-80.700108.5I15 R251 L254 Q255M1-I15 HydrophobicContact SD-CD1 4.37Å; M1-R251 PolarHBondContact SD-NH1 2.89Å; M1-L254 HydrophobicContact SD-CB 4.27Å; M1-Q255 HydrophobicContact CE-CB 4.41Å; M1-Q255 HydrophobicContact CE-CG 3.36Å
2A77.9Confident91.8Very high63 Ų6368.3 Ų68.352%0.52140%0.397SS..  trans-62.9140.1176.200000110.1H4 I15A2-H4 VanDerWaalsContact C-N 3.25Å; A2-I15 WeakPolarHBondContact O-CD1 3.44Å
3S91Very high92.4Very high78 Ų7863 Ų6355%0.54537%0.366SS..SBendtrans-81-6.117755.30000113.5P14 I15S3-P14 WeakPolarHBondContact O-CA 3.49Å; S3-I15 PolarHBondContact O-N 2.95Å; S3-I15 VanDerWaalsContact O-N 3.1Å
4H97.2Very high92.8Very high58 Ų5860.1 Ų60.127%0.26935%0.35SS..EExtended strand (participates in β ladder)trans-148.9158.6-176.160.2-81.7000110.8A2 K12 M13A2-H4 VanDerWaalsContact C-N 3.25Å; H4-K12 HydrophobicContact CB-CB 4.27Å; H4-K12 WeakPolarHBondContact NE2-CD 3.48Å; H4-M13 CarbonylContact C-O 3.52Å; H4-M13 WeakPolarHBondContact CA-O 3.17Å; H4-M13 WeakPolarHBondContact CB-O 3.24Å
5I96.9Very high93.2Very high36 Ų3656.5 Ų56.519%0.18533%0.329CS..EExtended strand (participates in β ladder)trans-109.8144.4166-71.8165.1000108K12 M13 I15 V206 I259I5-K12 CarbonylContact O-C 3.53Å; I5-M13 PolarHBondContact N-O 2.64Å; I5-M13 PolarHBondContact O-N 2.66Å; I5-I15 HydrophobicContact CB-CG2 4.34Å; I5-I15 HydrophobicContact CD1-CG2 3.8Å; I5-I15 HydrophobicContact CG1-CG2 3.61Å; I5-V206 HydrophobicContact CD1-CG1 4.3Å; I5-V206 HydrophobicContact CG2-CG1 4.31Å; I5-V206 HydrophobicContact CG2-CG2 3.63Å; I5-I259 HydrophobicContact CD1-CG1 4.14Å
6V97.5Very high93.5Very high85 Ų8553.4 Ų53.452%0.51531%0.311SS..EExtended strand (participates in β ladder)trans-89.8118175-1750000108.4A11 K12V6-A11 WeakPolarHBondContact CA-O 3.4Å; V6-K12 HydrophobicContact CG2-CG 4.36Å
7L98Very high93.8Very high4 Ų450.2 Ų50.22%0.02129%0.292CS..  trans-70.1161.6172.7-57-177.1000109.9T9 G10 A11 M13 F74 A156 A181 V182 V206L7-T9 PolarHBondContact O-N 2.69Å; L7-G10 PolarHBondContact O-N 3.49Å; L7-A11 HydrophobicContact CD1-CB 4.33Å; L7-A11 PolarHBondContact N-O 3.32Å; L7-M13 HydrophobicContact CD1-CB 4.3Å; L7-M13 HydrophobicContact CD1-SD 4.28Å; L7-M13 HydrophobicContact CD2-CB 4.22Å; L7-M13 HydrophobicContact CD2-SD 4.2Å; L7-M13 HydrophobicContact CG-CB 4.14Å; L7-F74 HydrophobicContact CD1-CE2 4.46Å; L7-F74 HydrophobicContact CD1-CZ 4.04Å; L7-A156 HydrophobicContact CD1-CB 4.34Å; L7-A181 HydrophobicContact CD1-CB 4.23Å; L7-V182 HydrophobicContact CD2-CG2 3.98Å; L7-V206 HydrophobicContact CD2-CB 4.02Å; L7-V206 HydrophobicContact CD2-CG2 3.74Å
8Y96.4Very high94.1Very high100 Ų10047.6 Ų47.639%0.39228%0.277SS..THydrogen-bonded Turntrans-60-20.9176.683.3-96.2000112.8G10 K179 A181Y8-G10 PolarHBondContact O-N 2.98Å; Y8-K179 HydrophobicContact CE1-CB 4.21Å; Y8-K179 WeakPolarHBondContact CE1-O 3.5Å; Y8-K179 VanDerWaalsContact CZ-O 3.29Å; Y8-K179 PolarHBondContact OH-N 2.99Å; Y8-K179 PolarHBondContact OH-O 3.06Å; Y8-A181 HydrophobicContact CD1-CB 4.04Å; Y8-A181 HydrophobicContact CE1-CB 3.66Å
9T94.8Very high94.4Very high58 Ų5845.4 Ų45.436%0.35627%0.265SS..THydrogen-bonded Turntrans-73.3-6.9174.360.90000113.3L7 A11 A156L7-T9 PolarHBondContact O-N 2.69Å; T9-A11 VanDerWaalsContact C-N 3.26Å; T9-A11 PolarHBondContact O-N 3.36Å; T9-A11 WeakPolarHBondContact OG1-CB 3.4Å; T9-A11 PolarHBondContact OG1-N 3.47Å; T9-A156 HydrophobicContact CG2-CB 4.25Å
10G96.7Very high94.5Very high51 Ų5143.1 Ų43.153%0.52625%0.252SS..SBendtrans84.4-8.3-172.600000114.1L7 Y8L7-G10 PolarHBondContact O-N 3.49Å; Y8-G10 PolarHBondContact O-N 2.98Å
11A96.1Very high94.6Very high30 Ų3044.5 Ų44.525%0.24825%0.253CS..  trans-66.2140.217700000111.5V6 L7 T9 F74V6-A11 WeakPolarHBondContact CA-O 3.4Å; L7-A11 HydrophobicContact CD1-CB 4.33Å; L7-A11 PolarHBondContact N-O 3.32Å; T9-A11 VanDerWaalsContact C-N 3.26Å; T9-A11 PolarHBondContact O-N 3.36Å; T9-A11 WeakPolarHBondContact OG1-CB 3.4Å; T9-A11 PolarHBondContact OG1-N 3.47Å; A11-F74 HydrophobicContact CB-CE2 4.47Å
12K98.1Very high96.1Very high138 Ų13842 Ų4260%0.624%0.239SC*.EExtended strand (participates in β ladder)trans-94.4102.3176.7-68.4179174.6178.70109.4H4 I5 V6H4-K12 HydrophobicContact CB-CB 4.27Å; H4-K12 WeakPolarHBondContact NE2-CD 3.48Å; I5-K12 CarbonylContact O-C 3.53Å; V6-K12 HydrophobicContact CG2-CG 4.36Å
13M98.6Very high96.6Very high0 Ų039.3 Ų39.30%022%0.216CC..EExtended strand (participates in β ladder)trans-91119.7179.9-168.6171.9175.800110.4H4 I5 L7 I15 H42 F74 V76 L107 V182 I259H4-M13 CarbonylContact C-O 3.52Å; H4-M13 WeakPolarHBondContact CA-O 3.17Å; H4-M13 WeakPolarHBondContact CB-O 3.24Å; I5-M13 PolarHBondContact N-O 2.64Å; I5-M13 PolarHBondContact O-N 2.66Å; L7-M13 HydrophobicContact CD1-CB 4.3Å; L7-M13 HydrophobicContact CD1-SD 4.28Å; L7-M13 HydrophobicContact CD2-CB 4.22Å; L7-M13 HydrophobicContact CD2-SD 4.2Å; L7-M13 HydrophobicContact CG-CB 4.14Å; M13-I15 PolarHBondContact O-N 2.75Å; M13-H42 VanDerWaalsContact CE-CE1 3.44Å; M13-H42 WeakPolarHBondContact CE-CE1 2.93Å; M13-F74 HydrophobicContact CB-CD2 4.2Å; M13-F74 HydrophobicContact CB-CE1 4.4Å; M13-F74 HydrophobicContact CB-CE2 3.78Å; M13-F74 HydrophobicContact CB-CZ 3.9Å; M13-F74 HydrophobicContact CE-CD1 4.19Å; M13-F74 HydrophobicContact CE-CE1 3.72Å; M13-F74 HydrophobicContact CE-CZ 4.42Å; M13-F74 HydrophobicContact CG-CD1 3.85Å; M13-F74 HydrophobicContact CG-CD2 4.11Å; M13-F74 HydrophobicContact CG-CE1 3.56Å; M13-F74 HydrophobicContact CG-CE2 3.83Å; M13-F74 HydrophobicContact CG-CG 4.13Å; M13-F74 HydrophobicContact CG-CZ 3.56Å; M13-F74 HydrophobicContact SD-CD1 4.43Å; M13-F74 HydrophobicContact SD-CE1 3.67Å; M13-F74 HydrophobicContact SD-CZ 3.75Å; M13-V76 HydrophobicContact CE-CG2 4.02Å; M13-L107 HydrophobicContact CE-CD2 3.78Å; M13-L107 HydrophobicContact SD-CD2 4.09Å; M13-V182 HydrophobicContact SD-CG2 3.91Å; M13-I259 HydrophobicContact CB-CD1 3.99Å; M13-I259 HydrophobicContact CE-CD1 3.72Å; M13-I259 HydrophobicContact CE-CG2 4.34Å; M13-I259 HydrophobicContact CG-CD1 3.52Å; M13-I259 HydrophobicContact SD-CD1 3.26Å; M13-I259 WeakPolarHBondContact SD-CD1 3.32Å
14P98.7Very high96.3Very high22 Ų2238.4 Ų38.414%0.14321%0.208CC..EExtended strand (participates in β ladder)trans-60.6132.9177.9-21.632.3000111.7S3 L16 R41 H42 F74S3-P14 WeakPolarHBondContact O-CA 3.49Å; P14-L16 PolarHBondContact O-N 2.64Å; P14-R41 HydrophobicContact CG-CB 4.04Å; P14-H42 HydrophobicContact CB-CB 3.77Å; P14-H42 HydrophobicContact CG-CB 3.92Å; P14-H42 PolarHBondContact O-ND1 3.37Å; P14-H42 VanDerWaalsContact O-ND1 3.11Å; P14-F74 HydrophobicContact CG-CB 4.08Å
15I98.6Very high95.5Very high7 Ų740.3 Ų40.34%0.03623%0.226CC..SBendtrans-73.3-17.3-172.962.4175.6000113.7M1 A2 S3 I5 M13 L254 I259 V260 F277M1-I15 HydrophobicContact SD-CD1 4.37Å; A2-I15 WeakPolarHBondContact O-CD1 3.44Å; S3-I15 PolarHBondContact O-N 2.95Å; S3-I15 VanDerWaalsContact O-N 3.1Å; I5-I15 HydrophobicContact CB-CG2 4.34Å; I5-I15 HydrophobicContact CD1-CG2 3.8Å; I5-I15 HydrophobicContact CG1-CG2 3.61Å; M13-I15 PolarHBondContact O-N 2.75Å; I15-L254 HydrophobicContact CB-CD2 3.77Å; I15-L254 HydrophobicContact CD1-CD2 3.87Å; I15-L254 HydrophobicContact CG1-CD2 3.78Å; I15-L254 WeakPolarHBondContact O-CD2 3.42Å; I15-I259 CarbonylContact O-C 3.57Å; I15-I259 VanDerWaalsContact O-CA 3.29Å; I15-I259 WeakPolarHBondContact O-CA 3.49Å; I15-I259 WeakPolarHBondContact O-CG2 3.36Å; I15-V260 PolarHBondContact O-N 3.02Å; I15-F277 HydrophobicContact CD1-CE1 3.91Å; I15-F277 HydrophobicContact CG1-CE1 4.14Å; I15-F277 HydrophobicContact CG1-CZ 4.49Å
16L98.8Very high94.9Very high6 Ų641.6 Ų41.63%0.03125%0.248CC..BIsolated β-bridgetrans-120.6122.5175.417862000109.1P14 Y40 I250 V260 P262 F274 V276 F277P14-L16 PolarHBondContact O-N 2.64Å; L16-Y40 HydrophobicContact CD1-CE1 4.15Å; L16-Y40 HydrophobicContact CD2-CE1 4.01Å; L16-Y40 HydrophobicContact CG-CD1 4.31Å; L16-Y40 HydrophobicContact CG-CE1 3.66Å; L16-I250 HydrophobicContact CD1-CG2 3.95Å; L16-V260 WeakPolarHBondContact CA-O 3.41Å; L16-V260 HydrophobicContact CD1-CG1 3.51Å; L16-P262 HydrophobicContact CD1-CG 3.85Å; L16-F274 HydrophobicContact CD2-CD2 3.57Å; L16-F274 HydrophobicContact CD2-CE2 4.13Å; L16-F274 HydrophobicContact CD2-CG 4.39Å; L16-F274 HydrophobicContact CG-CD2 4.46Å; L16-V276 HydrophobicContact CD2-CG2 3.9Å; L16-F277 HydrophobicContact CB-CZ 3.97Å; L16-F277 HydrophobicContact CD2-CE2 3.92Å; L16-F277 HydrophobicContact CD2-CZ 4.04Å
17G98.8Very high94.7Very high0 Ų043.3 Ų43.30%025%0.248CC..  trans-123.8170174.100000113H42 V260 I261 P262G17-H42 CarbonylContact C-O 3.52Å; G17-H42 WeakPolarHBondContact CA-O 3.38Å; G17-V260 PolarHBondContact N-O 2.81Å; G17-I261 WeakPolarHBondContact O-CA 3.43Å; G17-P262 WeakPolarHBondContact O-CD 3.43Å
18L98.9Very high94.7Very high3 Ų343.1 Ų43.12%0.01625%0.247CC..EExtended strand (participates in β ladder)trans-97.4119.9172-177.473.7000109.6V32 A35 Y40 H42 I43 D44 I270L18-V32 HydrophobicContact CD2-CG2 4Å; L18-A35 HydrophobicContact CB-CB 4.38Å; L18-A35 HydrophobicContact CD2-CB 3.77Å; L18-A35 HydrophobicContact CG-CB 4.46Å; L18-Y40 HydrophobicContact CB-CD1 4.26Å; L18-H42 PolarHBondContact N-O 2.82Å; L18-I43 HydrophobicContact CB-CD1 3.97Å; L18-I43 HydrophobicContact CD2-CD1 4.45Å; L18-D44 PolarHBondContact O-N 2.92Å; L18-I270 HydrophobicContact CD1-CG1 4.42Å
19G98.5Very high94.8Very high5 Ų539.8 Ų39.85%0.05224%0.237CC..EExtended strand (participates in β ladder)trans-75.8144.516900000111.8P262 K263G19-P262 PolarHBondContact N-O 3.49Å; G19-K263 WeakPolarHBondContact O-CA 3.41Å; G19-K263 VanDerWaalsContact O-CB 3.28Å; G19-K263 WeakPolarHBondContact O-CB 3.39Å; G19-K263 WeakPolarHBondContact O-CG 3.45Å
20T98.1Very high95Very high0 Ų041.8 Ų41.80%024%0.243CC..  trans-118.3-2.4-176.862.30000114.7K22 S23 V28 V32 I43 D44 N51 V55T20-K22 PolarHBondContact O-N 2.86Å; T20-S23 VanDerWaalsContact O-CB 3.32Å; T20-S23 WeakPolarHBondContact O-CB 3.34Å; T20-S23 PolarHBondContact O-N 2.95Å; T20-S23 VanDerWaalsContact O-N 3.11Å; T20-S23 PolarHBondContact O-OG 3.2Å; T20-V28 HydrophobicContact CG2-CG2 4.09Å; T20-V32 HydrophobicContact CG2-CG2 4.41Å; T20-I43 HydrophobicContact CG2-CG2 3.86Å; T20-D44 WeakPolarHBondContact CB-O 3.39Å; T20-D44 WeakPolarHBondContact CG2-O 3.48Å; T20-D44 PolarHBondContact N-O 2.84Å; T20-D44 PolarHBondContact OG1-O 2.86Å; T20-N51 PolarHBondContact O-ND2 3.46Å; T20-V55 HydrophobicContact CG2-CG2 3.93Å
21W95.8Very high95Very high73 Ų7339.5 Ų39.528%0.27722%0.219SC..THydrogen-bonded Turntrans-59.6132.317718048.6000111.7S23 Y49 S215 W220 K263W21-S23 PolarHBondContact O-N 2.73Å; W21-Y49 HydrophobicContact CB-CD1 4.09Å; W21-Y49 HydrophobicContact CB-CD2 4Å; W21-Y49 HydrophobicContact CB-CE1 3.94Å; W21-Y49 HydrophobicContact CB-CE2 3.84Å; W21-Y49 HydrophobicContact CB-CG 4.15Å; W21-Y49 AromaticContact CD1-CD1 3.41Å; W21-Y49 VanDerWaalsContact CD1-CD1 3.41Å; W21-Y49 AromaticContact CD1-CE1 3.65Å; W21-Y49 HydrophobicContact CG-CD1 4.03Å; W21-Y49 AromaticContact CG-CE1 3.93Å; W21-Y49 HydrophobicContact CG-CE1 3.93Å; W21-Y49 HydrophobicContact CG-CG 4.48Å; W21-S215 WeakPolarHBondContact CZ3-OG 3.16Å; W21-W220 AromaticContact CH2-CH2 3.63Å; W21-W220 HydrophobicContact CH2-CH2 3.63Å; W21-W220 AromaticContact CH2-CZ2 3.9Å; W21-W220 HydrophobicContact CH2-CZ2 3.9Å; W21-W220 AromaticContact CZ2-CH2 3.75Å; W21-W220 HydrophobicContact CZ2-CH2 3.75Å; W21-W220 HydrophobicContact CZ2-CZ2 4.47Å; W21-W220 HydrophobicContact CZ2-CZ3 4.4Å; W21-K263 WeakPolarHBondContact O-CD 3.49Å; W21-K263 WeakPolarHBondContact O-CE 3.1Å
22K92.8Very high95.2Very high66 Ų6638.1 Ų38.129%0.28721%0.207SC..THydrogen-bonded Turntrans6017.5-175.9-45.2-141.9-51.6125.70115.2T20 P24 D217 P219 K263T20-K22 PolarHBondContact O-N 2.86Å; K22-P24 VanDerWaalsContact O-CD 3.26Å; K22-P24 WeakPolarHBondContact O-CD 3.32Å; K22-D217 WeakPolarHBondContact CE-O 3.21Å; K22-D217 WeakPolarHBondContact CE-OD2 3.43Å; K22-D217 PolarHBondContact NZ-O 3.03Å; K22-D217 IonicContact NZ-OD2 3.68Å; K22-P219 HydrophobicContact CD-CG 4.13Å; K22-K263 PolarHBondContact O-NZ 3.36Å
23S88.8Confident95.2Very high5 Ų532.9 Ų32.94%0.03519%0.185CC..  trans-72.5114.4165.4-64.30000107.4T20 W21 N51 K263 V265T20-S23 VanDerWaalsContact O-CB 3.32Å; T20-S23 WeakPolarHBondContact O-CB 3.34Å; T20-S23 PolarHBondContact O-N 2.95Å; T20-S23 VanDerWaalsContact O-N 3.11Å; T20-S23 PolarHBondContact O-OG 3.2Å; W21-S23 PolarHBondContact O-N 2.73Å; S23-N51 PolarHBondContact O-ND2 2.75Å; S23-N51 VanDerWaalsContact O-ND2 3.08Å; S23-K263 WeakPolarHBondContact OG-CE 3.27Å; S23-V265 VanDerWaalsContact CB-CG1 3.47Å; S23-V265 VanDerWaalsContact OG-CG1 3.27Å; S23-V265 WeakPolarHBondContact OG-CG1 3.45Å
24P84.5Confident95.2Very high59 Ų5933.9 Ų33.938%0.38319%0.19SC..  trans-61.9149.8-173.4-22.734000111.8K22 G26 K27 V28K22-P24 VanDerWaalsContact O-CD 3.26Å; K22-P24 WeakPolarHBondContact O-CD 3.32Å; P24-G26 PolarHBondContact O-N 2.81Å; P24-K27 HydrophobicContact CG-CD 4.42Å; P24-K27 PolarHBondContact O-N 3.09Å; P24-V28 PolarHBondContact O-N 2.94Å
25P79.4Confident95.2Very high99 Ų9932.8 Ų32.864%0.64318%0.184SC*.THydrogen-bonded Turntrans-49.9138.7166.4-27.135.6000111.5K27 E54P25-K27 VanDerWaalsContact C-N 3.25Å; P25-K27 PolarHBondContact O-N 3.35Å; P25-E54 WeakPolarHBondContact CA-OE1 3.36Å; P25-E54 WeakPolarHBondContact CA-OE2 3.17Å; P25-E54 WeakPolarHBondContact CB-OE1 3.32Å
26G84.8Confident95.2Very high62 Ų6232.5 Ų32.564%0.63918%0.182SC*.THydrogen-bonded Turntrans78.7-4.1-176.500000115.3P24 E54P24-G26 PolarHBondContact O-N 2.81Å; G26-E54 VanDerWaalsContact N-CD 3.26Å; G26-E54 PolarHBondContact N-OE1 3.19Å; G26-E54 PolarHBondContact N-OE2 2.94Å
27K94.8Very high95.2Very high121 Ų12136.3 Ų36.353%0.52620%0.202SC..THydrogen-bonded Turntrans-114.3-27.7173.2-66.6-168.1177.1-172.90113.5P24 P25 A31 V265P24-K27 HydrophobicContact CG-CD 4.42Å; P24-K27 PolarHBondContact O-N 3.09Å; P25-K27 VanDerWaalsContact C-N 3.25Å; P25-K27 PolarHBondContact O-N 3.35Å; K27-A31 WeakPolarHBondContact O-CB 3.34Å; K27-A31 PolarHBondContact O-N 3.25Å; K27-A31 VanDerWaalsContact O-N 3.11Å; K27-V265 HydrophobicContact CB-CB 4.29Å; K27-V265 HydrophobicContact CB-CG1 4.42Å; K27-V265 HydrophobicContact CD-CG2 4.31Å
28V96.9Very high95.2Very high1 Ų139.7 Ų39.71%0.00622%0.22CC..Hα-helixtrans-70.9-32.2-174.968.10000112.4T20 P24 E30 A31 V32 N51 E54 V55T20-V28 HydrophobicContact CG2-CG2 4.09Å; P24-V28 PolarHBondContact O-N 2.94Å; V28-E30 PolarHBondContact O-N 3.11Å; V28-A31 PolarHBondContact O-N 3.16Å; V28-V32 HydrophobicContact CG2-CG2 4.12Å; V28-V32 WeakPolarHBondContact O-CG2 3.33Å; V28-V32 PolarHBondContact O-N 3.3Å; V28-N51 HydrophobicContact CG1-CB 3.88Å; V28-E54 HydrophobicContact CG1-CB 3.4Å; V28-E54 VanDerWaalsContact CG1-CB 3.4Å; V28-E54 HydrophobicContact CG1-CG 4.3Å; V28-E54 WeakPolarHBondContact CG1-OE2 3.48Å; V28-V55 HydrophobicContact CG1-CG2 4.48Å; V28-V55 HydrophobicContact CG2-CG2 3.79Å
29T98.3Very high95.2Very high30 Ų3040.8 Ų40.818%0.18423%0.232CC..Hα-helixtrans-55.8-54.4175.1-51.10000110.4A31 V32 K33 E54 L57 A58T29-A31 PolarHBondContact O-N 3.16Å; T29-V32 PolarHBondContact O-N 3.4Å; T29-K33 HydrophobicContact CG2-CD 4.28Å; T29-K33 WeakPolarHBondContact O-CG 3.43Å; T29-K33 PolarHBondContact O-N 3.28Å; T29-E54 WeakPolarHBondContact OG1-CB 3.37Å; T29-E54 PolarHBondContact OG1-O 3.25Å; T29-L57 HydrophobicContact CG2-CB 4.3Å; T29-A58 HydrophobicContact CG2-CB 3.91Å; T29-A58 VanDerWaalsContact O-CB 3.29Å; T29-A58 WeakPolarHBondContact O-CB 3.38Å
30E98.3Very high95.2Very high100 Ų10040.5 Ų40.547%0.46723%0.229SC..Hα-helixtrans-65.1-40-179-172.257.4-155.900111.7V28 V32 K33 V34V28-E30 PolarHBondContact O-N 3.11Å; E30-V32 VanDerWaalsContact C-N 3.33Å; E30-V32 PolarHBondContact O-N 2.85Å; E30-K33 PolarHBondContact O-N 3.37Å; E30-V34 HydrophobicContact CG-CG2 4.29Å; E30-V34 WeakPolarHBondContact O-CB 3.45Å; E30-V34 VanDerWaalsContact O-CG2 3.28Å; E30-V34 WeakPolarHBondContact O-CG2 3.25Å; E30-V34 PolarHBondContact O-N 3.48Å; E30-V34 WeakPolarHBondContact OE1-CG2 3.48Å
31A98.6Very high95.2Very high3 Ų344 Ų443%0.02524%0.243CC..Hα-helixtrans-58.8-43.2176.500000112.5K27 V28 T29 A35 V265 I270K27-A31 WeakPolarHBondContact O-CB 3.34Å; K27-A31 PolarHBondContact O-N 3.25Å; K27-A31 VanDerWaalsContact O-N 3.11Å; V28-A31 PolarHBondContact O-N 3.16Å; T29-A31 PolarHBondContact O-N 3.16Å; A31-A35 WeakPolarHBondContact O-CB 3.35Å; A31-A35 PolarHBondContact O-N 3.45Å; A31-V265 HydrophobicContact CB-CB 4.14Å; A31-V265 HydrophobicContact CB-CG1 4.02Å; A31-I270 HydrophobicContact CB-CD1 3.88Å
32V98.8Very high95.4Very high0 Ų040.5 Ų40.50%023%0.229CC..Hα-helixtrans-68.8-42177.71720000111L18 T20 V28 T29 E30 A35 I36 I43 V55 A58 I59L18-V32 HydrophobicContact CD2-CG2 4Å; T20-V32 HydrophobicContact CG2-CG2 4.41Å; V28-V32 HydrophobicContact CG2-CG2 4.12Å; V28-V32 WeakPolarHBondContact O-CG2 3.33Å; V28-V32 PolarHBondContact O-N 3.3Å; T29-V32 PolarHBondContact O-N 3.4Å; E30-V32 VanDerWaalsContact C-N 3.33Å; E30-V32 PolarHBondContact O-N 2.85Å; V32-A35 PolarHBondContact O-N 2.74Å; V32-I36 HydrophobicContact CG1-CD1 3.89Å; V32-I36 WeakPolarHBondContact O-CG1 3.17Å; V32-I36 PolarHBondContact O-N 2.84Å; V32-I43 HydrophobicContact CG1-CD1 4.19Å; V32-I43 HydrophobicContact CG1-CG1 4.4Å; V32-I43 HydrophobicContact CG2-CG2 4.28Å; V32-V55 HydrophobicContact CG2-CG1 4.2Å; V32-V55 HydrophobicContact CG2-CG2 4.22Å; V32-A58 HydrophobicContact CB-CB 3.62Å; V32-A58 HydrophobicContact CG1-CB 3.56Å; V32-I59 HydrophobicContact CG1-CG1 4.36Å
33K98.8Very high95.6Very high29 Ų2937.4 Ų37.413%0.12622%0.216CC..Hα-helixtrans-57.9-52.5175.1-72.4176.769.7173.50111.4T29 E30 A35 I36 D37 A58 E61 K62T29-K33 HydrophobicContact CG2-CD 4.28Å; T29-K33 WeakPolarHBondContact O-CG 3.43Å; T29-K33 PolarHBondContact O-N 3.28Å; E30-K33 PolarHBondContact O-N 3.37Å; K33-A35 VanDerWaalsContact C-N 3.3Å; K33-A35 PolarHBondContact O-N 2.83Å; K33-I36 PolarHBondContact O-N 2.99Å; K33-I36 VanDerWaalsContact O-N 3.15Å; K33-D37 VanDerWaalsContact O-CG 3.32Å; K33-D37 PolarHBondContact O-N 3.04Å; K33-A58 HydrophobicContact CG-CB 3.77Å; K33-E61 WeakPolarHBondContact CD-OE2 3.38Å; K33-E61 VanDerWaalsContact CE-OE2 3.3Å; K33-E61 WeakPolarHBondContact CE-OE2 3.39Å; K33-E61 IonicContact NZ-OE1 3.9Å; K33-E61 PolarHBondContact NZ-OE1 3.02Å; K33-E61 IonicContact NZ-OE2 3.55Å; K33-E61 PolarHBondContact NZ-OE2 3.03Å; K33-K62 HydrophobicContact CG-CG 4.31Å
34V98.8Very high96.1Very high20 Ų2037.3 Ų37.312%0.12122%0.215CC..Hα-helixtrans-57.2-44.4177.51680000110.9E30 I36 D37 L38 P267 I270E30-V34 HydrophobicContact CG-CG2 4.29Å; E30-V34 WeakPolarHBondContact O-CB 3.45Å; E30-V34 VanDerWaalsContact O-CG2 3.28Å; E30-V34 WeakPolarHBondContact O-CG2 3.25Å; E30-V34 PolarHBondContact O-N 3.48Å; E30-V34 WeakPolarHBondContact OE1-CG2 3.48Å; V34-I36 PolarHBondContact O-N 3.49Å; V34-D37 PolarHBondContact O-N 3.33Å; V34-L38 HydrophobicContact CG1-CD1 3.6Å; V34-L38 HydrophobicContact CG1-CG 4.4Å; V34-L38 WeakPolarHBondContact O-CB 3.15Å; V34-L38 WeakPolarHBondContact O-CD1 3.28Å; V34-L38 VanDerWaalsContact O-CG 3.22Å; V34-L38 WeakPolarHBondContact O-CG 3.39Å; V34-L38 PolarHBondContact O-N 3.23Å; V34-P267 HydrophobicContact CG1-CB 4.14Å; V34-I270 HydrophobicContact CG1-CB 4.39Å; V34-I270 HydrophobicContact CG1-CD1 4.3Å; V34-I270 HydrophobicContact CG1-CG2 4.26Å
35A98.8Very high96.8Very high0 Ų034.5 Ų34.50%020%0.197CC..Hα-helixtrans-61-45.5177.300000112.1L18 A31 V32 K33 D37 L38 G39 Y40 I270L18-A35 HydrophobicContact CB-CB 4.38Å; L18-A35 HydrophobicContact CD2-CB 3.77Å; L18-A35 HydrophobicContact CG-CB 4.46Å; A31-A35 WeakPolarHBondContact O-CB 3.35Å; A31-A35 PolarHBondContact O-N 3.45Å; V32-A35 PolarHBondContact O-N 2.74Å; K33-A35 VanDerWaalsContact C-N 3.3Å; K33-A35 PolarHBondContact O-N 2.83Å; A35-D37 VanDerWaalsContact C-N 3.35Å; A35-D37 PolarHBondContact O-N 3.42Å; A35-L38 PolarHBondContact O-N 3Å; A35-G39 PolarHBondContact O-N 3.43Å; A35-Y40 HydrophobicContact CB-CD2 3.73Å; A35-Y40 HydrophobicContact CB-CE2 4.41Å; A35-Y40 HydrophobicContact CB-CG 3.9Å; A35-Y40 VanDerWaalsContact O-CB 3.3Å; A35-Y40 WeakPolarHBondContact O-CB 3.45Å; A35-Y40 WeakPolarHBondContact O-CD2 3.49Å; A35-Y40 PolarHBondContact O-N 2.98Å; A35-I270 HydrophobicContact CB-CG2 3.82Å
36I98.8Very high97.7Very high0 Ų029.8 Ų29.80%017%0.166CC..Hα-helixtrans-61.4-44.1177.5-69.4168.1000110.9V32 K33 V34 L38 G39 R41 K62 V67 V68 L73V32-I36 HydrophobicContact CG1-CD1 3.89Å; V32-I36 WeakPolarHBondContact O-CG1 3.17Å; V32-I36 PolarHBondContact O-N 2.84Å; K33-I36 PolarHBondContact O-N 2.99Å; K33-I36 VanDerWaalsContact O-N 3.15Å; V34-I36 PolarHBondContact O-N 3.49Å; I36-L38 VanDerWaalsContact C-N 3.27Å; I36-L38 PolarHBondContact O-N 3.38Å; I36-G39 PolarHBondContact O-N 3.26Å; I36-G39 VanDerWaalsContact O-N 3.09Å; I36-R41 PolarHBondContact O-NH1 2.99Å; I36-K62 HydrophobicContact CB-CG 4.17Å; I36-K62 HydrophobicContact CD1-CB 4.08Å; I36-K62 HydrophobicContact CD1-CG 3.94Å; I36-K62 HydrophobicContact CG2-CB 4.03Å; I36-K62 HydrophobicContact CG2-CD 4.16Å; I36-K62 HydrophobicContact CG2-CG 3.95Å; I36-V67 HydrophobicContact CG2-CG1 4.05Å; I36-V68 HydrophobicContact CG2-CG1 3.79Å; I36-V68 HydrophobicContact CG2-CG2 3.95Å; I36-L73 HydrophobicContact CD1-CD1 4.49Å; I36-L73 HydrophobicContact CD1-CD2 4.43Å; I36-L73 HydrophobicContact CG1-CD2 4.33Å
37D98.7Very high98.3Very high87 Ų8730.1 Ų30.147%0.46515%0.151SC..Hα-helixtrans-61.8-35.4178.1-68.9-25.5000112.2K33 V34 A35 G39 K62K33-D37 VanDerWaalsContact O-CG 3.32Å; K33-D37 PolarHBondContact O-N 3.04Å; V34-D37 PolarHBondContact O-N 3.33Å; A35-D37 VanDerWaalsContact C-N 3.35Å; A35-D37 PolarHBondContact O-N 3.42Å; D37-G39 VanDerWaalsContact C-N 3.29Å; D37-G39 PolarHBondContact O-N 3.34Å; D37-K62 WeakPolarHBondContact OD1-CE 3.42Å; D37-K62 IonicContact OD1-NZ 2.74Å; D37-K62 PolarHBondContact OD1-NZ 3.48Å; D37-K62 WeakPolarHBondContact OD2-CE 3.38Å; D37-K62 IonicContact OD2-NZ 2.84Å; D37-K62 PolarHBondContact OD2-NZ 2.88Å
38L98.4Very high98.5Very high70 Ų7025.5 Ų25.537%0.36613%0.133SC..Hα-helixtrans-78-11177.5-70.5164.5000114V34 A35 I36 I270 A271 F274V34-L38 HydrophobicContact CG1-CD1 3.6Å; V34-L38 HydrophobicContact CG1-CG 4.4Å; V34-L38 WeakPolarHBondContact O-CB 3.15Å; V34-L38 WeakPolarHBondContact O-CD1 3.28Å; V34-L38 VanDerWaalsContact O-CG 3.22Å; V34-L38 WeakPolarHBondContact O-CG 3.39Å; V34-L38 PolarHBondContact O-N 3.23Å; A35-L38 PolarHBondContact O-N 3Å; I36-L38 VanDerWaalsContact C-N 3.27Å; I36-L38 PolarHBondContact O-N 3.38Å; L38-I270 HydrophobicContact CD1-CB 4.34Å; L38-I270 HydrophobicContact CD1-CG2 3.8Å; L38-A271 HydrophobicContact CD1-CB 3.79Å; L38-A271 HydrophobicContact CD2-CB 3.99Å; L38-F274 WeakPolarHBondContact O-CD1 3.37Å; L38-F274 WeakPolarHBondContact O-CE1 3.5Å
39G98.3Very high98.5Very high26 Ų2627.1 Ų27.127%0.26814%0.139SC..THydrogen-bonded Turntrans111.32.917700000115.4A35 I36 D37 R41 F274A35-G39 PolarHBondContact O-N 3.43Å; I36-G39 PolarHBondContact O-N 3.26Å; I36-G39 VanDerWaalsContact O-N 3.09Å; D37-G39 VanDerWaalsContact C-N 3.29Å; D37-G39 PolarHBondContact O-N 3.34Å; G39-R41 PolarHBondContact O-N 3.36Å; G39-F274 VanDerWaalsContact C-CZ 3.42Å; G39-F274 WeakPolarHBondContact O-CZ 3.32Å
40Y98.8Very high98.4Very high0 Ų032.9 Ų32.90%016%0.164CC..  trans-61.5136.5169.3-74.6-101.8000109.8L16 L18 A35 I270 N273 F274L16-Y40 HydrophobicContact CD1-CE1 4.15Å; L16-Y40 HydrophobicContact CD2-CE1 4.01Å; L16-Y40 HydrophobicContact CG-CD1 4.31Å; L16-Y40 HydrophobicContact CG-CE1 3.66Å; L18-Y40 HydrophobicContact CB-CD1 4.26Å; A35-Y40 HydrophobicContact CB-CD2 3.73Å; A35-Y40 HydrophobicContact CB-CE2 4.41Å; A35-Y40 HydrophobicContact CB-CG 3.9Å; A35-Y40 VanDerWaalsContact O-CB 3.3Å; A35-Y40 WeakPolarHBondContact O-CB 3.45Å; A35-Y40 WeakPolarHBondContact O-CD2 3.49Å; A35-Y40 PolarHBondContact O-N 2.98Å; Y40-I270 HydrophobicContact CD2-CG2 4.37Å; Y40-I270 HydrophobicContact CE2-CG2 3.85Å; Y40-I270 PolarHBondContact OH-O 3.43Å; Y40-N273 WeakPolarHBondContact OH-CB 3.31Å; Y40-F274 HydrophobicContact CD1-CD2 4.19Å; Y40-F274 HydrophobicContact CD1-CE2 4.42Å; Y40-F274 HydrophobicContact CD2-CB 4.45Å; Y40-F274 AromaticContact CD2-CD2 3.49Å; Y40-F274 HydrophobicContact CD2-CD2 3.49Å; Y40-F274 VanDerWaalsContact CD2-CD2 3.49Å; Y40-F274 AromaticContact CD2-CE2 3.97Å; Y40-F274 HydrophobicContact CD2-CE2 3.97Å; Y40-F274 HydrophobicContact CD2-CG 4.14Å; Y40-F274 HydrophobicContact CE1-CD2 4.03Å; Y40-F274 HydrophobicContact CE2-CB 3.64Å; Y40-F274 AromaticContact CE2-CD2 3.33Å; Y40-F274 HydrophobicContact CE2-CD2 3.33Å; Y40-F274 HydrophobicContact CE2-CE2 4.25Å; Y40-F274 AromaticContact CE2-CG 3.77Å; Y40-F274 HydrophobicContact CE2-CG 3.77Å; Y40-F274 AromaticContact CG-CD2 3.93Å; Y40-F274 HydrophobicContact CG-CD2 3.93Å; Y40-F274 HydrophobicContact CG-CE2 4.07Å; Y40-F274 AromaticContact CZ-CD2 3.59Å; Y40-F274 PolarHBondContact OH-N 3.25Å
41R98.8Very high98.4Very high73 Ų7328.3 Ų28.328%0.27514%0.143SC..  trans-126.97.2176.8-66-60.7177.1-93.95.3112.6P14 I36 G39 D72 L73 F74P14-R41 HydrophobicContact CG-CB 4.04Å; I36-R41 PolarHBondContact O-NH1 2.99Å; G39-R41 PolarHBondContact O-N 3.36Å; R41-D72 WeakPolarHBondContact CB-O 3.43Å; R41-D72 WeakPolarHBondContact CD-O 3.5Å; R41-L73 CarbonylContact O-C 3.59Å; R41-L73 WeakPolarHBondContact O-CA 3.36Å; R41-F74 PolarHBondContact O-N 3.26Å
42H98.9Very high98.4Very high0 Ų028.3 Ų28.30%014%0.142CC..EExtended strand (participates in β ladder)trans-130.9124.2179168.4-163.3000108.9M13 P14 G17 L18 F74 V76M13-H42 VanDerWaalsContact CE-CE1 3.44Å; M13-H42 WeakPolarHBondContact CE-CE1 2.93Å; P14-H42 HydrophobicContact CB-CB 3.77Å; P14-H42 HydrophobicContact CG-CB 3.92Å; P14-H42 PolarHBondContact O-ND1 3.37Å; P14-H42 VanDerWaalsContact O-ND1 3.11Å; G17-H42 CarbonylContact C-O 3.52Å; G17-H42 WeakPolarHBondContact CA-O 3.38Å; L18-H42 PolarHBondContact N-O 2.82Å; H42-F74 VanDerWaalsContact CA-O 3.25Å; H42-F74 WeakPolarHBondContact CA-O 3.37Å; H42-F74 HydrophobicContact CB-CB 4.3Å; H42-F74 PolarHBondContact CD2-O 2.88Å; H42-V76 VanDerWaalsContact NE2-CG2 3.34Å; H42-V76 WeakPolarHBondContact NE2-CG2 3.35Å
43I98.9Very high98.4Very high0 Ų032 Ų320%016%0.162CC..EExtended strand (participates in β ladder)trans-122.9125.6177.6-46.7-64.8000108.5L18 T20 V32 V55 F74 I75 V76L18-I43 HydrophobicContact CB-CD1 3.97Å; L18-I43 HydrophobicContact CD2-CD1 4.45Å; T20-I43 HydrophobicContact CG2-CG2 3.86Å; V32-I43 HydrophobicContact CG1-CD1 4.19Å; V32-I43 HydrophobicContact CG1-CG1 4.4Å; V32-I43 HydrophobicContact CG2-CG2 4.28Å; I43-V55 HydrophobicContact CG2-CG1 3.92Å; I43-F74 PolarHBondContact N-O 3.11Å; I43-I75 HydrophobicContact CB-CD1 3.97Å; I43-I75 HydrophobicContact CG1-CD1 3.97Å; I43-V76 PolarHBondContact O-N 3.12Å
44D98.9Very high98.3Very high4 Ų432.3 Ų32.32%0.02116%0.164CC..EExtended strand (participates in β ladder)trans-99.9118.8178.2176.586.1000110.6L18 T20 K78 Q184 I261L18-D44 PolarHBondContact O-N 2.92Å; T20-D44 WeakPolarHBondContact CB-O 3.39Å; T20-D44 WeakPolarHBondContact CG2-O 3.48Å; T20-D44 PolarHBondContact N-O 2.84Å; T20-D44 PolarHBondContact OG1-O 2.86Å; D44-K78 WeakPolarHBondContact OD1-CE 3.25Å; D44-K78 IonicContact OD1-NZ 3.11Å; D44-K78 PolarHBondContact OD1-NZ 2.81Å; D44-K78 IonicContact OD2-NZ 2.95Å; D44-K78 PolarHBondContact OD2-NZ 3.45Å; D44-Q184 PolarHBondContact OD1-NE2 3.34Å; D44-I261 HydrophobicContact CB-CB 4.28Å; D44-I261 HydrophobicContact CB-CD1 3.86Å; D44-I261 HydrophobicContact CB-CG2 4.03Å; D44-I261 VanDerWaalsContact CG-CD1 3.45Å
45C98.8Very high98.3Very high0 Ų031.4 Ų31.40%016%0.158CC..  trans-119.7171.9-175.6-49.90000110.8E52 V76 K78C45-E52 HydrophobicContact CB-CG 4.32Å; C45-E52 WeakPolarHBondContact CB-OE1 3.37Å; C45-V76 WeakPolarHBondContact CA-O 3.14Å; C45-V76 WeakPolarHBondContact CB-O 3.4Å; C45-V76 PolarHBondContact N-O 2.88Å; C45-K78 WeakPolarHBondContact O-CG 3.42Å; C45-K78 PolarHBondContact O-NZ 2.92Å
46A98.6Very high98.3Very high0 Ų031.4 Ų31.40%016%0.158CC..  trans-162.5145.5159.600000108.8V48 Y49 E52 K78A46-V48 HydrophobicContact CB-CG1 4.12Å; A46-V48 PolarHBondContact O-N 3.39Å; A46-Y49 HydrophobicContact CB-CD1 3.86Å; A46-Y49 HydrophobicContact CB-CD2 3.74Å; A46-Y49 HydrophobicContact CB-CE1 3.62Å; A46-Y49 HydrophobicContact CB-CE2 3.5Å; A46-Y49 VanDerWaalsContact CB-CE2 3.5Å; A46-Y49 HydrophobicContact CB-CG 3.9Å; A46-Y49 VanDerWaalsContact CB-CZ 3.4Å; A46-Y49 VanDerWaalsContact N-CD2 3.35Å; A46-Y49 WeakPolarHBondContact O-CB 3.35Å; A46-Y49 PolarHBondContact O-N 3.08Å; A46-E52 VanDerWaalsContact C-CD 3.44Å; A46-E52 VanDerWaalsContact C-OE1 3.31Å; A46-E52 WeakPolarHBondContact O-CG 3.43Å; A46-K78 HydrophobicContact CB-CB 3.98Å; A46-K78 HydrophobicContact CB-CD 4.06Å; A46-K78 HydrophobicContact CB-CG 3.99Å
47H97.4Very high98.3Very high69 Ų6935.1 Ų35.132%0.31918%0.178SC..G310 helixtrans-52-43.5176.3-179.967.3000112.6Y49 Q50 E52H47-Y49 PolarHBondContact O-N 3.47Å; H47-Q50 PolarHBondContact O-N 2.87Å; H47-E52 WeakPolarHBondContact CA-OE2 3.5Å; H47-E52 VanDerWaalsContact N-CD 3.33Å; H47-E52 PolarHBondContact N-OE1 2.8Å; H47-E52 PolarHBondContact N-OE2 2.72Å
48V97.3Very high98.3Very high24 Ų2431 Ų3115%0.14516%0.156CC..G310 helixtrans-63.8-14.5-178.475.60000114.2A46 Q50 W80 I122A46-V48 HydrophobicContact CB-CG1 4.12Å; A46-V48 PolarHBondContact O-N 3.39Å; V48-Q50 PolarHBondContact O-N 2.81Å; V48-W80 HydrophobicContact CB-CD2 3.91Å; V48-W80 HydrophobicContact CB-CE3 3.96Å; V48-W80 HydrophobicContact CB-CG 4.15Å; V48-W80 HydrophobicContact CB-CZ3 4.49Å; V48-W80 HydrophobicContact CG1-CD2 4.22Å; V48-W80 HydrophobicContact CG1-CE3 3.73Å; V48-W80 HydrophobicContact CG1-CZ3 3.99Å; V48-W80 HydrophobicContact CG2-CD2 3.8Å; V48-W80 HydrophobicContact CG2-CE3 4.08Å; V48-W80 HydrophobicContact CG2-CG 4.24Å; V48-W80 HydrophobicContact CG2-CH2 4.35Å; V48-W80 HydrophobicContact CG2-CZ2 4.1Å; V48-W80 HydrophobicContact CG2-CZ3 4.34Å; V48-I122 HydrophobicContact CG2-CB 4.49Å; V48-I122 HydrophobicContact CG2-CD1 4.22Å; V48-I122 HydrophobicContact CG2-CG1 4.45Å; V48-I122 HydrophobicContact CG2-CG2 3.28Å
49Y97.1Very high98.3Very high35 Ų3527.7 Ų27.714%0.13714%0.138CC..G310 helixtrans-76.6-10.2176.4-55.8-14.7000112.4W21 A46 H47 N51 K78 H111W21-Y49 HydrophobicContact CB-CD1 4.09Å; W21-Y49 HydrophobicContact CB-CD2 4Å; W21-Y49 HydrophobicContact CB-CE1 3.94Å; W21-Y49 HydrophobicContact CB-CE2 3.84Å; W21-Y49 HydrophobicContact CB-CG 4.15Å; W21-Y49 AromaticContact CD1-CD1 3.41Å; W21-Y49 VanDerWaalsContact CD1-CD1 3.41Å; W21-Y49 AromaticContact CD1-CE1 3.65Å; W21-Y49 HydrophobicContact CG-CD1 4.03Å; W21-Y49 AromaticContact CG-CE1 3.93Å; W21-Y49 HydrophobicContact CG-CE1 3.93Å; W21-Y49 HydrophobicContact CG-CG 4.48Å; A46-Y49 HydrophobicContact CB-CD1 3.86Å; A46-Y49 HydrophobicContact CB-CD2 3.74Å; A46-Y49 HydrophobicContact CB-CE1 3.62Å; A46-Y49 HydrophobicContact CB-CE2 3.5Å; A46-Y49 VanDerWaalsContact CB-CE2 3.5Å; A46-Y49 HydrophobicContact CB-CG 3.9Å; A46-Y49 VanDerWaalsContact CB-CZ 3.4Å; A46-Y49 VanDerWaalsContact N-CD2 3.35Å; A46-Y49 WeakPolarHBondContact O-CB 3.35Å; A46-Y49 PolarHBondContact O-N 3.08Å; H47-Y49 PolarHBondContact O-N 3.47Å; Y49-N51 WeakPolarHBondContact CB-OD1 3.31Å; Y49-N51 PolarHBondContact O-N 3.19Å; Y49-K78 PolarHBondContact OH-NZ 3.15Å; Y49-H111 AromaticContact CE1-CE1 3.66Å; Y49-H111 AromaticContact CZ-CE1 3.93Å; Y49-H111 PolarHBondContact OH-NE2 3.3Å
50Q96.5Very high98.4Very high150 Ų15029.5 Ų29.570%0.70114%0.14SC*.SBendtrans5926.2176.2-58.1-177.9-31.200114H47 V48H47-Q50 PolarHBondContact O-N 2.87Å; V48-Q50 PolarHBondContact O-N 2.81Å
51N97.9Very high98.3Very high4 Ų432.5 Ų32.52%0.02115%0.154CC..  trans-137.47.9-177.466.24.9000114.2T20 S23 V28 Y49 N53 E54 V55T20-N51 PolarHBondContact O-ND2 3.46Å; S23-N51 PolarHBondContact O-ND2 2.75Å; S23-N51 VanDerWaalsContact O-ND2 3.08Å; V28-N51 HydrophobicContact CG1-CB 3.88Å; Y49-N51 WeakPolarHBondContact CB-OD1 3.31Å; Y49-N51 PolarHBondContact O-N 3.19Å; N51-N53 PolarHBondContact O-N 2.96Å; N51-E54 PolarHBondContact O-N 3.27Å; N51-E54 VanDerWaalsContact O-N 3.11Å; N51-V55 PolarHBondContact O-N 3.48Å; N51-V55 VanDerWaalsContact O-N 3.16Å
52E98.6Very high98.3Very high4 Ų429.5 Ų29.52%0.01914%0.143CC..Hα-helixtrans-58.1-35.2178.6-65-158.7126.900112.7C45 A46 H47 E54 V55 G56 S77 T96 D99 L100C45-E52 HydrophobicContact CB-CG 4.32Å; C45-E52 WeakPolarHBondContact CB-OE1 3.37Å; A46-E52 VanDerWaalsContact C-CD 3.44Å; A46-E52 VanDerWaalsContact C-OE1 3.31Å; A46-E52 WeakPolarHBondContact O-CG 3.43Å; H47-E52 WeakPolarHBondContact CA-OE2 3.5Å; H47-E52 VanDerWaalsContact N-CD 3.33Å; H47-E52 PolarHBondContact N-OE1 2.8Å; H47-E52 PolarHBondContact N-OE2 2.72Å; E52-E54 VanDerWaalsContact C-N 3.28Å; E52-E54 PolarHBondContact O-N 3.03Å; E52-V55 PolarHBondContact O-N 3.09Å; E52-G56 PolarHBondContact O-N 3.15Å; E52-S77 WeakPolarHBondContact OE1-CB 3.37Å; E52-S77 PolarHBondContact OE1-OG 2.63Å; E52-T96 WeakPolarHBondContact OE2-CB 3.03Å; E52-T96 WeakPolarHBondContact OE2-CG2 3.34Å; E52-T96 PolarHBondContact OE2-OG1 3.47Å; E52-D99 HydrophobicContact CB-CB 3.99Å; E52-L100 HydrophobicContact CB-CD2 4.09Å; E52-L100 HydrophobicContact CB-CG 4.19Å; E52-L100 WeakPolarHBondContact O-CD2 3.25Å
53N98.5Very high98.3Very high76 Ų7631.7 Ų31.741%0.40615%0.154SC..Hα-helixtrans-58.8-41.3177.7178.771000112.6N51 G56 L57 D99 K101N51-N53 PolarHBondContact O-N 2.96Å; N53-G56 PolarHBondContact O-N 3.42Å; N53-L57 WeakPolarHBondContact O-CG 3.42Å; N53-L57 PolarHBondContact O-N 3.38Å; N53-D99 WeakPolarHBondContact CA-O 3.48Å; N53-D99 HydrophobicContact CB-CB 4.45Å; N53-K101 PolarHBondContact O-NZ 3.07Å; N53-K101 PolarHBondContact OD1-NZ 3.11Å
54E98.4Very high98.3Very high37 Ų3738 Ų3817%0.17318%0.184CC..Hα-helixtrans-74.2-36.5179.6-70.8-175.3-171.200112.3P25 G26 V28 T29 N51 E52 G56 L57 A58P25-E54 WeakPolarHBondContact CA-OE1 3.36Å; P25-E54 WeakPolarHBondContact CA-OE2 3.17Å; P25-E54 WeakPolarHBondContact CB-OE1 3.32Å; G26-E54 VanDerWaalsContact N-CD 3.26Å; G26-E54 PolarHBondContact N-OE1 3.19Å; G26-E54 PolarHBondContact N-OE2 2.94Å; V28-E54 HydrophobicContact CG1-CB 3.4Å; V28-E54 VanDerWaalsContact CG1-CB 3.4Å; V28-E54 HydrophobicContact CG1-CG 4.3Å; V28-E54 WeakPolarHBondContact CG1-OE2 3.48Å; T29-E54 WeakPolarHBondContact OG1-CB 3.37Å; T29-E54 PolarHBondContact OG1-O 3.25Å; N51-E54 PolarHBondContact O-N 3.27Å; N51-E54 VanDerWaalsContact O-N 3.11Å; E52-E54 VanDerWaalsContact C-N 3.28Å; E52-E54 PolarHBondContact O-N 3.03Å; E54-G56 VanDerWaalsContact C-N 3.29Å; E54-G56 PolarHBondContact O-N 3.2Å; E54-L57 WeakPolarHBondContact O-CB 3.35Å; E54-L57 PolarHBondContact O-N 3.2Å; E54-A58 PolarHBondContact O-N 3.26Å; E54-A58 VanDerWaalsContact O-N 3.15Å
55V98.7Very high98.3Very high0 Ų042.3 Ų42.30%020%0.203CC..Hα-helixtrans-59.2-44.3169.7177.40000110.3T20 V28 V32 I43 N51 E52 L57 A58 I59 L100T20-V55 HydrophobicContact CG2-CG2 3.93Å; V28-V55 HydrophobicContact CG1-CG2 4.48Å; V28-V55 HydrophobicContact CG2-CG2 3.79Å; V32-V55 HydrophobicContact CG2-CG1 4.2Å; V32-V55 HydrophobicContact CG2-CG2 4.22Å; I43-V55 HydrophobicContact CG2-CG1 3.92Å; N51-V55 PolarHBondContact O-N 3.48Å; N51-V55 VanDerWaalsContact O-N 3.16Å; E52-V55 PolarHBondContact O-N 3.09Å; V55-L57 VanDerWaalsContact C-N 3.34Å; V55-L57 PolarHBondContact O-N 2.97Å; V55-A58 PolarHBondContact O-N 3.39Å; V55-I59 HydrophobicContact CG1-CD1 3.77Å; V55-I59 HydrophobicContact CG1-CG1 4.45Å; V55-I59 WeakPolarHBondContact O-CG1 3.36Å; V55-I59 PolarHBondContact O-N 3.36Å; V55-L100 HydrophobicContact CB-CD2 3.96Å; V55-L100 HydrophobicContact CG1-CD2 3.86Å
56G98.6Very high98.3Very high0 Ų050.6 Ų50.60%024%0.242CC..Hα-helixtrans-61.1-38.9176.100000113.6E52 N53 E54 I59 Q60 L100E52-G56 PolarHBondContact O-N 3.15Å; N53-G56 PolarHBondContact O-N 3.42Å; E54-G56 VanDerWaalsContact C-N 3.29Å; E54-G56 PolarHBondContact O-N 3.2Å; G56-I59 PolarHBondContact O-N 2.79Å; G56-Q60 VanDerWaalsContact O-CB 3.25Å; G56-Q60 WeakPolarHBondContact O-CB 3.39Å; G56-Q60 PolarHBondContact O-N 2.71Å; G56-L100 WeakPolarHBondContact CA-O 3.13Å
57L98.6Very high98.3Very high79 Ų7953.3 Ų53.341%0.41426%0.259SS..Hα-helixtrans-60.5-45.6174.5-71.3171.4000111.6T29 N53 E54 V55 Q60 E61 K101T29-L57 HydrophobicContact CG2-CB 4.3Å; N53-L57 WeakPolarHBondContact O-CG 3.42Å; N53-L57 PolarHBondContact O-N 3.38Å; E54-L57 WeakPolarHBondContact O-CB 3.35Å; E54-L57 PolarHBondContact O-N 3.2Å; V55-L57 VanDerWaalsContact C-N 3.34Å; V55-L57 PolarHBondContact O-N 2.97Å; L57-Q60 PolarHBondContact O-N 2.78Å; L57-E61 WeakPolarHBondContact O-CB 3.41Å; L57-E61 PolarHBondContact O-N 2.95Å; L57-K101 HydrophobicContact CD2-CD 4.34Å
58A98.6Very high98.3Very high0 Ų050.3 Ų50.30%025%0.245CC..Hα-helixtrans-63.5-44.3178.300000112.8T29 V32 K33 E54 V55 E61 K62T29-A58 HydrophobicContact CG2-CB 3.91Å; T29-A58 VanDerWaalsContact O-CB 3.29Å; T29-A58 WeakPolarHBondContact O-CB 3.38Å; V32-A58 HydrophobicContact CB-CB 3.62Å; V32-A58 HydrophobicContact CG1-CB 3.56Å; K33-A58 HydrophobicContact CG-CB 3.77Å; E54-A58 PolarHBondContact O-N 3.26Å; E54-A58 VanDerWaalsContact O-N 3.15Å; V55-A58 PolarHBondContact O-N 3.39Å; A58-E61 PolarHBondContact O-N 2.7Å; A58-K62 WeakPolarHBondContact O-CG 3.45Å; A58-K62 PolarHBondContact O-N 3.44Å
59I98.8Very high98.4Very high0 Ų055.2 Ų55.20%027%0.265CS..Hα-helixtrans-62-48.9177.6-68.8165.3000110.1V32 V55 G56 E61 K62 I63 L73 I75 L102V32-I59 HydrophobicContact CG1-CG1 4.36Å; V55-I59 HydrophobicContact CG1-CD1 3.77Å; V55-I59 HydrophobicContact CG1-CG1 4.45Å; V55-I59 WeakPolarHBondContact O-CG1 3.36Å; V55-I59 PolarHBondContact O-N 3.36Å; G56-I59 PolarHBondContact O-N 2.79Å; I59-E61 VanDerWaalsContact C-N 3.33Å; I59-E61 PolarHBondContact O-N 3.1Å; I59-K62 PolarHBondContact O-N 3.03Å; I59-I63 HydrophobicContact CG2-CD1 3.74Å; I59-I63 HydrophobicContact CG2-CG1 4.49Å; I59-I63 WeakPolarHBondContact O-CG1 3.49Å; I59-I63 PolarHBondContact O-N 3.44Å; I59-L73 HydrophobicContact CG1-CD1 4.38Å; I59-L73 HydrophobicContact CG2-CD1 3.72Å; I59-I75 HydrophobicContact CD1-CD1 3.58Å; I59-I75 HydrophobicContact CD1-CG1 4.11Å; I59-I75 HydrophobicContact CG1-CD1 4.36Å; I59-L102 HydrophobicContact CG2-CD2 4.13Å
60Q98.7Very high98.5Very high64 Ų6455.1 Ų55.130%0.29926%0.264SS..Hα-helixtrans-60-44.4-179.7-174.963.72600111.6G56 L57 I63 Q64G56-Q60 VanDerWaalsContact O-CB 3.25Å; G56-Q60 WeakPolarHBondContact O-CB 3.39Å; G56-Q60 PolarHBondContact O-N 2.71Å; L57-Q60 PolarHBondContact O-N 2.78Å; Q60-I63 PolarHBondContact O-N 2.91Å; Q60-Q64 WeakPolarHBondContact O-CB 3.47Å; Q60-Q64 VanDerWaalsContact O-CG 3.28Å; Q60-Q64 WeakPolarHBondContact O-CG 3.3Å; Q60-Q64 PolarHBondContact O-N 3.24Å
61E98.6Very high98.6Very high64 Ų6454 Ų5430%0.29926%0.259SS..Hα-helixtrans-61.9-46.2177.4-169.6176.8174.800111K33 L57 A58 I59 I63 Q64 E65K33-E61 WeakPolarHBondContact CD-OE2 3.38Å; K33-E61 VanDerWaalsContact CE-OE2 3.3Å; K33-E61 WeakPolarHBondContact CE-OE2 3.39Å; K33-E61 IonicContact NZ-OE1 3.9Å; K33-E61 PolarHBondContact NZ-OE1 3.02Å; K33-E61 IonicContact NZ-OE2 3.55Å; K33-E61 PolarHBondContact NZ-OE2 3.03Å; L57-E61 WeakPolarHBondContact O-CB 3.41Å; L57-E61 PolarHBondContact O-N 2.95Å; A58-E61 PolarHBondContact O-N 2.7Å; I59-E61 VanDerWaalsContact C-N 3.33Å; I59-E61 PolarHBondContact O-N 3.1Å; E61-I63 VanDerWaalsContact C-N 3.3Å; E61-I63 PolarHBondContact O-N 3.47Å; E61-Q64 PolarHBondContact O-N 3.42Å; E61-Q64 VanDerWaalsContact O-N 3.12Å; E61-E65 HydrophobicContact CG-CG 4.43Å; E61-E65 WeakPolarHBondContact O-CB 3.35Å; E61-E65 WeakPolarHBondContact O-CG 3.37Å; E61-E65 PolarHBondContact O-N 3.07Å
62K98.8Very high98.6Very high10 Ų1057.5 Ų57.54%0.04328%0.277CS..Hα-helixtrans-66.5-29.1179-69.4-67.6169.6-164.60114.1K33 I36 D37 A58 I59 E65 Q66 V67 V68K33-K62 HydrophobicContact CG-CG 4.31Å; I36-K62 HydrophobicContact CB-CG 4.17Å; I36-K62 HydrophobicContact CD1-CB 4.08Å; I36-K62 HydrophobicContact CD1-CG 3.94Å; I36-K62 HydrophobicContact CG2-CB 4.03Å; I36-K62 HydrophobicContact CG2-CD 4.16Å; I36-K62 HydrophobicContact CG2-CG 3.95Å; D37-K62 WeakPolarHBondContact OD1-CE 3.42Å; D37-K62 IonicContact OD1-NZ 2.74Å; D37-K62 PolarHBondContact OD1-NZ 3.48Å; D37-K62 WeakPolarHBondContact OD2-CE 3.38Å; D37-K62 IonicContact OD2-NZ 2.84Å; D37-K62 PolarHBondContact OD2-NZ 2.88Å; A58-K62 WeakPolarHBondContact O-CG 3.45Å; A58-K62 PolarHBondContact O-N 3.44Å; I59-K62 PolarHBondContact O-N 3.03Å; K62-E65 IonicContact NZ-OE2 2.75Å; K62-E65 PolarHBondContact NZ-OE2 3.24Å; K62-Q66 PolarHBondContact O-N 3.5Å; K62-V67 HydrophobicContact CB-CB 4.48Å; K62-V67 HydrophobicContact CD-CB 4.07Å; K62-V67 HydrophobicContact CD-CG1 4.23Å; K62-V67 HydrophobicContact CD-CG2 3.99Å; K62-V67 PolarHBondContact O-N 3.41Å; K62-V68 HydrophobicContact CB-CG2 4.1Å; K62-V68 PolarHBondContact O-N 3.23Å
63I98.7Very high98.6Very high45 Ų4557.5 Ų57.523%0.23128%0.277CS..Hα-helixtrans-71.8-43.5170.7-67.9169.1000110.7I59 Q60 E61 Q66 V68 R70I59-I63 HydrophobicContact CG2-CD1 3.74Å; I59-I63 HydrophobicContact CG2-CG1 4.49Å; I59-I63 WeakPolarHBondContact O-CG1 3.49Å; I59-I63 PolarHBondContact O-N 3.44Å; Q60-I63 PolarHBondContact O-N 2.91Å; E61-I63 VanDerWaalsContact C-N 3.3Å; E61-I63 PolarHBondContact O-N 3.47Å; I63-Q66 WeakPolarHBondContact O-CA 3.5Å; I63-Q66 PolarHBondContact O-N 3.39Å; I63-V68 WeakPolarHBondContact CA-O 3.06Å; I63-V68 HydrophobicContact CG1-CG2 4.35Å; I63-R70 HydrophobicContact CD1-CB 4.12Å
64Q98.6Very high98.6Very high134 Ų13454.3 Ų54.363%0.62626%0.26SS*.Hα-helixtrans-64.8-38.1177.9-75.1172.6-12.100112.6Q60 E61 Q66Q60-Q64 WeakPolarHBondContact O-CB 3.47Å; Q60-Q64 VanDerWaalsContact O-CG 3.28Å; Q60-Q64 WeakPolarHBondContact O-CG 3.3Å; Q60-Q64 PolarHBondContact O-N 3.24Å; E61-Q64 PolarHBondContact O-N 3.42Å; E61-Q64 VanDerWaalsContact O-N 3.12Å; Q64-Q66 PolarHBondContact O-N 2.9Å
65E98.6Very high98.6Very high93 Ų9352.5 Ų52.544%0.43525%0.252SS..THydrogen-bonded Turntrans-70.4-5.2172.1-69.8178.6166.900113E61 K62 V67E61-E65 HydrophobicContact CG-CG 4.43Å; E61-E65 WeakPolarHBondContact O-CB 3.35Å; E61-E65 WeakPolarHBondContact O-CG 3.37Å; E61-E65 PolarHBondContact O-N 3.07Å; K62-E65 IonicContact NZ-OE2 2.75Å; K62-E65 PolarHBondContact NZ-OE2 3.24Å; E65-V67 HydrophobicContact CB-CG2 3.86Å; E65-V67 PolarHBondContact O-N 3.32Å
66Q98.4Very high98.7Very high175 Ų17552.5 Ų52.582%0.81825%0.252SS*.THydrogen-bonded Turntrans59.424.4-176.7-52.7-175.8-37.900114K62 I63 Q64 V68K62-Q66 PolarHBondContact O-N 3.5Å; I63-Q66 WeakPolarHBondContact O-CA 3.5Å; I63-Q66 PolarHBondContact O-N 3.39Å; Q64-Q66 PolarHBondContact O-N 2.9Å; Q66-V68 VanDerWaalsContact C-N 3.32Å
67V98.6Very high98.7Very high57 Ų5752.5 Ų52.535%0.34525%0.252SS..SBendtrans-69.4-35.1174.4177.70000110.6I36 K62 E65I36-V67 HydrophobicContact CG2-CG1 4.05Å; K62-V67 HydrophobicContact CB-CB 4.48Å; K62-V67 HydrophobicContact CD-CB 4.07Å; K62-V67 HydrophobicContact CD-CG1 4.23Å; K62-V67 HydrophobicContact CD-CG2 3.99Å; K62-V67 PolarHBondContact O-N 3.41Å; E65-V67 HydrophobicContact CB-CG2 3.86Å; E65-V67 PolarHBondContact O-N 3.32Å
68V98.7Very high98.7Very high6 Ų648.8 Ų48.84%0.03623%0.232CC..SBendtrans-145.7156.4177.1-70.80000110.3I36 K62 I63 Q66 D72 L73I36-V68 HydrophobicContact CG2-CG1 3.79Å; I36-V68 HydrophobicContact CG2-CG2 3.95Å; K62-V68 HydrophobicContact CB-CG2 4.1Å; K62-V68 PolarHBondContact O-N 3.23Å; I63-V68 WeakPolarHBondContact CA-O 3.06Å; I63-V68 HydrophobicContact CG1-CG2 4.35Å; Q66-V68 VanDerWaalsContact C-N 3.32Å; V68-D72 HydrophobicContact CB-CB 4.26Å; V68-L73 HydrophobicContact CB-CG 4.49Å; V68-L73 HydrophobicContact CG1-CD2 4.47Å; V68-L73 HydrophobicContact CG2-CD1 3.98Å; V68-L73 HydrophobicContact CG2-CD2 4.19Å; V68-L73 HydrophobicContact CG2-CG 4.1Å
69K98.7Very high98.7Very high127 Ų12748.8 Ų48.855%0.55223%0.232SC*.  trans-91.8164.6164-56.6-179.5-176.7175.70110.5E71 D72K69-E71 VanDerWaalsContact C-N 3.26Å; K69-E71 HydrophobicContact CB-CG 4.19Å; K69-E71 WeakPolarHBondContact CB-OE2 3.45Å; K69-E71 VanDerWaalsContact CD-OE1 3.24Å; K69-E71 WeakPolarHBondContact CD-OE1 3.34Å; K69-E71 PolarHBondContact O-N 2.94Å; K69-D72 WeakPolarHBondContact CB-OD2 3Å; K69-D72 PolarHBondContact N-OD2 3.26Å; K69-D72 WeakPolarHBondContact O-CB 3.45Å; K69-D72 PolarHBondContact O-N 3.29Å; K69-D72 VanDerWaalsContact O-N 3.09Å
70R98.6Very high98.7Very high32 Ų3249.4 Ų49.412%0.12123%0.234CC..G310 helixtrans-58.7-40.8176.8174.656.4-169.694.3-6.2111.3I63 D72 L73 Y104 D106I63-R70 HydrophobicContact CD1-CB 4.12Å; R70-D72 PolarHBondContact O-N 3.37Å; R70-L73 PolarHBondContact NH1-O 3.2Å; R70-L73 PolarHBondContact O-N 3.43Å; R70-Y104 HydrophobicContact CG-CE1 3.9Å; R70-Y104 PolarHBondContact NH1-OH 3.34Å; R70-Y104 PolarHBondContact NH2-O 3.4Å; R70-D106 IonicContact CZ-OD2 2.75Å; R70-D106 VanDerWaalsContact CZ-OD2 3.26Å; R70-D106 IonicContact NH1-OD1 2.65Å; R70-D106 IonicContact NH1-OD2 3.7Å; R70-D106 PolarHBondContact NH1-OD2 3.04Å; R70-D106 IonicContact NH2-OD2 2.64Å; R70-D106 PolarHBondContact NH2-OD2 3.4Å
71E98.3Very high98.7Very high128 Ų12846.4 Ų46.460%0.59822%0.22SC*.G310 helixtrans-71.3-1317963.6-92.7-149.500114.5K69 L73K69-E71 VanDerWaalsContact C-N 3.26Å; K69-E71 HydrophobicContact CB-CG 4.19Å; K69-E71 WeakPolarHBondContact CB-OE2 3.45Å; K69-E71 VanDerWaalsContact CD-OE1 3.24Å; K69-E71 WeakPolarHBondContact CD-OE1 3.34Å; K69-E71 PolarHBondContact O-N 2.94Å; E71-L73 VanDerWaalsContact C-N 3.29Å
72D98.3Very high98.7Very high77 Ų7743.6 Ų43.641%0.41221%0.207SC..G310 helixtrans-79.5-16.7172.4-62-39.6000111.8R41 V68 K69 R70R41-D72 WeakPolarHBondContact CB-O 3.43Å; R41-D72 WeakPolarHBondContact CD-O 3.5Å; V68-D72 HydrophobicContact CB-CB 4.26Å; K69-D72 WeakPolarHBondContact CB-OD2 3Å; K69-D72 PolarHBondContact N-OD2 3.26Å; K69-D72 WeakPolarHBondContact O-CB 3.45Å; K69-D72 PolarHBondContact O-N 3.29Å; K69-D72 VanDerWaalsContact O-N 3.09Å; R70-D72 PolarHBondContact O-N 3.37Å
73L98.9Very high98.7Very high3 Ų345.3 Ų45.32%0.01622%0.216CC..  trans-101.8143.7-177-62.6178.3000111.8I36 R41 I59 V68 R70 E71 I75I36-L73 HydrophobicContact CD1-CD1 4.49Å; I36-L73 HydrophobicContact CD1-CD2 4.43Å; I36-L73 HydrophobicContact CG1-CD2 4.33Å; R41-L73 CarbonylContact O-C 3.59Å; R41-L73 WeakPolarHBondContact O-CA 3.36Å; I59-L73 HydrophobicContact CG1-CD1 4.38Å; I59-L73 HydrophobicContact CG2-CD1 3.72Å; V68-L73 HydrophobicContact CB-CG 4.49Å; V68-L73 HydrophobicContact CG1-CD2 4.47Å; V68-L73 HydrophobicContact CG2-CD1 3.98Å; V68-L73 HydrophobicContact CG2-CD2 4.19Å; V68-L73 HydrophobicContact CG2-CG 4.1Å; R70-L73 PolarHBondContact NH1-O 3.2Å; R70-L73 PolarHBondContact O-N 3.43Å; E71-L73 VanDerWaalsContact C-N 3.29Å; L73-I75 HydrophobicContact CB-CD1 4.01Å; L73-I75 HydrophobicContact CB-CG1 4.32Å; L73-I75 HydrophobicContact CD1-CD1 4.47Å
74F98.9Very high98.7Very high9 Ų943.2 Ų43.24%0.03921%0.205CC..EExtended strand (participates in β ladder)trans-115.2100.2173.3-160.6-74.1000109.4L7 A11 M13 P14 R41 H42 I43 V76 D106 L107L7-F74 HydrophobicContact CD1-CE2 4.46Å; L7-F74 HydrophobicContact CD1-CZ 4.04Å; A11-F74 HydrophobicContact CB-CE2 4.47Å; M13-F74 HydrophobicContact CB-CD2 4.2Å; M13-F74 HydrophobicContact CB-CE1 4.4Å; M13-F74 HydrophobicContact CB-CE2 3.78Å; M13-F74 HydrophobicContact CB-CZ 3.9Å; M13-F74 HydrophobicContact CE-CD1 4.19Å; M13-F74 HydrophobicContact CE-CE1 3.72Å; M13-F74 HydrophobicContact CE-CZ 4.42Å; M13-F74 HydrophobicContact CG-CD1 3.85Å; M13-F74 HydrophobicContact CG-CD2 4.11Å; M13-F74 HydrophobicContact CG-CE1 3.56Å; M13-F74 HydrophobicContact CG-CE2 3.83Å; M13-F74 HydrophobicContact CG-CG 4.13Å; M13-F74 HydrophobicContact CG-CZ 3.56Å; M13-F74 HydrophobicContact SD-CD1 4.43Å; M13-F74 HydrophobicContact SD-CE1 3.67Å; M13-F74 HydrophobicContact SD-CZ 3.75Å; P14-F74 HydrophobicContact CG-CB 4.08Å; R41-F74 PolarHBondContact O-N 3.26Å; H42-F74 VanDerWaalsContact CA-O 3.25Å; H42-F74 WeakPolarHBondContact CA-O 3.37Å; H42-F74 HydrophobicContact CB-CB 4.3Å; H42-F74 PolarHBondContact CD2-O 2.88Å; I43-F74 PolarHBondContact N-O 3.11Å; F74-V76 HydrophobicContact CD1-CG2 3.88Å; F74-V76 HydrophobicContact CE1-CG2 3.85Å; F74-D106 WeakPolarHBondContact CA-OD2 3.41Å; F74-D106 HydrophobicContact CB-CB 4.44Å; F74-D106 HydrophobicContact CD1-CB 3.76Å; F74-D106 HydrophobicContact CD2-CB 3.78Å; F74-D106 HydrophobicContact CE1-CB 3.8Å; F74-D106 HydrophobicContact CE2-CB 3.83Å; F74-D106 HydrophobicContact CG-CB 3.74Å; F74-D106 HydrophobicContact CZ-CB 3.83Å; F74-L107 HydrophobicContact CE1-CB 3.64Å; F74-L107 HydrophobicContact CE1-CD2 4.22Å; F74-L107 HydrophobicContact CZ-CB 4.01Å
75I98.9Very high98.6Very high0 Ų040.3 Ų40.30%019%0.191CC..EExtended strand (participates in β ladder)trans-102.1121.9-175.3-50.4-55.5000109.9I43 I59 L73 L100 L102 L105 D106 L107I43-I75 HydrophobicContact CB-CD1 3.97Å; I43-I75 HydrophobicContact CG1-CD1 3.97Å; I59-I75 HydrophobicContact CD1-CD1 3.58Å; I59-I75 HydrophobicContact CD1-CG1 4.11Å; I59-I75 HydrophobicContact CG1-CD1 4.36Å; L73-I75 HydrophobicContact CB-CD1 4.01Å; L73-I75 HydrophobicContact CB-CG1 4.32Å; L73-I75 HydrophobicContact CD1-CD1 4.47Å; I75-L100 HydrophobicContact CG2-CD1 4.07Å; I75-L102 HydrophobicContact CB-CD1 4.14Å; I75-L102 HydrophobicContact CG1-CD1 3.95Å; I75-L102 HydrophobicContact CG2-CD1 4Å; I75-L105 HydrophobicContact CG2-CD2 4.03Å; I75-D106 PolarHBondContact N-OD2 3.33Å; I75-D106 PolarHBondContact O-N 3.25Å; I75-L107 PolarHBondContact O-N 3.48Å
76V98.9Very high98.6Very high0 Ų040.4 Ų40.40%019%0.19CC..EExtended strand (participates in β ladder)trans-105.9135.1177.4-171.80000109.4M13 H42 I43 C45 F74 L107 L109M13-V76 HydrophobicContact CE-CG2 4.02Å; H42-V76 VanDerWaalsContact NE2-CG2 3.34Å; H42-V76 WeakPolarHBondContact NE2-CG2 3.35Å; I43-V76 PolarHBondContact O-N 3.12Å; C45-V76 WeakPolarHBondContact CA-O 3.14Å; C45-V76 WeakPolarHBondContact CB-O 3.4Å; C45-V76 PolarHBondContact N-O 2.88Å; F74-V76 HydrophobicContact CD1-CG2 3.88Å; F74-V76 HydrophobicContact CE1-CG2 3.85Å; V76-L107 WeakPolarHBondContact CA-O 3.37Å; V76-L107 HydrophobicContact CB-CB 4.5Å; V76-L107 HydrophobicContact CG1-CB 4.21Å; V76-L107 HydrophobicContact CG1-CD2 3.96Å; V76-L107 HydrophobicContact CG1-CG 4.07Å; V76-L107 HydrophobicContact CG2-CB 4.08Å; V76-L107 HydrophobicContact CG2-CD2 4.04Å; V76-L109 HydrophobicContact CG1-CD1 3.92Å; V76-L109 HydrophobicContact CG1-CG 4.07Å
77S98.9Very high98.6Very high0 Ų039.7 Ų39.70%019%0.192CC..EExtended strand (participates in β ladder)trans-137.4179.6163.9-171.40000111.2E52 T96 L107 Y108 L109E52-S77 WeakPolarHBondContact OE1-CB 3.37Å; E52-S77 PolarHBondContact OE1-OG 2.63Å; S77-T96 WeakPolarHBondContact OG-CG2 3.27Å; S77-L107 PolarHBondContact N-O 3.47Å; S77-L107 VanDerWaalsContact N-O 3.1Å; S77-Y108 VanDerWaalsContact C-CD2 3.41Å; S77-Y108 WeakPolarHBondContact O-CA 3.39Å; S77-Y108 WeakPolarHBondContact O-CD2 3.23Å; S77-L109 PolarHBondContact O-N 2.94Å
78K98.9Very high98.6Very high0 Ų039.8 Ų39.80%019%0.19CC..EExtended strand (participates in β ladder)trans-142.7130.6-166-41.9-176.6-177.8770112.4D44 C45 A46 Y49 W80 L109 H111D44-K78 WeakPolarHBondContact OD1-CE 3.25Å; D44-K78 IonicContact OD1-NZ 3.11Å; D44-K78 PolarHBondContact OD1-NZ 2.81Å; D44-K78 IonicContact OD2-NZ 2.95Å; D44-K78 PolarHBondContact OD2-NZ 3.45Å; C45-K78 WeakPolarHBondContact O-CG 3.42Å; C45-K78 PolarHBondContact O-NZ 2.92Å; A46-K78 HydrophobicContact CB-CB 3.98Å; A46-K78 HydrophobicContact CB-CD 4.06Å; A46-K78 HydrophobicContact CB-CG 3.99Å; Y49-K78 PolarHBondContact OH-NZ 3.15Å; K78-W80 PolarHBondContact O-N 2.96Å; K78-L109 CarbonylContact C-O 3.6Å; K78-L109 VanDerWaalsContact CA-O 3.23Å; K78-L109 WeakPolarHBondContact CA-O 3.43Å; K78-L109 HydrophobicContact CB-CB 4.42Å; K78-L109 HydrophobicContact CG-CB 4.19Å; K78-L109 HydrophobicContact CG-CD1 4.43Å; K78-H111 HydrophobicContact CB-CB 3.69Å; K78-H111 HydrophobicContact CD-CB 4.37Å; K78-H111 VanDerWaalsContact CD-CD2 3.44Å; K78-H111 WeakPolarHBondContact CD-CD2 3.44Å
79L98.9Very high98.6Very high0 Ų039.5 Ų39.50%019%0.189CC..EExtended strand (participates in β ladder)trans-69.9115.8169.2-177.773.5000109.6H83 V89 A92 Y108 L109 H111 T141 M145L79-H83 HydrophobicContact CD1-CB 3.61Å; L79-H83 HydrophobicContact CG-CB 4.33Å; L79-V89 HydrophobicContact CD1-CG1 4.49Å; L79-V89 HydrophobicContact CD2-CG1 4.27Å; L79-V89 HydrophobicContact CD2-CG2 3.89Å; L79-A92 HydrophobicContact CD1-CB 3.59Å; L79-Y108 WeakPolarHBondContact CA-OH 3.26Å; L79-Y108 HydrophobicContact CB-CE1 3.86Å; L79-Y108 HydrophobicContact CD1-CE1 4.32Å; L79-L109 PolarHBondContact N-O 3.15Å; L79-H111 WeakPolarHBondContact O-CB 3.5Å; L79-H111 PolarHBondContact O-N 3.37Å; L79-T141 HydrophobicContact CD2-CG2 3.48Å; L79-T141 VanDerWaalsContact CD2-CG2 3.48Å; L79-M145 HydrophobicContact CB-SD 4.39Å; L79-M145 HydrophobicContact CD2-SD 3.99Å
80W98.6Very high98.6Very high14 Ų1437.2 Ų37.25%0.05318%0.179CC..  trans-76.1156178.5-173.5-116.8000112.6V48 K78 T82 H83 H84 H111 W112 F116 I122 F123V48-W80 HydrophobicContact CB-CD2 3.91Å; V48-W80 HydrophobicContact CB-CE3 3.96Å; V48-W80 HydrophobicContact CB-CG 4.15Å; V48-W80 HydrophobicContact CB-CZ3 4.49Å; V48-W80 HydrophobicContact CG1-CD2 4.22Å; V48-W80 HydrophobicContact CG1-CE3 3.73Å; V48-W80 HydrophobicContact CG1-CZ3 3.99Å; V48-W80 HydrophobicContact CG2-CD2 3.8Å; V48-W80 HydrophobicContact CG2-CE3 4.08Å; V48-W80 HydrophobicContact CG2-CG 4.24Å; V48-W80 HydrophobicContact CG2-CH2 4.35Å; V48-W80 HydrophobicContact CG2-CZ2 4.1Å; V48-W80 HydrophobicContact CG2-CZ3 4.34Å; K78-W80 PolarHBondContact O-N 2.96Å; W80-T82 PolarHBondContact O-N 3.06Å; W80-T82 VanDerWaalsContact O-N 3.09Å; W80-H83 PolarHBondContact O-N 3.26Å; W80-H84 PolarHBondContact O-CD2 2.79Å; W80-H111 HydrophobicContact CE3-CB 4.19Å; W80-H111 AromaticContact CE3-CG 3.9Å; W80-H111 AromaticContact CE3-ND1 3.44Å; W80-H111 AromaticContact CZ3-CE1 3.99Å; W80-H111 AromaticContact CZ3-ND1 3.79Å; W80-W112 AromaticContact CZ3-CD1 3.66Å; W80-W112 AromaticContact CZ3-NE1 3.99Å; W80-F116 AromaticContact CZ2-CE2 3.93Å; W80-F116 HydrophobicContact CZ2-CE2 3.93Å; W80-I122 HydrophobicContact CZ2-CG2 3.89Å; W80-I122 PolarHBondContact NE1-O 3.27Å; W80-F123 AromaticContact CH2-CE1 3.97Å; W80-F123 HydrophobicContact CH2-CE1 3.97Å; W80-F123 HydrophobicContact CH2-CE2 4.49Å; W80-F123 AromaticContact CH2-CZ 3.67Å; W80-F123 HydrophobicContact CH2-CZ 3.67Å; W80-F123 HydrophobicContact CZ2-CD1 4.31Å; W80-F123 AromaticContact CZ2-CE1 3.66Å; W80-F123 HydrophobicContact CZ2-CE1 3.66Å; W80-F123 HydrophobicContact CZ2-CE2 4.03Å; W80-F123 AromaticContact CZ2-CZ 3.5Å; W80-F123 HydrophobicContact CZ2-CZ 3.5Å; W80-F123 VanDerWaalsContact CZ2-CZ 3.5Å
81C98.5Very high98.6Very high0 Ų037.5 Ų37.50%019%0.191CC..G310 helixtrans-50.6-35.5-175.4-540000114.8H83 H84 T114 F116C81-H83 PolarHBondContact O-N 3.45Å; C81-H84 PolarHBondContact O-CD2 2.93Å; C81-T114 WeakPolarHBondContact CB-O 3.41Å; C81-T114 PolarHBondContact SG-O 2.9Å; C81-T114 VanDerWaalsContact SG-O 3.41Å; C81-F116 HydrophobicContact CB-CB 4.01Å; C81-F116 HydrophobicContact CB-CD1 3.77Å; C81-F116 HydrophobicContact CB-CD2 3.18Å; C81-F116 HydrophobicContact CB-CE1 3.92Å; C81-F116 HydrophobicContact CB-CE2 3.35Å; C81-F116 HydrophobicContact CB-CG 3.37Å; C81-F116 HydrophobicContact CB-CZ 3.71Å; C81-F116 PolarHBondContact O-N 3.32Å; C81-F116 VanDerWaalsContact SG-CE2 3.57Å; C81-F116 VanDerWaalsContact SG-CZ 3.58Å
82T98.4Very high98.6Very high5 Ų532 Ų323%0.03117%0.168CC..G310 helixtrans-76.41.7-179.7570000114.2W80 F116 P118 D121 P124W80-T82 PolarHBondContact O-N 3.06Å; W80-T82 VanDerWaalsContact O-N 3.09Å; T82-F116 HydrophobicContact CG2-CB 3.84Å; T82-F116 HydrophobicContact CG2-CD2 4.29Å; T82-P118 WeakPolarHBondContact O-CA 3.47Å; T82-D121 WeakPolarHBondContact CG2-O 3.41Å; T82-P124 HydrophobicContact CG2-CG 4.35Å
83H98.5Very high98.6Very high47 Ų4728.3 Ų28.322%0.21815%0.149CC..G310 helixtrans-122.623.6-178.1-60.878.1000112.2L79 W80 C81 E85 L88 V89 A92L79-H83 HydrophobicContact CD1-CB 3.61Å; L79-H83 HydrophobicContact CG-CB 4.33Å; W80-H83 PolarHBondContact O-N 3.26Å; C81-H83 PolarHBondContact O-N 3.45Å; H83-E85 VanDerWaalsContact C-N 3.34Å; H83-L88 HydrophobicContact CB-CB 4.36Å; H83-V89 WeakPolarHBondContact O-CG2 3.41Å; H83-A92 HydrophobicContact CB-CB 3.92Å
84H98.6Very high98.6Very high1 Ų132.7 Ų32.71%0.00517%0.169CC..  trans-75.2-19.8-179.4-81.3-148.9000114.2W80 C81 K86 W112 G115 T141W80-H84 PolarHBondContact O-CD2 2.79Å; C81-H84 PolarHBondContact O-CD2 2.93Å; H84-K86 PolarHBondContact O-N 3.25Å; H84-W112 PolarHBondContact CE1-O 3.3Å; H84-W112 PolarHBondContact NE2-O 2.89Å; H84-G115 VanDerWaalsContact ND1-CA 3.32Å; H84-G115 WeakPolarHBondContact ND1-CA 3.44Å; H84-T141 HydrophobicContact CB-CG2 4.31Å; H84-T141 PolarHBondContact O-OG1 3.11Å
85E98.3Very high98.6Very high73 Ų7336.9 Ų36.934%0.34119%0.187SC..SBendtrans-61.5131.5173.5-63.3-175.2-174.700109.5H83 D87 L88 V89 P118 S136H83-E85 VanDerWaalsContact C-N 3.34Å; E85-D87 PolarHBondContact O-N 2.94Å; E85-D87 VanDerWaalsContact O-N 3.11Å; E85-L88 HydrophobicContact CB-CD1 4.02Å; E85-L88 HydrophobicContact CB-CG 4.14Å; E85-L88 WeakPolarHBondContact O-CB 3.43Å; E85-L88 PolarHBondContact O-N 2.71Å; E85-V89 PolarHBondContact O-N 3.02Å; E85-P118 VanDerWaalsContact OE1-CD 3.31Å; E85-P118 WeakPolarHBondContact OE1-CD 3.41Å; E85-P118 VanDerWaalsContact OE1-CG 3.26Å; E85-P118 WeakPolarHBondContact OE1-CG 3.37Å; E85-S136 WeakPolarHBondContact CA-OG 3.43Å; E85-S136 WeakPolarHBondContact CG-OG 3.39Å
86K97.6Very high98.6Very high94 Ų9436.9 Ų36.941%0.40919%0.187SC..Hα-helixtrans-47.5-47.1-171.7-74.6-177177.2166.70112.9H84 L88 V89 D140 A144H84-K86 PolarHBondContact O-N 3.25Å; K86-L88 PolarHBondContact O-N 2.89Å; K86-V89 PolarHBondContact O-N 3.26Å; K86-D140 HydrophobicContact CD-CB 4.5Å; K86-D140 VanDerWaalsContact CE-CG 3.46Å; K86-D140 WeakPolarHBondContact CE-O 3.34Å; K86-D140 WeakPolarHBondContact CE-OD1 3.29Å; K86-D140 HydrophobicContact CG-CB 4.49Å; K86-D140 WeakPolarHBondContact CG-O 3.19Å; K86-D140 IonicContact NZ-OD1 3.26Å; K86-D140 PolarHBondContact NZ-OD1 2.92Å; K86-A144 HydrophobicContact CB-CB 4.22Å; K86-A144 HydrophobicContact CG-CB 4.26Å
87D97.6Very high98.6Very high160 Ų16037.4 Ų37.486%0.85619%0.19SC*.Hα-helixtrans-68.8-16.6-175.7-60.7-19.8000113.3E85E85-D87 PolarHBondContact O-N 2.94Å; E85-D87 VanDerWaalsContact O-N 3.11Å
88L98.5Very high98.6Very high60 Ų6041.3 Ų41.331%0.31422%0.217SC..Hα-helixtrans-91.8-21.8178.7-59.7-179000113.3H83 E85 K86 K90 G91 A92 P118H83-L88 HydrophobicContact CB-CB 4.36Å; E85-L88 HydrophobicContact CB-CD1 4.02Å; E85-L88 HydrophobicContact CB-CG 4.14Å; E85-L88 WeakPolarHBondContact O-CB 3.43Å; E85-L88 PolarHBondContact O-N 2.71Å; K86-L88 PolarHBondContact O-N 2.89Å; L88-K90 PolarHBondContact O-N 3.14Å; L88-G91 PolarHBondContact O-N 3.03Å; L88-A92 WeakPolarHBondContact O-CB 3.2Å; L88-A92 PolarHBondContact O-N 3.29Å; L88-P118 HydrophobicContact CD1-CB 3.67Å
89V98.8Very high98.6Very high0 Ų042.5 Ų42.50%022%0.223CC..Hα-helixtrans-58-48-172.8172.50000111.9L79 H83 E85 K86 A92 C93 T141 A144 M145 L148L79-V89 HydrophobicContact CD1-CG1 4.49Å; L79-V89 HydrophobicContact CD2-CG1 4.27Å; L79-V89 HydrophobicContact CD2-CG2 3.89Å; H83-V89 WeakPolarHBondContact O-CG2 3.41Å; E85-V89 PolarHBondContact O-N 3.02Å; K86-V89 PolarHBondContact O-N 3.26Å; V89-A92 PolarHBondContact O-N 2.88Å; V89-C93 PolarHBondContact O-N 2.96Å; V89-T141 HydrophobicContact CG2-CG2 3.92Å; V89-A144 HydrophobicContact CB-CB 3.81Å; V89-A144 HydrophobicContact CG1-CB 4.01Å; V89-A144 HydrophobicContact CG2-CB 3.79Å; V89-M145 HydrophobicContact CG1-CG 4.25Å; V89-M145 HydrophobicContact CG1-SD 3.73Å; V89-L148 HydrophobicContact CG1-CD1 3.85Å; V89-L148 HydrophobicContact CG1-CD2 4.49Å; V89-L148 HydrophobicContact CG1-CG 4.29Å
90K98.8Very high98.6Very high78 Ų7842.5 Ų42.534%0.33922%0.223SC..Hα-helixtrans-65.6-45.1179.7-178.5174.9176.5169.10112.5L88 A92 C93 Q94 L148 E151 L153L88-K90 PolarHBondContact O-N 3.14Å; K90-A92 VanDerWaalsContact C-N 3.3Å; K90-A92 PolarHBondContact O-N 2.99Å; K90-C93 PolarHBondContact O-N 3.02Å; K90-Q94 HydrophobicContact CG-CG 4.43Å; K90-Q94 WeakPolarHBondContact O-CB 3.38Å; K90-Q94 WeakPolarHBondContact O-CG 3.35Å; K90-Q94 PolarHBondContact O-N 3.1Å; K90-L148 HydrophobicContact CB-CD2 3.94Å; K90-L148 HydrophobicContact CG-CD2 4.16Å; K90-E151 WeakPolarHBondContact CE-OE2 3.27Å; K90-E151 IonicContact NZ-OE1 2.77Å; K90-E151 PolarHBondContact NZ-OE1 3.19Å; K90-E151 IonicContact NZ-OE2 2.97Å; K90-E151 PolarHBondContact NZ-OE2 3.25Å; K90-L153 HydrophobicContact CG-CD1 4.29Å
91G98.8Very high98.6Very high38 Ų3845.2 Ų45.239%0.39224%0.235SC..Hα-helixtrans-59.3-41.5176.500000112.2L88 Q94 K95L88-G91 PolarHBondContact O-N 3.03Å; G91-Q94 PolarHBondContact O-N 3.43Å; G91-K95 WeakPolarHBondContact O-CB 3.3Å; G91-K95 PolarHBondContact O-N 3.11Å
92A98.8Very high98.6Very high13 Ų1345.9 Ų45.911%0.10724%0.239CC..Hα-helixtrans-62.9-45.8175.600000112.2L79 H83 L88 V89 K90 Q94 K95 T96L79-A92 HydrophobicContact CD1-CB 3.59Å; H83-A92 HydrophobicContact CB-CB 3.92Å; L88-A92 WeakPolarHBondContact O-CB 3.2Å; L88-A92 PolarHBondContact O-N 3.29Å; V89-A92 PolarHBondContact O-N 2.88Å; K90-A92 VanDerWaalsContact C-N 3.3Å; K90-A92 PolarHBondContact O-N 2.99Å; A92-Q94 PolarHBondContact O-N 3.2Å; A92-K95 PolarHBondContact O-N 2.87Å; A92-T96 PolarHBondContact O-N 3.16Å; A92-T96 VanDerWaalsContact O-N 3.07Å
93C98.9Very high98.6Very high0 Ų052.7 Ų52.70%028%0.275CS..Hα-helixtrans-61.3-45.5176.1-173.70000111.8V89 K90 K95 T96 L97 Y108 L148V89-C93 PolarHBondContact O-N 2.96Å; K90-C93 PolarHBondContact O-N 3.02Å; C93-K95 VanDerWaalsContact C-N 3.3Å; C93-K95 PolarHBondContact O-N 3.28Å; C93-T96 PolarHBondContact O-N 3.3Å; C93-L97 WeakPolarHBondContact O-CG 3.35Å; C93-L97 PolarHBondContact O-N 3.09Å; C93-Y108 HydrophobicContact CB-CD1 4.37Å; C93-Y108 HydrophobicContact CB-CE1 3.81Å; C93-L148 HydrophobicContact CB-CD1 3.84Å; C93-L148 HydrophobicContact CB-CD2 4.25Å
94Q98.9Very high98.7Very high95 Ų9552.6 Ų52.644%0.44427%0.273SS..Hα-helixtrans-63.2-36.7178.4-73.1177.2-33.200112.2K90 G91 A92 L97 S98 L153K90-Q94 HydrophobicContact CG-CG 4.43Å; K90-Q94 WeakPolarHBondContact O-CB 3.38Å; K90-Q94 WeakPolarHBondContact O-CG 3.35Å; K90-Q94 PolarHBondContact O-N 3.1Å; G91-Q94 PolarHBondContact O-N 3.43Å; A92-Q94 PolarHBondContact O-N 3.2Å; Q94-L97 PolarHBondContact O-N 2.89Å; Q94-S98 WeakPolarHBondContact O-CB 3.42Å; Q94-S98 PolarHBondContact O-N 2.87Å; Q94-L153 HydrophobicContact CG-CD1 4.23Å
95K98.8Very high98.7Very high96 Ų9652.5 Ų52.542%0.41727%0.273SS..Hα-helixtrans-61.8-48.3173.3175.853.9179.2150.90111.3G91 A92 C93 L97 S98 D99G91-K95 WeakPolarHBondContact O-CB 3.3Å; G91-K95 PolarHBondContact O-N 3.11Å; A92-K95 PolarHBondContact O-N 2.87Å; C93-K95 VanDerWaalsContact C-N 3.3Å; C93-K95 PolarHBondContact O-N 3.28Å; K95-L97 PolarHBondContact O-N 3.42Å; K95-S98 WeakPolarHBondContact O-CB 3.37Å; K95-S98 PolarHBondContact O-N 3.03Å; K95-D99 WeakPolarHBondContact CE-OD2 3.4Å; K95-D99 IonicContact NZ-OD1 3.94Å; K95-D99 PolarHBondContact NZ-OD1 2.84Å; K95-D99 IonicContact NZ-OD2 3.3Å; K95-D99 PolarHBondContact NZ-OD2 3.39Å; K95-D99 PolarHBondContact O-N 2.95Å
96T98.9Very high98.7Very high0 Ų049.8 Ų49.80%026%0.261CS..Hα-helixtrans-58.8-44.6174.5-80.20000112.3E52 S77 A92 C93 S98 D99 L100 L105E52-T96 WeakPolarHBondContact OE2-CB 3.03Å; E52-T96 WeakPolarHBondContact OE2-CG2 3.34Å; E52-T96 PolarHBondContact OE2-OG1 3.47Å; S77-T96 WeakPolarHBondContact OG-CG2 3.27Å; A92-T96 PolarHBondContact O-N 3.16Å; A92-T96 VanDerWaalsContact O-N 3.07Å; C93-T96 PolarHBondContact O-N 3.3Å; T96-S98 VanDerWaalsContact C-N 3.34Å; T96-S98 PolarHBondContact O-N 2.86Å; T96-D99 PolarHBondContact O-N 3.47Å; T96-L100 HydrophobicContact CG2-CD1 3.61Å; T96-L100 HydrophobicContact CG2-CG 4.44Å; T96-L100 WeakPolarHBondContact O-CB 3.47Å; T96-L100 WeakPolarHBondContact O-CG 3.47Å; T96-L100 PolarHBondContact O-N 3.18Å; T96-L105 HydrophobicContact CG2-CD1 3.91Å; T96-L105 HydrophobicContact CG2-CD2 4.27Å
97L98.9Very high98.8Very high12 Ų1245.4 Ų45.46%0.06324%0.242CC..Hα-helixtrans-58.7-45175.8-74.1174.2000111.8C93 Q94 K95 L100 K101 L102 Y104 L105 L153C93-L97 WeakPolarHBondContact O-CG 3.35Å; C93-L97 PolarHBondContact O-N 3.09Å; Q94-L97 PolarHBondContact O-N 2.89Å; K95-L97 PolarHBondContact O-N 3.42Å; L97-L100 PolarHBondContact O-N 3.38Å; L97-K101 WeakPolarHBondContact O-CA 3.47Å; L97-K101 PolarHBondContact O-N 3.47Å; L97-L102 WeakPolarHBondContact CB-O 3.17Å; L97-L102 HydrophobicContact CD2-CB 4.26Å; L97-L102 WeakPolarHBondContact CD2-O 3.22Å; L97-L102 PolarHBondContact O-N 3.01Å; L97-Y104 VanDerWaalsContact CD2-C 3.43Å; L97-L105 HydrophobicContact CD2-CD2 4.27Å; L97-L105 HydrophobicContact CD2-CG 3.84Å; L97-L153 HydrophobicContact CD1-CB 4.16Å; L97-L153 HydrophobicContact CD1-CD2 3.96Å
98S98.9Very high98.8Very high82 Ų8237.9 Ų37.957%0.57320%0.201SC*.Hα-helixtrans-61.3-43.8175.4-179.50000112.3Q94 K95 T96 K101Q94-S98 WeakPolarHBondContact O-CB 3.42Å; Q94-S98 PolarHBondContact O-N 2.87Å; K95-S98 WeakPolarHBondContact O-CB 3.37Å; K95-S98 PolarHBondContact O-N 3.03Å; T96-S98 VanDerWaalsContact C-N 3.34Å; T96-S98 PolarHBondContact O-N 2.86Å; S98-K101 PolarHBondContact O-N 3.1Å
99D98.8Very high98.9Very high24 Ų2435 Ų3513%0.12819%0.186CC..Hα-helixtrans-66.1-46179.5-74.2-24.2000110.6E52 N53 K95 T96 K101E52-D99 HydrophobicContact CB-CB 3.99Å; N53-D99 WeakPolarHBondContact CA-O 3.48Å; N53-D99 HydrophobicContact CB-CB 4.45Å; K95-D99 WeakPolarHBondContact CE-OD2 3.4Å; K95-D99 IonicContact NZ-OD1 3.94Å; K95-D99 PolarHBondContact NZ-OD1 2.84Å; K95-D99 IonicContact NZ-OD2 3.3Å; K95-D99 PolarHBondContact NZ-OD2 3.39Å; K95-D99 PolarHBondContact O-N 2.95Å; T96-D99 PolarHBondContact O-N 3.47Å; D99-K101 PolarHBondContact O-N 2.95Å; D99-K101 PolarHBondContact O-NZ 3.02Å
100L98.8Very high98.9Very high0 Ų035 Ų350%019%0.186CC..Hα-helixtrans-71.6-11.9177.6-68.6167.9000113.7E52 V55 G56 I75 T96 L97 L102 L105E52-L100 HydrophobicContact CB-CD2 4.09Å; E52-L100 HydrophobicContact CB-CG 4.19Å; E52-L100 WeakPolarHBondContact O-CD2 3.25Å; V55-L100 HydrophobicContact CB-CD2 3.96Å; V55-L100 HydrophobicContact CG1-CD2 3.86Å; G56-L100 WeakPolarHBondContact CA-O 3.13Å; I75-L100 HydrophobicContact CG2-CD1 4.07Å; T96-L100 HydrophobicContact CG2-CD1 3.61Å; T96-L100 HydrophobicContact CG2-CG 4.44Å; T96-L100 WeakPolarHBondContact O-CB 3.47Å; T96-L100 WeakPolarHBondContact O-CG 3.47Å; T96-L100 PolarHBondContact O-N 3.18Å; L97-L100 PolarHBondContact O-N 3.38Å; L100-L102 VanDerWaalsContact C-N 3.33Å; L100-L102 HydrophobicContact CB-CB 4.43Å; L100-L102 HydrophobicContact CB-CD1 3.93Å; L100-L102 HydrophobicContact CB-CG 3.94Å; L100-L102 HydrophobicContact CD1-CD1 4.48Å; L100-L105 HydrophobicContact CD1-CD2 3.61Å
101K98.7Very high98.9Very high71 Ų7131.8 Ų31.831%0.30917%0.173SC..THydrogen-bonded Turntrans58.543.4-174.3-59.6145.9-169.462.10111.9N53 L57 L97 S98 D99N53-K101 PolarHBondContact O-NZ 3.07Å; N53-K101 PolarHBondContact OD1-NZ 3.11Å; L57-K101 HydrophobicContact CD2-CD 4.34Å; L97-K101 WeakPolarHBondContact O-CA 3.47Å; L97-K101 PolarHBondContact O-N 3.47Å; S98-K101 PolarHBondContact O-N 3.1Å; D99-K101 PolarHBondContact O-N 2.95Å; D99-K101 PolarHBondContact O-NZ 3.02Å
102L98.8Very high98.9Very high14 Ų1430.7 Ų30.77%0.07316%0.157CC..  trans-123.8149.6-177.9-61.9179.6000110.8I59 I75 L97 L100I59-L102 HydrophobicContact CG2-CD2 4.13Å; I75-L102 HydrophobicContact CB-CD1 4.14Å; I75-L102 HydrophobicContact CG1-CD1 3.95Å; I75-L102 HydrophobicContact CG2-CD1 4Å; L97-L102 WeakPolarHBondContact CB-O 3.17Å; L97-L102 HydrophobicContact CD2-CB 4.26Å; L97-L102 WeakPolarHBondContact CD2-O 3.22Å; L97-L102 PolarHBondContact O-N 3.01Å; L100-L102 VanDerWaalsContact C-N 3.33Å; L100-L102 HydrophobicContact CB-CB 4.43Å; L100-L102 HydrophobicContact CB-CD1 3.93Å; L100-L102 HydrophobicContact CB-CG 3.94Å; L100-L102 HydrophobicContact CD1-CD1 4.48Å
103D98.7Very high98.8Very high149 Ų14930.1 Ų30.180%0.79715%0.152SC*.SBendtrans-83.9-21.7173.4-58.5-42.2000112.5
104Y98.9Very high98.8Very high44 Ų4430.1 Ų30.117%0.17315%0.152CC..  trans-150.8156.8177.972.9-90.2000112.9R70 L97 L153 K155R70-Y104 HydrophobicContact CG-CE1 3.9Å; R70-Y104 PolarHBondContact NH1-OH 3.34Å; R70-Y104 PolarHBondContact NH2-O 3.4Å; L97-Y104 VanDerWaalsContact CD2-C 3.43Å; Y104-L153 CarbonylContact C-O 3.51Å; Y104-L153 WeakPolarHBondContact CA-O 3.43Å; Y104-K155 HydrophobicContact CD2-CD 4.11Å; Y104-K155 VanDerWaalsContact CD2-CE 3.44Å; Y104-K155 HydrophobicContact CD2-CG 3.6Å; Y104-K155 HydrophobicContact CE2-CD 4.43Å; Y104-K155 HydrophobicContact CE2-CG 3.82Å
105L98.9Very high98.8Very high0 Ų025.6 Ų25.60%013%0.131CC..BIsolated β-bridgetrans-100.6146.5166.2-62.8174000111.2I75 T96 L97 L100 Y108 L153 V154 K155I75-L105 HydrophobicContact CG2-CD2 4.03Å; T96-L105 HydrophobicContact CG2-CD1 3.91Å; T96-L105 HydrophobicContact CG2-CD2 4.27Å; L97-L105 HydrophobicContact CD2-CD2 4.27Å; L97-L105 HydrophobicContact CD2-CG 3.84Å; L100-L105 HydrophobicContact CD1-CD2 3.61Å; L105-Y108 HydrophobicContact CD1-CD2 3.36Å; L105-Y108 HydrophobicContact CD1-CE2 3.99Å; L105-Y108 HydrophobicContact CD1-CG 3.96Å; L105-L153 PolarHBondContact N-O 2.99Å; L105-V154 HydrophobicContact CB-CG1 4.19Å; L105-V154 HydrophobicContact CD1-CG1 4.42Å; L105-V154 CarbonylContact O-C 3.54Å; L105-V154 WeakPolarHBondContact O-CA 3.38Å; L105-K155 PolarHBondContact O-N 2.89Å
106D98.9Very high98.7Very high16 Ų1621.1 Ų21.19%0.08611%0.111CC..SBendtrans-75.1-32.9174.6-61.2-83.7000111.2R70 F74 I75 A156R70-D106 IonicContact CZ-OD2 2.75Å; R70-D106 VanDerWaalsContact CZ-OD2 3.26Å; R70-D106 IonicContact NH1-OD1 2.65Å; R70-D106 IonicContact NH1-OD2 3.7Å; R70-D106 PolarHBondContact NH1-OD2 3.04Å; R70-D106 IonicContact NH2-OD2 2.64Å; R70-D106 PolarHBondContact NH2-OD2 3.4Å; F74-D106 WeakPolarHBondContact CA-OD2 3.41Å; F74-D106 HydrophobicContact CB-CB 4.44Å; F74-D106 HydrophobicContact CD1-CB 3.76Å; F74-D106 HydrophobicContact CD2-CB 3.78Å; F74-D106 HydrophobicContact CE1-CB 3.8Å; F74-D106 HydrophobicContact CE2-CB 3.83Å; F74-D106 HydrophobicContact CG-CB 3.74Å; F74-D106 HydrophobicContact CZ-CB 3.83Å; I75-D106 PolarHBondContact N-OD2 3.33Å; I75-D106 PolarHBondContact O-N 3.25Å; D106-A156 WeakPolarHBondContact O-CB 3.44Å; D106-A156 PolarHBondContact O-N 3.01Å; D106-A156 VanDerWaalsContact O-N 3.11Å
107L98.9Very high98.7Very high1 Ų126.5 Ų26.51%0.00514%0.135CC..EExtended strand (participates in β ladder)trans-147.5132.9176.1178.163.9000111M13 F74 I75 V76 S77 L109 A156 V182M13-L107 HydrophobicContact CE-CD2 3.78Å; M13-L107 HydrophobicContact SD-CD2 4.09Å; F74-L107 HydrophobicContact CE1-CB 3.64Å; F74-L107 HydrophobicContact CE1-CD2 4.22Å; F74-L107 HydrophobicContact CZ-CB 4.01Å; I75-L107 PolarHBondContact O-N 3.48Å; V76-L107 WeakPolarHBondContact CA-O 3.37Å; V76-L107 HydrophobicContact CB-CB 4.5Å; V76-L107 HydrophobicContact CG1-CB 4.21Å; V76-L107 HydrophobicContact CG1-CD2 3.96Å; V76-L107 HydrophobicContact CG1-CG 4.07Å; V76-L107 HydrophobicContact CG2-CB 4.08Å; V76-L107 HydrophobicContact CG2-CD2 4.04Å; S77-L107 PolarHBondContact N-O 3.47Å; S77-L107 VanDerWaalsContact N-O 3.1Å; L107-L109 HydrophobicContact CD1-CD2 3.74Å; L107-L109 HydrophobicContact CD2-CD2 3.85Å; L107-L109 HydrophobicContact CD2-CG 4.42Å; L107-L109 HydrophobicContact CG-CD2 3.64Å; L107-L109 HydrophobicContact CG-CG 4.19Å; L107-A156 WeakPolarHBondContact CA-O 3.33Å; L107-A156 HydrophobicContact CD1-CB 3.95Å; L107-V182 HydrophobicContact CD1-CB 4.49Å; L107-V182 HydrophobicContact CD1-CG2 4.41Å; L107-V182 HydrophobicContact CD2-CB 3.94Å; L107-V182 HydrophobicContact CD2-CG1 4.26Å; L107-V182 HydrophobicContact CD2-CG2 3.69Å
108Y98.9Very high98.7Very high2 Ų228.1 Ų28.11%0.00815%0.146CC..EExtended strand (participates in β ladder)trans-122.9127.9172.1-162.6-129.6000110.8S77 L79 C93 L105 M145 L148 V154 A156 I157 G158S77-Y108 VanDerWaalsContact C-CD2 3.41Å; S77-Y108 WeakPolarHBondContact O-CA 3.39Å; S77-Y108 WeakPolarHBondContact O-CD2 3.23Å; L79-Y108 WeakPolarHBondContact CA-OH 3.26Å; L79-Y108 HydrophobicContact CB-CE1 3.86Å; L79-Y108 HydrophobicContact CD1-CE1 4.32Å; C93-Y108 HydrophobicContact CB-CD1 4.37Å; C93-Y108 HydrophobicContact CB-CE1 3.81Å; L105-Y108 HydrophobicContact CD1-CD2 3.36Å; L105-Y108 HydrophobicContact CD1-CE2 3.99Å; L105-Y108 HydrophobicContact CD1-CG 3.96Å; Y108-M145 HydrophobicContact CD1-CE 3.4Å; Y108-M145 VanDerWaalsContact CD1-CE 3.4Å; Y108-M145 HydrophobicContact CD1-SD 3.74Å; Y108-M145 HydrophobicContact CE1-CE 4.14Å; Y108-M145 HydrophobicContact CE1-SD 3.97Å; Y108-M145 HydrophobicContact CG-CE 4.04Å; Y108-M145 WeakPolarHBondContact O-CE 3.17Å; Y108-L148 HydrophobicContact CD1-CD1 3.66Å; Y108-L148 HydrophobicContact CE1-CD1 3.92Å; Y108-V154 HydrophobicContact CD1-CG1 4.42Å; Y108-V154 HydrophobicContact CG-CG1 4.2Å; Y108-A156 PolarHBondContact N-O 2.88Å; Y108-I157 VanDerWaalsContact O-CA 3.31Å; Y108-I157 WeakPolarHBondContact O-CA 3.43Å; Y108-G158 PolarHBondContact O-N 3.45Å
109L99Very high98.5Very high0 Ų026.3 Ų26.30%014%0.141CC..EExtended strand (participates in β ladder)trans-110.2141.7-172.1-54.5-179.7000111.5V76 S77 K78 L79 L107 H111 G158 V182 Q184V76-L109 HydrophobicContact CG1-CD1 3.92Å; V76-L109 HydrophobicContact CG1-CG 4.07Å; S77-L109 PolarHBondContact O-N 2.94Å; K78-L109 CarbonylContact C-O 3.6Å; K78-L109 VanDerWaalsContact CA-O 3.23Å; K78-L109 WeakPolarHBondContact CA-O 3.43Å; K78-L109 HydrophobicContact CB-CB 4.42Å; K78-L109 HydrophobicContact CG-CB 4.19Å; K78-L109 HydrophobicContact CG-CD1 4.43Å; L79-L109 PolarHBondContact N-O 3.15Å; L107-L109 HydrophobicContact CD1-CD2 3.74Å; L107-L109 HydrophobicContact CD2-CD2 3.85Å; L107-L109 HydrophobicContact CD2-CG 4.42Å; L107-L109 HydrophobicContact CG-CD2 3.64Å; L107-L109 HydrophobicContact CG-CG 4.19Å; L109-H111 PolarHBondContact O-N 2.95Å; L109-G158 CarbonylContact C-O 3.45Å; L109-G158 VanDerWaalsContact CA-O 3.27Å; L109-G158 WeakPolarHBondContact CA-O 3.36Å; L109-G158 VanDerWaalsContact CD2-C 3.42Å; L109-G158 VanDerWaalsContact CD2-CA 3.45Å; L109-V182 HydrophobicContact CD2-CB 4.37Å; L109-Q184 HydrophobicContact CD1-CB 3.81Å
110I98.9Very high98.2Very high0 Ų033.2 Ų33.20%018%0.177CC..EExtended strand (participates in β ladder)trans-67.1115.7154.9-59.2-177.4000106.9W112 T141 W142 M145 G158 V159 S160 F162I110-W112 VanDerWaalsContact CG2-O 3.26Å; I110-W112 WeakPolarHBondContact CG2-O 3.34Å; I110-W112 PolarHBondContact O-N 2.98Å; I110-T141 HydrophobicContact CD1-CG2 3.9Å; I110-T141 HydrophobicContact CG1-CG2 4.36Å; I110-W142 HydrophobicContact CD1-CE3 3.87Å; I110-W142 HydrophobicContact CG1-CE3 4.45Å; I110-M145 HydrophobicContact CD1-CG 4.24Å; I110-M145 HydrophobicContact CG1-CE 4.27Å; I110-M145 HydrophobicContact CG1-CG 4Å; I110-M145 HydrophobicContact CG1-SD 4.37Å; I110-G158 PolarHBondContact N-O 2.83Å; I110-V159 HydrophobicContact CB-CG1 4.5Å; I110-V159 CarbonylContact O-C 2.99Å; I110-S160 PolarHBondContact O-N 2.74Å; I110-F162 HydrophobicContact CB-CE2 4.15Å; I110-F162 HydrophobicContact CB-CZ 4.21Å; I110-F162 HydrophobicContact CD1-CZ 4.47Å; I110-F162 HydrophobicContact CG2-CE2 3.86Å; I110-F162 HydrophobicContact CG2-CZ 3.88Å
111H98.8Very high98.1Very high11 Ų1138.8 Ų38.85%0.05121%0.207CC..  trans-68.7-38.4-168-159.3157.9000112.7Y49 K78 L79 W80 L109 S160 N161Y49-H111 AromaticContact CE1-CE1 3.66Å; Y49-H111 AromaticContact CZ-CE1 3.93Å; Y49-H111 PolarHBondContact OH-NE2 3.3Å; K78-H111 HydrophobicContact CB-CB 3.69Å; K78-H111 HydrophobicContact CD-CB 4.37Å; K78-H111 VanDerWaalsContact CD-CD2 3.44Å; K78-H111 WeakPolarHBondContact CD-CD2 3.44Å; L79-H111 WeakPolarHBondContact O-CB 3.5Å; L79-H111 PolarHBondContact O-N 3.37Å; W80-H111 HydrophobicContact CE3-CB 4.19Å; W80-H111 AromaticContact CE3-CG 3.9Å; W80-H111 AromaticContact CE3-ND1 3.44Å; W80-H111 AromaticContact CZ3-CE1 3.99Å; W80-H111 AromaticContact CZ3-ND1 3.79Å; L109-H111 PolarHBondContact O-N 2.95Å; H111-S160 CarbonylContact C-O 3.28Å; H111-S160 CarbonylContact O-C 3.58Å; H111-S160 VanDerWaalsContact O-CB 3.28Å; H111-S160 WeakPolarHBondContact O-CB 3.44Å; H111-N161 PolarHBondContact O-ND2 2.89Å
112W98.7Very high97.8Very high15 Ų1538 Ų386%0.05721%0.205CC..  trans-144.1152175.4-7482.4000108.4W80 H84 I110 T114 N161 L301 P311 F312W80-W112 AromaticContact CZ3-CD1 3.66Å; W80-W112 AromaticContact CZ3-NE1 3.99Å; H84-W112 PolarHBondContact CE1-O 3.3Å; H84-W112 PolarHBondContact NE2-O 2.89Å; I110-W112 VanDerWaalsContact CG2-O 3.26Å; I110-W112 WeakPolarHBondContact CG2-O 3.34Å; I110-W112 PolarHBondContact O-N 2.98Å; W112-T114 PolarHBondContact O-N 2.99Å; W112-N161 HydrophobicContact CD2-CB 3.75Å; W112-N161 HydrophobicContact CE3-CB 3.45Å; W112-N161 VanDerWaalsContact CE3-CB 3.45Å; W112-N161 HydrophobicContact CG-CB 4.41Å; W112-N161 HydrophobicContact CH2-CB 4.08Å; W112-N161 WeakPolarHBondContact CH2-OD1 3.23Å; W112-N161 HydrophobicContact CZ2-CB 4.36Å; W112-N161 WeakPolarHBondContact CZ2-ND2 3.15Å; W112-N161 HydrophobicContact CZ3-CB 3.64Å; W112-N161 PolarHBondContact NE1-ND2 2.92Å; W112-L301 HydrophobicContact CD2-CD1 3.53Å; W112-L301 HydrophobicContact CD2-CG 4.45Å; W112-L301 VanDerWaalsContact CE2-CD1 3.49Å; W112-L301 HydrophobicContact CE3-CD1 3.79Å; W112-L301 HydrophobicContact CG-CD1 4.07Å; W112-L301 HydrophobicContact CH2-CD1 4.04Å; W112-L301 HydrophobicContact CH2-CG 3.93Å; W112-L301 HydrophobicContact CZ2-CD1 3.78Å; W112-L301 HydrophobicContact CZ2-CG 3.84Å; W112-L301 HydrophobicContact CZ3-CD1 4.03Å; W112-L301 HydrophobicContact CZ3-CG 4.25Å; W112-P311 HydrophobicContact CE3-CG 4.09Å; W112-P311 HydrophobicContact CZ3-CG 3.96Å; W112-F312 AromaticContact CH2-CE2 3.71Å; W112-F312 HydrophobicContact CH2-CE2 3.71Å; W112-F312 AromaticContact CH2-CZ 3.82Å; W112-F312 HydrophobicContact CH2-CZ 3.82Å; W112-F312 AromaticContact CZ3-CE2 3.49Å; W112-F312 HydrophobicContact CZ3-CE2 3.49Å; W112-F312 VanDerWaalsContact CZ3-CE2 3.49Å; W112-F312 AromaticContact CZ3-CZ 3.57Å; W112-F312 HydrophobicContact CZ3-CZ 3.57Å
113P98.4Very high97.7Very high0 Ų041.3 Ų41.30%022%0.22CC..SBendtrans-70.9-12.6176.827.7-34.1000113.6G115 F138 F162 D309 P311P113-G115 PolarHBondContact O-N 2.82Å; P113-F138 HydrophobicContact CB-CD1 4.23Å; P113-F162 HydrophobicContact CB-CD1 4.38Å; P113-F162 HydrophobicContact CB-CD2 3.92Å; P113-F162 HydrophobicContact CB-CE1 4.07Å; P113-F162 HydrophobicContact CB-CE2 3.64Å; P113-F162 HydrophobicContact CB-CG 4.3Å; P113-F162 HydrophobicContact CB-CZ 3.71Å; P113-F162 HydrophobicContact CG-CD2 4.17Å; P113-F162 HydrophobicContact CG-CE2 4.26Å; P113-D309 HydrophobicContact CB-CB 4.43Å; P113-D309 WeakPolarHBondContact CG-O 3.19Å; P113-P311 HydrophobicContact CG-CB 3.94Å; P113-P311 HydrophobicContact CG-CG 4.02Å
114T98.1Very high97.6Very high0 Ų034.7 Ų34.70%019%0.185CC..  trans-86.5105.9-175.154.60000111.7C81 W112 F116 H307 D309C81-T114 WeakPolarHBondContact CB-O 3.41Å; C81-T114 PolarHBondContact SG-O 2.9Å; C81-T114 VanDerWaalsContact SG-O 3.41Å; W112-T114 PolarHBondContact O-N 2.99Å; T114-F116 WeakPolarHBondContact O-CD1 3.33Å; T114-F116 WeakPolarHBondContact O-CE1 3.37Å; T114-F116 VanDerWaalsContact OG1-CE1 3.29Å; T114-F116 WeakPolarHBondContact OG1-CE1 3.29Å; T114-H307 HydrophobicContact CG2-CB 3.98Å; T114-D309 HydrophobicContact CG2-CB 4.32Å
115G98.3Very high97.6Very high1 Ų136.7 Ų36.71%0.0120%0.198CC..  trans-75.6128.6173.400000111.9H84 P113 P133 S134 H307H84-G115 VanDerWaalsContact ND1-CA 3.32Å; H84-G115 WeakPolarHBondContact ND1-CA 3.44Å; P113-G115 PolarHBondContact O-N 2.82Å; G115-P133 CarbonylContact O-C 3.5Å; G115-P133 WeakPolarHBondContact O-CA 3.46Å; G115-S134 PolarHBondContact O-N 2.76Å; G115-H307 PolarHBondContact O-NE2 3.11Å
116F98.3Very high97.4Very high1 Ų139.8 Ų39.80%0.00421%0.214CC..BIsolated β-bridgetrans-104.9157178.4-58-14.5000110.7W80 C81 T82 T114 F123 P124 V131 I132 S134 C304W80-F116 AromaticContact CZ2-CE2 3.93Å; W80-F116 HydrophobicContact CZ2-CE2 3.93Å; C81-F116 HydrophobicContact CB-CB 4.01Å; C81-F116 HydrophobicContact CB-CD1 3.77Å; C81-F116 HydrophobicContact CB-CD2 3.18Å; C81-F116 HydrophobicContact CB-CE1 3.92Å; C81-F116 HydrophobicContact CB-CE2 3.35Å; C81-F116 HydrophobicContact CB-CG 3.37Å; C81-F116 HydrophobicContact CB-CZ 3.71Å; C81-F116 PolarHBondContact O-N 3.32Å; C81-F116 VanDerWaalsContact SG-CE2 3.57Å; C81-F116 VanDerWaalsContact SG-CZ 3.58Å; T82-F116 HydrophobicContact CG2-CB 3.84Å; T82-F116 HydrophobicContact CG2-CD2 4.29Å; T114-F116 WeakPolarHBondContact O-CD1 3.33Å; T114-F116 WeakPolarHBondContact O-CE1 3.37Å; T114-F116 VanDerWaalsContact OG1-CE1 3.29Å; T114-F116 WeakPolarHBondContact OG1-CE1 3.29Å; F116-F123 HydrophobicContact CE2-CD1 4.05Å; F116-F123 HydrophobicContact CE2-CE1 4.23Å; F116-P124 HydrophobicContact CB-CG 3.83Å; F116-V131 HydrophobicContact CB-CG2 4.22Å; F116-V131 HydrophobicContact CD1-CB 4.39Å; F116-V131 HydrophobicContact CD1-CG1 4.1Å; F116-V131 HydrophobicContact CD1-CG2 3.42Å; F116-V131 VanDerWaalsContact CD1-CG2 3.42Å; F116-V131 HydrophobicContact CD2-CG2 3.71Å; F116-V131 HydrophobicContact CE1-CB 4.28Å; F116-V131 HydrophobicContact CE1-CG1 3.88Å; F116-V131 HydrophobicContact CE1-CG2 3.61Å; F116-V131 HydrophobicContact CE2-CG2 3.9Å; F116-V131 HydrophobicContact CG-CG2 3.5Å; F116-V131 VanDerWaalsContact CG-CG2 3.5Å; F116-V131 HydrophobicContact CZ-CG2 3.87Å; F116-I132 WeakPolarHBondContact CA-O 3.45Å; F116-S134 WeakPolarHBondContact O-CB 3.43Å; F116-C304 VanDerWaalsContact CZ-SG 3.53Å
117K98.2Very high97.2Very high113 Ų11343 Ų4349%0.49125%0.252SS..  trans-48128.2172.8177.2-179.8173-175.60110.2P124 I132K117-P124 HydrophobicContact CB-CB 4.42Å; K117-P124 HydrophobicContact CB-CG 4.2Å; K117-I132 HydrophobicContact CB-CB 4.13Å; K117-I132 HydrophobicContact CB-CG2 3.87Å; K117-I132 HydrophobicContact CD-CG2 3.98Å; K117-I132 PolarHBondContact N-O 2.7Å
118P97.8Very high97Very high47 Ų4749.9 Ų49.931%0.30529%0.288SS..  trans-65.7147.118030.6-39000111.3T82 E85 L88T82-P118 WeakPolarHBondContact O-CA 3.47Å; E85-P118 VanDerWaalsContact OE1-CD 3.31Å; E85-P118 WeakPolarHBondContact OE1-CD 3.41Å; E85-P118 VanDerWaalsContact OE1-CG 3.26Å; E85-P118 WeakPolarHBondContact OE1-CG 3.37Å; L88-P118 HydrophobicContact CD1-CB 3.67Å
119G95.3Very high96.8Very high44 Ų4451.4 Ų51.445%0.45431%0.305SS..SBendtrans156.3-174.9179.800000113.3
120N93.2Very high96.7Very high169 Ų16954.3 Ų54.390%0.90432%0.321SS*.SBendtrans-78.8-21.4-179.3-64-28000112.9I122N120-I122 PolarHBondContact O-N 3.24Å
121D95.4Very high96.6Very high117 Ų11754.8 Ų54.863%0.62632%0.323SS*.  trans-76117.9178.5-63.9-35.8000109.9T82 F123 P124T82-D121 WeakPolarHBondContact CG2-O 3.41Å; D121-F123 PolarHBondContact O-N 2.69Å; D121-P124 HydrophobicContact CB-CB 4.47Å
122I94.4Very high96.6Very high53 Ų5356.8 Ų56.827%0.27233%0.334SS..SBendtrans-60.7-38.1179.5-67.1172000111.3V48 W80 N120V48-I122 HydrophobicContact CG2-CB 4.49Å; V48-I122 HydrophobicContact CG2-CD1 4.22Å; V48-I122 HydrophobicContact CG2-CG1 4.45Å; V48-I122 HydrophobicContact CG2-CG2 3.28Å; W80-I122 HydrophobicContact CZ2-CG2 3.89Å; W80-I122 PolarHBondContact NE1-O 3.27Å; N120-I122 PolarHBondContact O-N 3.24Å
123F95.9Very high96.5Very high85 Ų8559.1 Ų59.137%0.37335%0.351SS..SBendtrans-123.387.8175.4-69.4-83000108.2W80 F116 D121 L125 L301W80-F123 AromaticContact CH2-CE1 3.97Å; W80-F123 HydrophobicContact CH2-CE1 3.97Å; W80-F123 HydrophobicContact CH2-CE2 4.49Å; W80-F123 AromaticContact CH2-CZ 3.67Å; W80-F123 HydrophobicContact CH2-CZ 3.67Å; W80-F123 HydrophobicContact CZ2-CD1 4.31Å; W80-F123 AromaticContact CZ2-CE1 3.66Å; W80-F123 HydrophobicContact CZ2-CE1 3.66Å; W80-F123 HydrophobicContact CZ2-CE2 4.03Å; W80-F123 AromaticContact CZ2-CZ 3.5Å; W80-F123 HydrophobicContact CZ2-CZ 3.5Å; W80-F123 VanDerWaalsContact CZ2-CZ 3.5Å; F116-F123 HydrophobicContact CE2-CD1 4.05Å; F116-F123 HydrophobicContact CE2-CE1 4.23Å; D121-F123 PolarHBondContact O-N 2.69Å; F123-L125 HydrophobicContact CB-CD2 4.38Å; F123-L125 PolarHBondContact O-N 3.4Å; F123-L301 HydrophobicContact CE1-CD2 3.89Å; F123-L301 HydrophobicContact CZ-CD2 4.16Å
124P97.3Very high96.4Very high10 Ų1059.3 Ų59.37%0.06535%0.352CS..  trans-71.6110.4176.229.3-32.2000108.4T82 F116 K117 D121 V131 I132T82-P124 HydrophobicContact CG2-CG 4.35Å; F116-P124 HydrophobicContact CB-CG 3.83Å; K117-P124 HydrophobicContact CB-CB 4.42Å; K117-P124 HydrophobicContact CB-CG 4.2Å; D121-P124 HydrophobicContact CB-CB 4.47Å; P124-V131 HydrophobicContact CG-CG2 4.4Å; P124-V131 CarbonylContact O-C 3.42Å; P124-V131 WeakPolarHBondContact O-CA 3.36Å; P124-I132 HydrophobicContact CB-CB 4.45Å; P124-I132 PolarHBondContact O-N 3.46Å
125L97.1Very high96.1Very high85 Ų8567.3 Ų67.345%0.44539%0.39SS..BIsolated β-bridgetrans-106.3146.1-178.1-55.7-178.8000111.5F123 N130 V131F123-L125 HydrophobicContact CB-CD2 4.38Å; F123-L125 PolarHBondContact O-N 3.4Å; L125-N130 CarbonylContact C-O 3.54Å; L125-N130 VanDerWaalsContact CA-O 3.23Å; L125-N130 WeakPolarHBondContact CA-O 3.09Å; L125-V131 HydrophobicContact CD2-CB 4.43Å
126D95.8Very high95.8Very high65 Ų6568.5 Ų68.535%0.34840%0.398SS..  trans-80.6-176.1168.867.817.5000112.1D128 G129 N130 I132D126-D128 PolarHBondContact O-N 2.88Å; D126-D128 WeakPolarHBondContact OD1-CA 3.41Å; D126-D128 PolarHBondContact OD1-N 3.27Å; D126-G129 PolarHBondContact O-N 3Å; D126-G129 PolarHBondContact OD1-N 3.24Å; D126-N130 PolarHBondContact N-O 2.52Å; D126-N130 PolarHBondContact OD1-N 3.44Å; D126-I132 HydrophobicContact CB-CG1 4.11Å
127G95.6Very high95.7Very high85 Ų8570.7 Ų70.788%0.87641%0.41SS*.THydrogen-bonded Turntrans-64.7-18179.600000114.7
128D94.4Very high95.7Very high144 Ų14465.4 Ų65.477%0.7739%0.387SS*.THydrogen-bonded Turntrans-99.70.6-179.5-63.8-41.8000112.1D126D126-D128 PolarHBondContact O-N 2.88Å; D126-D128 WeakPolarHBondContact OD1-CA 3.41Å; D126-D128 PolarHBondContact OD1-N 3.27Å
129G94.7Very high95.7Very high34 Ų3464.2 Ų64.235%0.35138%0.378SS..SBendtrans81.412.1-179.900000114.4D126 S303D126-G129 PolarHBondContact O-N 3Å; D126-G129 PolarHBondContact OD1-N 3.24Å; G129-S303 WeakPolarHBondContact O-CB 3.23Å
130N96.4Very high95.8Very high62 Ų6265.7 Ų65.733%0.33238%0.376SS..  trans-85150.3172.8-53.4-66.5000110.3L125 D126L125-N130 CarbonylContact C-O 3.54Å; L125-N130 VanDerWaalsContact CA-O 3.23Å; L125-N130 WeakPolarHBondContact CA-O 3.09Å; D126-N130 PolarHBondContact N-O 2.52Å; D126-N130 PolarHBondContact OD1-N 3.44Å
131V97.4Very high96.1Very high10 Ų1057.7 Ų57.76%0.06133%0.333CS..BIsolated β-bridgetrans-67.3137.2174.176.40000111F116 P124 L125 P133 S303 C304F116-V131 HydrophobicContact CB-CG2 4.22Å; F116-V131 HydrophobicContact CD1-CB 4.39Å; F116-V131 HydrophobicContact CD1-CG1 4.1Å; F116-V131 HydrophobicContact CD1-CG2 3.42Å; F116-V131 VanDerWaalsContact CD1-CG2 3.42Å; F116-V131 HydrophobicContact CD2-CG2 3.71Å; F116-V131 HydrophobicContact CE1-CB 4.28Å; F116-V131 HydrophobicContact CE1-CG1 3.88Å; F116-V131 HydrophobicContact CE1-CG2 3.61Å; F116-V131 HydrophobicContact CE2-CG2 3.9Å; F116-V131 HydrophobicContact CG-CG2 3.5Å; F116-V131 VanDerWaalsContact CG-CG2 3.5Å; F116-V131 HydrophobicContact CZ-CG2 3.87Å; P124-V131 HydrophobicContact CG-CG2 4.4Å; P124-V131 CarbonylContact O-C 3.42Å; P124-V131 WeakPolarHBondContact O-CA 3.36Å; L125-V131 HydrophobicContact CD2-CB 4.43Å; V131-P133 WeakPolarHBondContact O-CD 3.31Å; V131-S303 PolarHBondContact N-O 2.68Å; V131-C304 HydrophobicContact CG1-CB 4.22Å
132I97.9Very high96.2Very high53 Ų5352.1 Ų52.127%0.27230%0.303SS..  trans-81.2114.3173.5-53.8173.6000107.8F116 K117 P124 D126F116-I132 WeakPolarHBondContact CA-O 3.45Å; K117-I132 HydrophobicContact CB-CB 4.13Å; K117-I132 HydrophobicContact CB-CG2 3.87Å; K117-I132 HydrophobicContact CD-CG2 3.98Å; K117-I132 PolarHBondContact N-O 2.7Å; P124-I132 HydrophobicContact CB-CB 4.45Å; P124-I132 PolarHBondContact O-N 3.46Å; D126-I132 HydrophobicContact CB-CG1 4.11Å
133P97.6Very high96.4Very high63 Ų6350.4 Ų50.441%0.40930%0.297SS..BIsolated β-bridgetrans-72.4157.1-176.830.8-35.3000112.1G115 V131G115-P133 CarbonylContact O-C 3.5Å; G115-P133 WeakPolarHBondContact O-CA 3.46Å; V131-P133 WeakPolarHBondContact O-CD 3.31Å
134S96.3Very high96.6Very high4 Ų446.6 Ų46.63%0.02828%0.281CS..  trans-85.1154.3158.8177.60000109.3G115 F116 S136G115-S134 PolarHBondContact O-N 2.76Å; F116-S134 WeakPolarHBondContact O-CB 3.43Å; S134-S136 PolarHBondContact O-N 3.37Å; S134-S136 WeakPolarHBondContact OG-CB 3.42Å; S134-S136 PolarHBondContact OG-N 3.4Å; S134-S136 VanDerWaalsContact OG-N 3.11Å; S134-S136 PolarHBondContact OG-OG 3.39Å
135E91.4Very high96.7Very high169 Ų16946.1 Ų46.179%0.7928%0.278SS*.SBendtrans-74.4-12.8170.7-62-54.3136.800112.7
136S91.9Very high96.7Very high25 Ų2542.5 Ų42.518%0.17526%0.259CS..  trans-62.7138.1-178.4-65.20000113.1E85 S134E85-S136 WeakPolarHBondContact CA-OG 3.43Å; E85-S136 WeakPolarHBondContact CG-OG 3.39Å; S134-S136 PolarHBondContact O-N 3.37Å; S134-S136 WeakPolarHBondContact OG-CB 3.42Å; S134-S136 PolarHBondContact OG-N 3.4Å; S134-S136 VanDerWaalsContact OG-N 3.11Å; S134-S136 PolarHBondContact OG-OG 3.39Å
137D95.4Very high96.9Very high48 Ų4844.6 Ų44.626%0.25727%0.266SS..  trans-86.8135.5166.8-164.9-40.9000109.4V139 D140 T141 K169D137-V139 PolarHBondContact O-N 2.87Å; D137-V139 VanDerWaalsContact O-N 3.11Å; D137-V139 WeakPolarHBondContact OD1-CG2 3.34Å; D137-V139 PolarHBondContact OD1-N 3.27Å; D137-D140 HydrophobicContact CB-CB 4.43Å; D137-D140 WeakPolarHBondContact O-CA 3.49Å; D137-D140 VanDerWaalsContact O-CB 3.25Å; D137-D140 WeakPolarHBondContact O-CB 3.35Å; D137-D140 PolarHBondContact O-N 3.16Å; D137-T141 PolarHBondContact O-N 3.33Å; D137-T141 VanDerWaalsContact O-N 3.1Å; D137-T141 PolarHBondContact O-OG1 3.47Å; D137-K169 IonicContact OD1-NZ 2.78Å; D137-K169 PolarHBondContact OD1-NZ 3.04Å; D137-K169 IonicContact OD2-NZ 2.71Å; D137-K169 PolarHBondContact OD2-NZ 3.49Å
138F97.9Very high97Very high2 Ų240.6 Ų40.61%0.00923%0.225CC..Hα-helixtrans-63.3-18.3177.661-104.7000113.2P113 D140 T141 W142 F162 Q166 K169 I170 D309P113-F138 HydrophobicContact CB-CD1 4.23Å; F138-D140 VanDerWaalsContact C-N 3.32Å; F138-T141 WeakPolarHBondContact O-CB 3.28Å; F138-T141 PolarHBondContact O-N 3.4Å; F138-W142 WeakPolarHBondContact O-CB 3.37Å; F138-W142 PolarHBondContact O-N 3.38Å; F138-F162 HydrophobicContact CB-CZ 4.28Å; F138-F162 AromaticContact CD2-CE1 3.64Å; F138-F162 HydrophobicContact CD2-CE1 3.64Å; F138-F162 HydrophobicContact CD2-CZ 4.22Å; F138-F162 AromaticContact CE2-CE1 3.92Å; F138-F162 HydrophobicContact CE2-CE1 3.92Å; F138-F162 HydrophobicContact CG-CE1 4.03Å; F138-F162 HydrophobicContact CG-CZ 4.22Å; F138-Q166 HydrophobicContact CE1-CB 4.48Å; F138-Q166 HydrophobicContact CE1-CG 4.11Å; F138-Q166 HydrophobicContact CE2-CB 4.34Å; F138-Q166 HydrophobicContact CZ-CB 3.85Å; F138-Q166 HydrophobicContact CZ-CG 3.86Å; F138-K169 HydrophobicContact CE1-CD 4.45Å; F138-K169 HydrophobicContact CE2-CB 4.22Å; F138-K169 HydrophobicContact CE2-CD 3.88Å; F138-K169 HydrophobicContact CE2-CG 4.46Å; F138-K169 HydrophobicContact CZ-CB 4.3Å; F138-K169 HydrophobicContact CZ-CD 3.57Å; F138-K169 HydrophobicContact CZ-CG 4.49Å; F138-I170 HydrophobicContact CD2-CD1 4.22Å; F138-I170 HydrophobicContact CD2-CG1 4.08Å; F138-I170 HydrophobicContact CE2-CD1 4.47Å; F138-I170 HydrophobicContact CE2-CG1 4.06Å; F138-D309 HydrophobicContact CE1-CB 4.46Å; F138-D309 WeakPolarHBondContact CE1-OD1 3.48Å
139V98.2Very high97.3Very high21 Ų2135 Ų3513%0.12720%0.196CC..Hα-helixtrans-68.3-35.2171.9178.70000111.3D137 W142 A143 K169 K173D137-V139 PolarHBondContact O-N 2.87Å; D137-V139 VanDerWaalsContact O-N 3.11Å; D137-V139 WeakPolarHBondContact OD1-CG2 3.34Å; D137-V139 PolarHBondContact OD1-N 3.27Å; V139-W142 WeakPolarHBondContact O-CB 3.19Å; V139-W142 PolarHBondContact O-N 3.24Å; V139-A143 PolarHBondContact O-N 2.64Å; V139-K169 HydrophobicContact CG2-CB 4.5Å; V139-K169 HydrophobicContact CG2-CD 3.7Å; V139-K169 HydrophobicContact CG2-CG 3.71Å; V139-K173 HydrophobicContact CG1-CB 4.02Å; V139-K173 HydrophobicContact CG1-CD 3.74Å; V139-K173 HydrophobicContact CG1-CG 3.71Å
140D97.5Very high97.5Very high76 Ų7637.1 Ų37.141%0.40620%0.199SC..Hα-helixtrans-72-41.7174.2-92.1-28.9000110.6K86 D137 F138 W142 A143 A144K86-D140 HydrophobicContact CD-CB 4.5Å; K86-D140 VanDerWaalsContact CE-CG 3.46Å; K86-D140 WeakPolarHBondContact CE-O 3.34Å; K86-D140 WeakPolarHBondContact CE-OD1 3.29Å; K86-D140 HydrophobicContact CG-CB 4.49Å; K86-D140 WeakPolarHBondContact CG-O 3.19Å; K86-D140 IonicContact NZ-OD1 3.26Å; K86-D140 PolarHBondContact NZ-OD1 2.92Å; D137-D140 HydrophobicContact CB-CB 4.43Å; D137-D140 WeakPolarHBondContact O-CA 3.49Å; D137-D140 VanDerWaalsContact O-CB 3.25Å; D137-D140 WeakPolarHBondContact O-CB 3.35Å; D137-D140 PolarHBondContact O-N 3.16Å; F138-D140 VanDerWaalsContact C-N 3.32Å; D140-W142 VanDerWaalsContact C-N 3.26Å; D140-W142 PolarHBondContact O-N 3Å; D140-A143 WeakPolarHBondContact O-CB 3.29Å; D140-A143 PolarHBondContact O-N 2.71Å; D140-A144 PolarHBondContact O-N 2.85Å
141T98.8Very high97.6Very high0 Ų038.5 Ų38.50%020%0.204CC..Hα-helixtrans-57-40.5168.6-47.40000111.4L79 H84 V89 I110 D137 F138 A143 A144 M145L79-T141 HydrophobicContact CD2-CG2 3.48Å; L79-T141 VanDerWaalsContact CD2-CG2 3.48Å; H84-T141 HydrophobicContact CB-CG2 4.31Å; H84-T141 PolarHBondContact O-OG1 3.11Å; V89-T141 HydrophobicContact CG2-CG2 3.92Å; I110-T141 HydrophobicContact CD1-CG2 3.9Å; I110-T141 HydrophobicContact CG1-CG2 4.36Å; D137-T141 PolarHBondContact O-N 3.33Å; D137-T141 VanDerWaalsContact O-N 3.1Å; D137-T141 PolarHBondContact O-OG1 3.47Å; F138-T141 WeakPolarHBondContact O-CB 3.28Å; F138-T141 PolarHBondContact O-N 3.4Å; T141-A143 VanDerWaalsContact C-N 3.31Å; T141-A143 PolarHBondContact O-N 3.35Å; T141-A144 PolarHBondContact O-N 3.22Å; T141-A144 VanDerWaalsContact O-N 3.15Å; T141-M145 WeakPolarHBondContact O-CG 3.45Å; T141-M145 PolarHBondContact O-N 3.31Å
142W98.9Very high97.6Very high0 Ų039.6 Ų39.60%022%0.217CC..Hα-helixtrans-60-39.9177.5-169.9-97.5000112.3I110 F138 V139 D140 A144 M145 E146 I157 G158 V159 I170 Y178 P180I110-W142 HydrophobicContact CD1-CE3 3.87Å; I110-W142 HydrophobicContact CG1-CE3 4.45Å; F138-W142 WeakPolarHBondContact O-CB 3.37Å; F138-W142 PolarHBondContact O-N 3.38Å; V139-W142 WeakPolarHBondContact O-CB 3.19Å; V139-W142 PolarHBondContact O-N 3.24Å; D140-W142 VanDerWaalsContact C-N 3.26Å; D140-W142 PolarHBondContact O-N 3Å; W142-A144 VanDerWaalsContact C-N 3.31Å; W142-A144 PolarHBondContact O-N 3.45Å; W142-M145 WeakPolarHBondContact O-CA 3.44Å; W142-M145 WeakPolarHBondContact O-CB 3.42Å; W142-M145 PolarHBondContact O-N 3.41Å; W142-M145 VanDerWaalsContact O-N 3.09Å; W142-E146 WeakPolarHBondContact O-CG 3.47Å; W142-E146 PolarHBondContact O-N 3.42Å; W142-I157 HydrophobicContact CD2-CD1 4.46Å; W142-I157 HydrophobicContact CH2-CB 3.97Å; W142-I157 HydrophobicContact CH2-CD1 3.72Å; W142-I157 HydrophobicContact CH2-CG1 3.63Å; W142-I157 HydrophobicContact CZ2-CB 4.49Å; W142-I157 HydrophobicContact CZ2-CD1 3.41Å; W142-I157 VanDerWaalsContact CZ2-CD1 3.41Å; W142-I157 HydrophobicContact CZ2-CG1 3.67Å; W142-I157 HydrophobicContact CZ3-CB 4.49Å; W142-I157 HydrophobicContact CZ3-CD1 4.37Å; W142-I157 HydrophobicContact CZ3-CG1 4.5Å; W142-G158 WeakPolarHBondContact CZ3-O 3.38Å; W142-V159 HydrophobicContact CE3-CG1 4.13Å; W142-V159 HydrophobicContact CZ3-CG1 3.67Å; W142-I170 HydrophobicContact CD2-CD1 4.12Å; W142-I170 HydrophobicContact CD2-CG2 3.67Å; W142-I170 HydrophobicContact CE3-CD1 3.87Å; W142-I170 HydrophobicContact CE3-CG2 4.37Å; W142-I170 HydrophobicContact CG-CD1 4.44Å; W142-I170 HydrophobicContact CG-CG1 4.46Å; W142-I170 HydrophobicContact CG-CG2 3.72Å; W142-I170 HydrophobicContact CZ2-CG2 4.33Å; W142-I170 HydrophobicContact CZ3-CD1 4.49Å; W142-Y178 VanDerWaalsContact CZ2-O 3.31Å; W142-Y178 WeakPolarHBondContact CZ2-O 3.47Å; W142-Y178 PolarHBondContact NE1-O 2.94Å; W142-P180 HydrophobicContact CH2-CB 3.77Å; W142-P180 HydrophobicContact CH2-CG 3.7Å; W142-P180 HydrophobicContact CZ2-CB 4.16Å; W142-P180 HydrophobicContact CZ2-CG 3.72Å; W142-P180 HydrophobicContact CZ3-CB 4.46Å; W142-P180 HydrophobicContact CZ3-CG 4.26Å
143A98.8Very high97.7Very high18 Ų1838.3 Ų38.315%0.14921%0.211CC..Hα-helixtrans-58.6-43.1175.400000111.9V139 D140 T141 M145 E146 E147V139-A143 PolarHBondContact O-N 2.64Å; D140-A143 WeakPolarHBondContact O-CB 3.29Å; D140-A143 PolarHBondContact O-N 2.71Å; T141-A143 VanDerWaalsContact C-N 3.31Å; T141-A143 PolarHBondContact O-N 3.35Å; A143-M145 VanDerWaalsContact C-N 3.33Å; A143-M145 PolarHBondContact O-N 3.27Å; A143-E146 WeakPolarHBondContact O-CB 3.29Å; A143-E146 PolarHBondContact O-N 3.44Å; A143-E147 PolarHBondContact O-N 2.91Å
144A98.8Very high97.7Very high4 Ų435.4 Ų35.43%0.03319%0.192CC..Hα-helixtrans-68.6-31.1175.700000112.5K86 V89 D140 T141 W142 E146 E147 L148K86-A144 HydrophobicContact CB-CB 4.22Å; K86-A144 HydrophobicContact CG-CB 4.26Å; V89-A144 HydrophobicContact CB-CB 3.81Å; V89-A144 HydrophobicContact CG1-CB 4.01Å; V89-A144 HydrophobicContact CG2-CB 3.79Å; D140-A144 PolarHBondContact O-N 2.85Å; T141-A144 PolarHBondContact O-N 3.22Å; T141-A144 VanDerWaalsContact O-N 3.15Å; W142-A144 VanDerWaalsContact C-N 3.31Å; W142-A144 PolarHBondContact O-N 3.45Å; A144-E146 VanDerWaalsContact C-N 3.34Å; A144-E147 PolarHBondContact O-N 3.42Å; A144-L148 PolarHBondContact O-N 3.39Å
145M98.9Very high97.9Very high0 Ų040.2 Ų40.20%021%0.212CC..Hα-helixtrans-65.5-36171.3-64.5-73.4-70.100111.9L79 V89 Y108 I110 T141 W142 A143 E147 L148 I157L79-M145 HydrophobicContact CB-SD 4.39Å; L79-M145 HydrophobicContact CD2-SD 3.99Å; V89-M145 HydrophobicContact CG1-CG 4.25Å; V89-M145 HydrophobicContact CG1-SD 3.73Å; Y108-M145 HydrophobicContact CD1-CE 3.4Å; Y108-M145 VanDerWaalsContact CD1-CE 3.4Å; Y108-M145 HydrophobicContact CD1-SD 3.74Å; Y108-M145 HydrophobicContact CE1-CE 4.14Å; Y108-M145 HydrophobicContact CE1-SD 3.97Å; Y108-M145 HydrophobicContact CG-CE 4.04Å; Y108-M145 WeakPolarHBondContact O-CE 3.17Å; I110-M145 HydrophobicContact CD1-CG 4.24Å; I110-M145 HydrophobicContact CG1-CE 4.27Å; I110-M145 HydrophobicContact CG1-CG 4Å; I110-M145 HydrophobicContact CG1-SD 4.37Å; T141-M145 WeakPolarHBondContact O-CG 3.45Å; T141-M145 PolarHBondContact O-N 3.31Å; W142-M145 WeakPolarHBondContact O-CA 3.44Å; W142-M145 WeakPolarHBondContact O-CB 3.42Å; W142-M145 PolarHBondContact O-N 3.41Å; W142-M145 VanDerWaalsContact O-N 3.09Å; A143-M145 VanDerWaalsContact C-N 3.33Å; A143-M145 PolarHBondContact O-N 3.27Å; M145-E147 VanDerWaalsContact C-N 3.31Å; M145-E147 PolarHBondContact O-N 3.38Å; M145-L148 WeakPolarHBondContact O-CB 3.46Å; M145-L148 PolarHBondContact O-N 2.91Å; M145-L148 HydrophobicContact SD-CD1 3.97Å; M145-I157 HydrophobicContact CB-CD1 4.03Å; M145-I157 HydrophobicContact CB-CG2 4.3Å; M145-I157 HydrophobicContact CE-CB 4.43Å; M145-I157 HydrophobicContact CE-CG2 4.1Å
146E98.9Very high98.2Very high10 Ų1032.3 Ų32.35%0.04718%0.176CC..Hα-helixtrans-62.2-38.6175.1-66175.2129.100111.5W142 A143 A144 L148 V149 D150 I157 K173 L176 K177 Y178W142-E146 WeakPolarHBondContact O-CG 3.47Å; W142-E146 PolarHBondContact O-N 3.42Å; A143-E146 WeakPolarHBondContact O-CB 3.29Å; A143-E146 PolarHBondContact O-N 3.44Å; A144-E146 VanDerWaalsContact C-N 3.34Å; E146-L148 VanDerWaalsContact C-N 3.3Å; E146-L148 PolarHBondContact O-N 2.89Å; E146-V149 WeakPolarHBondContact O-CB 3.43Å; E146-V149 PolarHBondContact O-N 2.74Å; E146-V149 VanDerWaalsContact O-N 3.16Å; E146-D150 PolarHBondContact O-N 3.49Å; E146-I157 HydrophobicContact CG-CD1 3.96Å; E146-K173 IonicContact OE2-NZ 3.04Å; E146-K173 PolarHBondContact OE2-NZ 3.26Å; E146-L176 WeakPolarHBondContact OE1-CD1 3.49Å; E146-K177 WeakPolarHBondContact OE1-CA 3.48Å; E146-K177 WeakPolarHBondContact OE1-CB 3.28Å; E146-K177 PolarHBondContact OE1-N 3.11Å; E146-Y178 HydrophobicContact CB-CD2 3.87Å; E146-Y178 HydrophobicContact CB-CE2 4.45Å; E146-Y178 HydrophobicContact CG-CD2 4.01Å; E146-Y178 PolarHBondContact OE1-N 3.38Å
147E98.9Very high98.5Very high108 Ų10831.1 Ų31.151%0.50517%0.167SC..Hα-helixtrans-62.9-34.1176-65.9174-161.500112.3A143 A144 M145 V149 D150 E151A143-E147 PolarHBondContact O-N 2.91Å; A144-E147 PolarHBondContact O-N 3.42Å; M145-E147 VanDerWaalsContact C-N 3.31Å; M145-E147 PolarHBondContact O-N 3.38Å; E147-V149 PolarHBondContact O-N 2.76Å; E147-D150 WeakPolarHBondContact O-CB 3.29Å; E147-D150 PolarHBondContact O-N 2.93Å; E147-D150 VanDerWaalsContact O-N 3.16Å; E147-E151 WeakPolarHBondContact O-CG 3.42Å; E147-E151 PolarHBondContact O-N 2.88Å
148L98.9Very high98.7Very high2 Ų228.9 Ų28.91%0.0116%0.155CC..Hα-helixtrans-62.1-33.2175.8-54.4-178.2000112.6V89 K90 C93 Y108 A144 M145 E146 G152 L153 V154V89-L148 HydrophobicContact CG1-CD1 3.85Å; V89-L148 HydrophobicContact CG1-CD2 4.49Å; V89-L148 HydrophobicContact CG1-CG 4.29Å; K90-L148 HydrophobicContact CB-CD2 3.94Å; K90-L148 HydrophobicContact CG-CD2 4.16Å; C93-L148 HydrophobicContact CB-CD1 3.84Å; C93-L148 HydrophobicContact CB-CD2 4.25Å; Y108-L148 HydrophobicContact CD1-CD1 3.66Å; Y108-L148 HydrophobicContact CE1-CD1 3.92Å; A144-L148 PolarHBondContact O-N 3.39Å; M145-L148 WeakPolarHBondContact O-CB 3.46Å; M145-L148 PolarHBondContact O-N 2.91Å; M145-L148 HydrophobicContact SD-CD1 3.97Å; E146-L148 VanDerWaalsContact C-N 3.3Å; E146-L148 PolarHBondContact O-N 2.89Å; L148-G152 PolarHBondContact O-N 3.38Å; L148-L153 HydrophobicContact CD2-CD1 4.14Å; L148-L153 PolarHBondContact O-N 3.35Å; L148-V154 HydrophobicContact CB-CG1 4.27Å; L148-V154 HydrophobicContact CB-CG2 3.71Å; L148-V154 HydrophobicContact CD1-CG1 4.49Å; L148-V154 PolarHBondContact O-N 3.37Å
149V98.9Very high98.8Very high27 Ų2728.8 Ų28.816%0.16416%0.155CC..Hα-helixtrans-69.9-45.1175.4-179.30000109.7E146 E147 E151 G152 V154 I157 Y178E146-V149 WeakPolarHBondContact O-CB 3.43Å; E146-V149 PolarHBondContact O-N 2.74Å; E146-V149 VanDerWaalsContact O-N 3.16Å; E147-V149 PolarHBondContact O-N 2.76Å; V149-E151 VanDerWaalsContact C-N 3.26Å; V149-E151 PolarHBondContact O-N 2.77Å; V149-G152 PolarHBondContact O-N 3.48Å; V149-V154 HydrophobicContact CB-CG2 4.48Å; V149-V154 HydrophobicContact CG2-CG2 3.72Å; V149-I157 HydrophobicContact CG2-CB 4.43Å; V149-I157 HydrophobicContact CG2-CD1 4.18Å; V149-I157 HydrophobicContact CG2-CG1 4.06Å; V149-I157 HydrophobicContact CG2-CG2 3.66Å; V149-Y178 HydrophobicContact CB-CD2 3.98Å; V149-Y178 HydrophobicContact CB-CE2 3.67Å; V149-Y178 HydrophobicContact CG1-CD1 4.48Å; V149-Y178 HydrophobicContact CG1-CD2 4.17Å; V149-Y178 HydrophobicContact CG1-CE1 4.05Å; V149-Y178 HydrophobicContact CG1-CE2 3.72Å; V149-Y178 HydrophobicContact CG2-CD2 4.16Å; V149-Y178 HydrophobicContact CG2-CE2 4.37Å
150D98.8Very high98.8Very high78 Ų7827.8 Ų27.842%0.41715%0.149SC..Hα-helixtrans-61.7-35.7179.6-68.5-30000112.7E146 E147 G152 K177 Y178E146-D150 PolarHBondContact O-N 3.49Å; E147-D150 WeakPolarHBondContact O-CB 3.29Å; E147-D150 PolarHBondContact O-N 2.93Å; E147-D150 VanDerWaalsContact O-N 3.16Å; D150-G152 VanDerWaalsContact C-N 3.26Å; D150-G152 PolarHBondContact O-N 3.09Å; D150-K177 WeakPolarHBondContact OD1-CE 3.39Å; D150-K177 IonicContact OD1-NZ 2.69Å; D150-K177 PolarHBondContact OD1-NZ 3.31Å; D150-K177 IonicContact OD2-NZ 2.66Å; D150-K177 PolarHBondContact OD2-NZ 3.11Å; D150-Y178 WeakPolarHBondContact OD1-CE2 3.36Å; D150-Y178 PolarHBondContact OD1-OH 3.29Å
151E98.8Very high98.9Very high90 Ų9024.3 Ų24.342%0.42113%0.13SC..THydrogen-bonded Turntrans-80.1-5.5175.3-67.3-171.6-159.300113.8K90 E147 V149 L153K90-E151 WeakPolarHBondContact CE-OE2 3.27Å; K90-E151 IonicContact NZ-OE1 2.77Å; K90-E151 PolarHBondContact NZ-OE1 3.19Å; K90-E151 IonicContact NZ-OE2 2.97Å; K90-E151 PolarHBondContact NZ-OE2 3.25Å; E147-E151 WeakPolarHBondContact O-CG 3.42Å; E147-E151 PolarHBondContact O-N 2.88Å; V149-E151 VanDerWaalsContact C-N 3.26Å; V149-E151 PolarHBondContact O-N 2.77Å; E151-L153 VanDerWaalsContact C-N 3.26Å; E151-L153 HydrophobicContact CB-CG 4.19Å; E151-L153 PolarHBondContact O-N 3.41Å
152G98.7Very high98.9Very high33 Ų3324.3 Ų24.334%0.3413%0.13SC..THydrogen-bonded Turntrans75.38.7178.500000115.2L148 V149 D150 V154L148-G152 PolarHBondContact O-N 3.38Å; V149-G152 PolarHBondContact O-N 3.48Å; D150-G152 VanDerWaalsContact C-N 3.26Å; D150-G152 PolarHBondContact O-N 3.09Å; G152-V154 VanDerWaalsContact C-N 3.27Å; G152-V154 PolarHBondContact O-N 2.89Å
153L98.9Very high98.9Very high27 Ų2724.7 Ų24.714%0.14113%0.132CC..SBendtrans-69-27.5177.1-62.1-177.3000112K90 Q94 L97 Y104 L105 L148 E151K90-L153 HydrophobicContact CG-CD1 4.29Å; Q94-L153 HydrophobicContact CG-CD1 4.23Å; L97-L153 HydrophobicContact CD1-CB 4.16Å; L97-L153 HydrophobicContact CD1-CD2 3.96Å; Y104-L153 CarbonylContact C-O 3.51Å; Y104-L153 WeakPolarHBondContact CA-O 3.43Å; L105-L153 PolarHBondContact N-O 2.99Å; L148-L153 HydrophobicContact CD2-CD1 4.14Å; L148-L153 PolarHBondContact O-N 3.35Å; E151-L153 VanDerWaalsContact C-N 3.26Å; E151-L153 HydrophobicContact CB-CG 4.19Å; E151-L153 PolarHBondContact O-N 3.41Å
154V98.9Very high98.8Very high2 Ų226.3 Ų26.31%0.01214%0.137CC..BIsolated β-bridgetrans-136.6142.3178.1-510000110.1L105 Y108 L148 V149 G152 I157L105-V154 HydrophobicContact CB-CG1 4.19Å; L105-V154 HydrophobicContact CD1-CG1 4.42Å; L105-V154 CarbonylContact O-C 3.54Å; L105-V154 WeakPolarHBondContact O-CA 3.38Å; Y108-V154 HydrophobicContact CD1-CG1 4.42Å; Y108-V154 HydrophobicContact CG-CG1 4.2Å; L148-V154 HydrophobicContact CB-CG1 4.27Å; L148-V154 HydrophobicContact CB-CG2 3.71Å; L148-V154 HydrophobicContact CD1-CG1 4.49Å; L148-V154 PolarHBondContact O-N 3.37Å; V149-V154 HydrophobicContact CB-CG2 4.48Å; V149-V154 HydrophobicContact CG2-CG2 3.72Å; G152-V154 VanDerWaalsContact C-N 3.27Å; G152-V154 PolarHBondContact O-N 2.89Å; V154-I157 HydrophobicContact CG2-CG2 3.6Å
155K98.8Very high98.8Very high105 Ų10530.6 Ų30.646%0.45716%0.159SC..SBendtrans-86.4-28.4-180-57.3-58-178-168.30113.2Y104 L105Y104-K155 HydrophobicContact CD2-CD 4.11Å; Y104-K155 VanDerWaalsContact CD2-CE 3.44Å; Y104-K155 HydrophobicContact CD2-CG 3.6Å; Y104-K155 HydrophobicContact CE2-CD 4.43Å; Y104-K155 HydrophobicContact CE2-CG 3.82Å; L105-K155 PolarHBondContact O-N 2.89Å
156A98.9Very high98.8Very high2 Ų231.2 Ų31.22%0.01716%0.162CC..  trans-145.4156.3174.300000110.2L7 T9 D106 L107 Y108 A181L7-A156 HydrophobicContact CD1-CB 4.34Å; T9-A156 HydrophobicContact CG2-CB 4.25Å; D106-A156 WeakPolarHBondContact O-CB 3.44Å; D106-A156 PolarHBondContact O-N 3.01Å; D106-A156 VanDerWaalsContact O-N 3.11Å; L107-A156 WeakPolarHBondContact CA-O 3.33Å; L107-A156 HydrophobicContact CD1-CB 3.95Å; Y108-A156 PolarHBondContact N-O 2.88Å; A156-A181 HydrophobicContact CB-CB 4.26Å
157I98.9Very high98.8Very high1 Ų130.8 Ų30.81%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-124.4150.7173.654.6173.2000110.7Y108 W142 M145 E146 V149 V154 A181Y108-I157 VanDerWaalsContact O-CA 3.31Å; Y108-I157 WeakPolarHBondContact O-CA 3.43Å; W142-I157 HydrophobicContact CD2-CD1 4.46Å; W142-I157 HydrophobicContact CH2-CB 3.97Å; W142-I157 HydrophobicContact CH2-CD1 3.72Å; W142-I157 HydrophobicContact CH2-CG1 3.63Å; W142-I157 HydrophobicContact CZ2-CB 4.49Å; W142-I157 HydrophobicContact CZ2-CD1 3.41Å; W142-I157 VanDerWaalsContact CZ2-CD1 3.41Å; W142-I157 HydrophobicContact CZ2-CG1 3.67Å; W142-I157 HydrophobicContact CZ3-CB 4.49Å; W142-I157 HydrophobicContact CZ3-CD1 4.37Å; W142-I157 HydrophobicContact CZ3-CG1 4.5Å; M145-I157 HydrophobicContact CB-CD1 4.03Å; M145-I157 HydrophobicContact CB-CG2 4.3Å; M145-I157 HydrophobicContact CE-CB 4.43Å; M145-I157 HydrophobicContact CE-CG2 4.1Å; E146-I157 HydrophobicContact CG-CD1 3.96Å; V149-I157 HydrophobicContact CG2-CB 4.43Å; V149-I157 HydrophobicContact CG2-CD1 4.18Å; V149-I157 HydrophobicContact CG2-CG1 4.06Å; V149-I157 HydrophobicContact CG2-CG2 3.66Å; V154-I157 HydrophobicContact CG2-CG2 3.6Å; I157-A181 WeakPolarHBondContact O-CB 3.36Å; I157-A181 PolarHBondContact O-N 3.1Å
158G98.9Very high98.8Very high0 Ų028.5 Ų28.50%015%0.149CC..EExtended strand (participates in β ladder)trans-156.1-168.9179.600000112.1Y108 L109 I110 W142 V182Y108-G158 PolarHBondContact O-N 3.45Å; L109-G158 CarbonylContact C-O 3.45Å; L109-G158 VanDerWaalsContact CA-O 3.27Å; L109-G158 WeakPolarHBondContact CA-O 3.36Å; L109-G158 VanDerWaalsContact CD2-C 3.42Å; L109-G158 VanDerWaalsContact CD2-CA 3.45Å; I110-G158 PolarHBondContact N-O 2.83Å; W142-G158 WeakPolarHBondContact CZ3-O 3.38Å; G158-V182 WeakPolarHBondContact CA-O 3.42Å
159V98.9Very high98.8Very high0 Ų032.4 Ų32.40%017%0.166CC..EExtended strand (participates in β ladder)trans-129.7163.8-178.6-65.20000110.8I110 W142 F162 V167 I170 P180 V182 N183 Q184I110-V159 HydrophobicContact CB-CG1 4.5Å; I110-V159 CarbonylContact O-C 2.99Å; W142-V159 HydrophobicContact CE3-CG1 4.13Å; W142-V159 HydrophobicContact CZ3-CG1 3.67Å; V159-F162 HydrophobicContact CB-CB 4.26Å; V159-F162 HydrophobicContact CB-CD1 4.09Å; V159-F162 HydrophobicContact CB-CD2 3.57Å; V159-F162 HydrophobicContact CB-CE1 4.36Å; V159-F162 HydrophobicContact CB-CE2 3.81Å; V159-F162 HydrophobicContact CB-CG 3.71Å; V159-F162 HydrophobicContact CB-CZ 4.22Å; V159-F162 HydrophobicContact CG1-CD1 4.01Å; V159-F162 HydrophobicContact CG1-CD2 4.14Å; V159-F162 HydrophobicContact CG1-CE1 3.91Å; V159-F162 HydrophobicContact CG1-CE2 4Å; V159-F162 HydrophobicContact CG1-CG 4.14Å; V159-F162 HydrophobicContact CG1-CZ 3.89Å; V159-F162 HydrophobicContact CG2-CB 3.91Å; V159-F162 HydrophobicContact CG2-CD1 4.3Å; V159-F162 HydrophobicContact CG2-CD2 4.19Å; V159-F162 HydrophobicContact CG2-CG 3.88Å; V159-V167 HydrophobicContact CG2-CG2 4.39Å; V159-I170 HydrophobicContact CG1-CD1 3.7Å; V159-P180 HydrophobicContact CG2-CB 4.35Å; V159-V182 PolarHBondContact N-O 3.09Å; V159-N183 HydrophobicContact CG2-CB 4.04Å; V159-N183 CarbonylContact O-C 3.5Å; V159-N183 VanDerWaalsContact O-CA 3.27Å; V159-N183 WeakPolarHBondContact O-CA 3.26Å; V159-Q184 PolarHBondContact O-N 2.87Å
160S98.9Very high98.8Very high0 Ų031.1 Ų31.10%016%0.158CC..EExtended strand (participates in β ladder)trans-142140173.7-177.40000110I110 H111 F162 Q184I110-S160 PolarHBondContact O-N 2.74Å; H111-S160 CarbonylContact C-O 3.28Å; H111-S160 CarbonylContact O-C 3.58Å; H111-S160 VanDerWaalsContact O-CB 3.28Å; H111-S160 WeakPolarHBondContact O-CB 3.44Å; S160-F162 VanDerWaalsContact O-CD2 3.23Å; S160-F162 WeakPolarHBondContact O-CD2 3.26Å; S160-F162 PolarHBondContact O-N 2.86Å; S160-Q184 CarbonylContact C-O 3.46Å; S160-Q184 WeakPolarHBondContact CA-O 3.32Å; S160-Q184 WeakPolarHBondContact CB-O 3.44Å; S160-Q184 PolarHBondContact OG-O 3.15Å
161N98.8Very high98.8Very high3 Ų328.8 Ų28.82%0.01615%0.145CC..SBendtrans64.720.8-175-54.8-73.3000114.8H111 W112 Q184 Y210 P311 F312H111-N161 PolarHBondContact O-ND2 2.89Å; W112-N161 HydrophobicContact CD2-CB 3.75Å; W112-N161 HydrophobicContact CE3-CB 3.45Å; W112-N161 VanDerWaalsContact CE3-CB 3.45Å; W112-N161 HydrophobicContact CG-CB 4.41Å; W112-N161 HydrophobicContact CH2-CB 4.08Å; W112-N161 WeakPolarHBondContact CH2-OD1 3.23Å; W112-N161 HydrophobicContact CZ2-CB 4.36Å; W112-N161 WeakPolarHBondContact CZ2-ND2 3.15Å; W112-N161 HydrophobicContact CZ3-CB 3.64Å; W112-N161 PolarHBondContact NE1-ND2 2.92Å; N161-Q184 PolarHBondContact N-O 3.47Å; N161-Y210 WeakPolarHBondContact OD1-CE1 3.29Å; N161-Y210 PolarHBondContact OD1-OH 2.63Å; N161-P311 HydrophobicContact CB-CG 4.46Å; N161-P311 WeakPolarHBondContact O-CB 3.39Å; N161-P311 VanDerWaalsContact O-CG 3.29Å; N161-P311 WeakPolarHBondContact O-CG 3.28Å; N161-F312 HydrophobicContact CB-CZ 4.28Å
162F98.8Very high98.8Very high1 Ų130 Ų300%0.00416%0.155CC..  trans-86.5133.3177.7-80.9-129.1000110.2I110 P113 F138 V159 S160 Q166 V167 I170 N183I110-F162 HydrophobicContact CB-CE2 4.15Å; I110-F162 HydrophobicContact CB-CZ 4.21Å; I110-F162 HydrophobicContact CD1-CZ 4.47Å; I110-F162 HydrophobicContact CG2-CE2 3.86Å; I110-F162 HydrophobicContact CG2-CZ 3.88Å; P113-F162 HydrophobicContact CB-CD1 4.38Å; P113-F162 HydrophobicContact CB-CD2 3.92Å; P113-F162 HydrophobicContact CB-CE1 4.07Å; P113-F162 HydrophobicContact CB-CE2 3.64Å; P113-F162 HydrophobicContact CB-CG 4.3Å; P113-F162 HydrophobicContact CB-CZ 3.71Å; P113-F162 HydrophobicContact CG-CD2 4.17Å; P113-F162 HydrophobicContact CG-CE2 4.26Å; F138-F162 HydrophobicContact CB-CZ 4.28Å; F138-F162 AromaticContact CD2-CE1 3.64Å; F138-F162 HydrophobicContact CD2-CE1 3.64Å; F138-F162 HydrophobicContact CD2-CZ 4.22Å; F138-F162 AromaticContact CE2-CE1 3.92Å; F138-F162 HydrophobicContact CE2-CE1 3.92Å; F138-F162 HydrophobicContact CG-CE1 4.03Å; F138-F162 HydrophobicContact CG-CZ 4.22Å; V159-F162 HydrophobicContact CB-CB 4.26Å; V159-F162 HydrophobicContact CB-CD1 4.09Å; V159-F162 HydrophobicContact CB-CD2 3.57Å; V159-F162 HydrophobicContact CB-CE1 4.36Å; V159-F162 HydrophobicContact CB-CE2 3.81Å; V159-F162 HydrophobicContact CB-CG 3.71Å; V159-F162 HydrophobicContact CB-CZ 4.22Å; V159-F162 HydrophobicContact CG1-CD1 4.01Å; V159-F162 HydrophobicContact CG1-CD2 4.14Å; V159-F162 HydrophobicContact CG1-CE1 3.91Å; V159-F162 HydrophobicContact CG1-CE2 4Å; V159-F162 HydrophobicContact CG1-CG 4.14Å; V159-F162 HydrophobicContact CG1-CZ 3.89Å; V159-F162 HydrophobicContact CG2-CB 3.91Å; V159-F162 HydrophobicContact CG2-CD1 4.3Å; V159-F162 HydrophobicContact CG2-CD2 4.19Å; V159-F162 HydrophobicContact CG2-CG 3.88Å; S160-F162 VanDerWaalsContact O-CD2 3.23Å; S160-F162 WeakPolarHBondContact O-CD2 3.26Å; S160-F162 PolarHBondContact O-N 2.86Å; F162-Q166 HydrophobicContact CB-CB 4.23Å; F162-Q166 HydrophobicContact CD1-CB 3.55Å; F162-Q166 HydrophobicContact CE1-CB 4.25Å; F162-Q166 HydrophobicContact CG-CB 4.17Å; F162-V167 HydrophobicContact CB-CG2 3.77Å; F162-I170 HydrophobicContact CD1-CD1 4.07Å; F162-I170 HydrophobicContact CE1-CD1 3.57Å; F162-I170 HydrophobicContact CZ-CD1 4.38Å; F162-N183 PolarHBondContact O-ND2 3.24Å
163N98.8Very high98.8Very high8 Ų830 Ų304%0.04315%0.145CC..  trans-80.2175.2168.669.437.7000111.6L165 Q166 V167 P311 F316N163-L165 VanDerWaalsContact C-N 3.33Å; N163-L165 PolarHBondContact O-N 3.4Å; N163-L165 WeakPolarHBondContact OD1-CB 3.28Å; N163-L165 PolarHBondContact OD1-N 3.36Å; N163-L165 VanDerWaalsContact OD1-N 3.07Å; N163-Q166 PolarHBondContact ND2-OE1 2.91Å; N163-Q166 PolarHBondContact O-N 3.14Å; N163-Q166 WeakPolarHBondContact OD1-CG 3.07Å; N163-Q166 PolarHBondContact OD1-N 3.2Å; N163-V167 WeakPolarHBondContact O-CG2 3.39Å; N163-V167 PolarHBondContact O-N 2.78Å; N163-P311 WeakPolarHBondContact CB-O 3.42Å; N163-P311 PolarHBondContact ND2-O 2.67Å; N163-F316 HydrophobicContact CB-CD1 4.22Å; N163-F316 HydrophobicContact CB-CE1 4.04Å
164H98.6Very high98.7Very high52 Ų5234.6 Ų34.624%0.24118%0.177CC..Hα-helixtrans-61.5-37.4-175.568-86.6000113.2E168 L196 Y199 E315H164-E168 VanDerWaalsContact O-CB 3.29Å; H164-E168 WeakPolarHBondContact O-CB 3.42Å; H164-E168 PolarHBondContact O-N 2.91Å; H164-L196 HydrophobicContact CB-CD1 4.17Å; H164-Y199 HydrophobicContact CB-CD1 3.96Å; H164-Y199 HydrophobicContact CB-CD2 4.33Å; H164-Y199 HydrophobicContact CB-CE1 4.2Å; H164-Y199 HydrophobicContact CB-CG 4.05Å; H164-E315 PolarHBondContact CE1-O 3.38Å; H164-E315 VanDerWaalsContact CE1-O 3.23Å
165L98.6Very high98.7Very high94 Ų9438 Ų3849%0.49221%0.212SC..Hα-helixtrans-67-40.4178.6-60.9174.7000111.7N163 E168 K169 A314N163-L165 VanDerWaalsContact C-N 3.33Å; N163-L165 PolarHBondContact O-N 3.4Å; N163-L165 WeakPolarHBondContact OD1-CB 3.28Å; N163-L165 PolarHBondContact OD1-N 3.36Å; N163-L165 VanDerWaalsContact OD1-N 3.07Å; L165-E168 PolarHBondContact O-N 2.74Å; L165-K169 WeakPolarHBondContact O-CB 3.45Å; L165-K169 PolarHBondContact O-N 2.83Å; L165-A314 HydrophobicContact CD1-CB 4.38Å
166Q98.8Very high98.7Very high13 Ų1335.2 Ų35.26%0.06120%0.202CC..Hα-helixtrans-70.7-40.8179.4-66.7166.4-33.600111.5F138 F162 N163 E168 K169 I170 D309F138-Q166 HydrophobicContact CE1-CB 4.48Å; F138-Q166 HydrophobicContact CE1-CG 4.11Å; F138-Q166 HydrophobicContact CE2-CB 4.34Å; F138-Q166 HydrophobicContact CZ-CB 3.85Å; F138-Q166 HydrophobicContact CZ-CG 3.86Å; F162-Q166 HydrophobicContact CB-CB 4.23Å; F162-Q166 HydrophobicContact CD1-CB 3.55Å; F162-Q166 HydrophobicContact CE1-CB 4.25Å; F162-Q166 HydrophobicContact CG-CB 4.17Å; N163-Q166 PolarHBondContact ND2-OE1 2.91Å; N163-Q166 PolarHBondContact O-N 3.14Å; N163-Q166 WeakPolarHBondContact OD1-CG 3.07Å; N163-Q166 PolarHBondContact OD1-N 3.2Å; Q166-E168 VanDerWaalsContact C-N 3.33Å; Q166-K169 PolarHBondContact O-N 3.27Å; Q166-I170 PolarHBondContact O-N 3.44Å; Q166-D309 PolarHBondContact NE2-O 3.37Å
167V98.8Very high98.7Very high0 Ų040.8 Ų40.80%023%0.225CC..Hα-helixtrans-60.4-46171175.90000110.1V159 F162 N163 K169 I170 L171 Y199 I205V159-V167 HydrophobicContact CG2-CG2 4.39Å; F162-V167 HydrophobicContact CB-CG2 3.77Å; N163-V167 WeakPolarHBondContact O-CG2 3.39Å; N163-V167 PolarHBondContact O-N 2.78Å; V167-K169 VanDerWaalsContact C-N 3.3Å; V167-K169 PolarHBondContact O-N 3.36Å; V167-I170 PolarHBondContact O-N 2.96Å; V167-L171 HydrophobicContact CG1-CD1 3.97Å; V167-L171 HydrophobicContact CG1-CG 4.26Å; V167-L171 WeakPolarHBondContact O-CG 3.44Å; V167-L171 PolarHBondContact O-N 3Å; V167-Y199 HydrophobicContact CB-CE1 3.98Å; V167-Y199 HydrophobicContact CG1-CE1 3.79Å; V167-I205 HydrophobicContact CG1-CD1 3.5Å; V167-I205 VanDerWaalsContact CG1-CD1 3.5Å
168E98.6Very high98.7Very high61 Ų6143.6 Ų43.629%0.28524%0.236SC..Hα-helixtrans-59.9-40.1178-169.5148-105.700112.4H164 L165 Q166 I170 L171 N172 Y199 R203H164-E168 VanDerWaalsContact O-CB 3.29Å; H164-E168 WeakPolarHBondContact O-CB 3.42Å; H164-E168 PolarHBondContact O-N 2.91Å; L165-E168 PolarHBondContact O-N 2.74Å; Q166-E168 VanDerWaalsContact C-N 3.33Å; E168-I170 VanDerWaalsContact C-N 3.32Å; E168-I170 PolarHBondContact O-N 3.2Å; E168-L171 PolarHBondContact O-N 2.75Å; E168-L171 VanDerWaalsContact O-N 3.16Å; E168-N172 VanDerWaalsContact CG-ND2 3.34Å; E168-N172 WeakPolarHBondContact CG-ND2 3.49Å; E168-N172 WeakPolarHBondContact O-CB 3.32Å; E168-N172 PolarHBondContact O-N 2.71Å; E168-N172 PolarHBondContact O-ND2 2.98Å; E168-Y199 WeakPolarHBondContact CA-OH 3.37Å; E168-Y199 VanDerWaalsContact CB-OH 3.28Å; E168-Y199 WeakPolarHBondContact CB-OH 3.46Å; E168-Y199 PolarHBondContact OE1-OH 3.26Å; E168-R203 IonicContact OE1-NH2 2.7Å; E168-R203 PolarHBondContact OE1-NH2 3.36Å
169K98.6Very high98.7Very high84 Ų8447.6 Ų47.637%0.36525%0.254SS..Hα-helixtrans-60.5-39.9177.1-164.2-172.4178.3-164.70112D137 F138 V139 L165 Q166 V167 K173D137-K169 IonicContact OD1-NZ 2.78Å; D137-K169 PolarHBondContact OD1-NZ 3.04Å; D137-K169 IonicContact OD2-NZ 2.71Å; D137-K169 PolarHBondContact OD2-NZ 3.49Å; F138-K169 HydrophobicContact CE1-CD 4.45Å; F138-K169 HydrophobicContact CE2-CB 4.22Å; F138-K169 HydrophobicContact CE2-CD 3.88Å; F138-K169 HydrophobicContact CE2-CG 4.46Å; F138-K169 HydrophobicContact CZ-CB 4.3Å; F138-K169 HydrophobicContact CZ-CD 3.57Å; F138-K169 HydrophobicContact CZ-CG 4.49Å; V139-K169 HydrophobicContact CG2-CB 4.5Å; V139-K169 HydrophobicContact CG2-CD 3.7Å; V139-K169 HydrophobicContact CG2-CG 3.71Å; L165-K169 WeakPolarHBondContact O-CB 3.45Å; L165-K169 PolarHBondContact O-N 2.83Å; Q166-K169 PolarHBondContact O-N 3.27Å; V167-K169 VanDerWaalsContact C-N 3.3Å; V167-K169 PolarHBondContact O-N 3.36Å; K169-K173 PolarHBondContact O-N 3.43Å
170I98.8Very high98.6Very high0 Ų047.6 Ų47.60%025%0.254CS..Hα-helixtrans-67.9-46.2172.3-66.5173.3000110.6F138 W142 V159 F162 Q166 V167 E168 N172 K173 L176 P180F138-I170 HydrophobicContact CD2-CD1 4.22Å; F138-I170 HydrophobicContact CD2-CG1 4.08Å; F138-I170 HydrophobicContact CE2-CD1 4.47Å; F138-I170 HydrophobicContact CE2-CG1 4.06Å; W142-I170 HydrophobicContact CD2-CD1 4.12Å; W142-I170 HydrophobicContact CD2-CG2 3.67Å; W142-I170 HydrophobicContact CE3-CD1 3.87Å; W142-I170 HydrophobicContact CE3-CG2 4.37Å; W142-I170 HydrophobicContact CG-CD1 4.44Å; W142-I170 HydrophobicContact CG-CG1 4.46Å; W142-I170 HydrophobicContact CG-CG2 3.72Å; W142-I170 HydrophobicContact CZ2-CG2 4.33Å; W142-I170 HydrophobicContact CZ3-CD1 4.49Å; V159-I170 HydrophobicContact CG1-CD1 3.7Å; F162-I170 HydrophobicContact CD1-CD1 4.07Å; F162-I170 HydrophobicContact CE1-CD1 3.57Å; F162-I170 HydrophobicContact CZ-CD1 4.38Å; Q166-I170 PolarHBondContact O-N 3.44Å; V167-I170 PolarHBondContact O-N 2.96Å; E168-I170 VanDerWaalsContact C-N 3.32Å; E168-I170 PolarHBondContact O-N 3.2Å; I170-N172 PolarHBondContact O-N 2.97Å; I170-K173 WeakPolarHBondContact O-CB 3.11Å; I170-K173 PolarHBondContact O-N 2.64Å; I170-L176 HydrophobicContact CG2-CD1 4.12Å; I170-P180 HydrophobicContact CB-CG 4.38Å; I170-P180 HydrophobicContact CG2-CG 3.73Å
171L98.8Very high98.6Very high29 Ų2947.6 Ų47.615%0.15225%0.254CS..Hα-helixtrans-60.7-28.7-179.4-69.6178.7000113.2V167 E168 L176 K179 R203 I205V167-L171 HydrophobicContact CG1-CD1 3.97Å; V167-L171 HydrophobicContact CG1-CG 4.26Å; V167-L171 WeakPolarHBondContact O-CG 3.44Å; V167-L171 PolarHBondContact O-N 3Å; E168-L171 PolarHBondContact O-N 2.75Å; E168-L171 VanDerWaalsContact O-N 3.16Å; L171-L176 HydrophobicContact CD2-CD2 4.49Å; L171-K179 HydrophobicContact CD2-CB 4.22Å; L171-K179 HydrophobicContact CD2-CD 4.45Å; L171-K179 VanDerWaalsContact CD2-CE 3.46Å; L171-K179 HydrophobicContact CD2-CG 4.19Å; L171-R203 HydrophobicContact CD1-CB 4.07Å; L171-R203 HydrophobicContact CD1-CG 3.84Å; L171-I205 HydrophobicContact CD1-CD1 4.29Å; L171-I205 HydrophobicContact CD2-CD1 4.48Å
172N98.6Very high98.7Very high116 Ų11647.5 Ų47.562%0.6225%0.253SS*.THydrogen-bonded Turntrans-94.74.2177.5-68.2-26.8000113.7E168 I170 P174E168-N172 VanDerWaalsContact CG-ND2 3.34Å; E168-N172 WeakPolarHBondContact CG-ND2 3.49Å; E168-N172 WeakPolarHBondContact O-CB 3.32Å; E168-N172 PolarHBondContact O-N 2.71Å; E168-N172 PolarHBondContact O-ND2 2.98Å; I170-N172 PolarHBondContact O-N 2.97Å; N172-P174 WeakPolarHBondContact O-CD 3.34Å
173K98.4Very high98.7Very high33 Ų3347.4 Ų47.414%0.14325%0.253CS..  trans-55.5124.2176176.1-180174.2-87.90109.8V139 E146 K169 I170 G175 L176V139-K173 HydrophobicContact CG1-CB 4.02Å; V139-K173 HydrophobicContact CG1-CD 3.74Å; V139-K173 HydrophobicContact CG1-CG 3.71Å; E146-K173 IonicContact OE2-NZ 3.04Å; E146-K173 PolarHBondContact OE2-NZ 3.26Å; K169-K173 PolarHBondContact O-N 3.43Å; I170-K173 WeakPolarHBondContact O-CB 3.11Å; I170-K173 PolarHBondContact O-N 2.64Å; K173-G175 PolarHBondContact O-N 3.48Å; K173-L176 HydrophobicContact CB-CB 4.39Å; K173-L176 HydrophobicContact CB-CD1 4.37Å; K173-L176 HydrophobicContact CD-CD1 4.42Å; K173-L176 WeakPolarHBondContact O-CB 3.45Å; K173-L176 PolarHBondContact O-N 3.26Å; K173-L176 VanDerWaalsContact O-N 3.08Å
174P98.1Very high98.7Very high123 Ų12347.2 Ų47.280%0.79925%0.252SS*.THydrogen-bonded Turntrans-57.4129.2173.5-25.835.3000111.2N172 L176N172-P174 WeakPolarHBondContact O-CD 3.34Å; P174-L176 VanDerWaalsContact C-N 3.32Å; P174-L176 PolarHBondContact O-N 3.43Å
175G98.2Very high98.7Very high72 Ų7244.9 Ų44.974%0.74224%0.241SC*.THydrogen-bonded Turntrans68.526.6-177.500000114.3K173 K177K173-G175 PolarHBondContact O-N 3.48Å; G175-K177 PolarHBondContact O-N 3.44Å
176L98.8Very high98.7Very high48 Ų4840.4 Ų40.425%0.25122%0.218SC..  trans-51.1121.7170.8-176.270000110.5E146 I170 L171 K173 P174 Y178 K179E146-L176 WeakPolarHBondContact OE1-CD1 3.49Å; I170-L176 HydrophobicContact CG2-CD1 4.12Å; L171-L176 HydrophobicContact CD2-CD2 4.49Å; K173-L176 HydrophobicContact CB-CB 4.39Å; K173-L176 HydrophobicContact CB-CD1 4.37Å; K173-L176 HydrophobicContact CD-CD1 4.42Å; K173-L176 WeakPolarHBondContact O-CB 3.45Å; K173-L176 PolarHBondContact O-N 3.26Å; K173-L176 VanDerWaalsContact O-N 3.08Å; P174-L176 VanDerWaalsContact C-N 3.32Å; P174-L176 PolarHBondContact O-N 3.43Å; L176-Y178 WeakPolarHBondContact CD1-O 3.34Å; L176-K179 HydrophobicContact CD2-CG 3.9Å
177K98.6Very high98.7Very high118 Ų11839.8 Ų39.851%0.51322%0.215SC..  trans-97.3-43.6-178.7-172.3174.6-178.5176.40111.5E146 D150 G175E146-K177 WeakPolarHBondContact OE1-CA 3.48Å; E146-K177 WeakPolarHBondContact OE1-CB 3.28Å; E146-K177 PolarHBondContact OE1-N 3.11Å; D150-K177 WeakPolarHBondContact OD1-CE 3.39Å; D150-K177 IonicContact OD1-NZ 2.69Å; D150-K177 PolarHBondContact OD1-NZ 3.31Å; D150-K177 IonicContact OD2-NZ 2.66Å; D150-K177 PolarHBondContact OD2-NZ 3.11Å; G175-K177 PolarHBondContact O-N 3.44Å
178Y98.8Very high98.7Very high60 Ų6039.9 Ų39.924%0.23522%0.215CC..SBendtrans-128.3123.6178.4-56-67000110W142 E146 V149 D150 L176W142-Y178 VanDerWaalsContact CZ2-O 3.31Å; W142-Y178 WeakPolarHBondContact CZ2-O 3.47Å; W142-Y178 PolarHBondContact NE1-O 2.94Å; E146-Y178 HydrophobicContact CB-CD2 3.87Å; E146-Y178 HydrophobicContact CB-CE2 4.45Å; E146-Y178 HydrophobicContact CG-CD2 4.01Å; E146-Y178 PolarHBondContact OE1-N 3.38Å; V149-Y178 HydrophobicContact CB-CD2 3.98Å; V149-Y178 HydrophobicContact CB-CE2 3.67Å; V149-Y178 HydrophobicContact CG1-CD1 4.48Å; V149-Y178 HydrophobicContact CG1-CD2 4.17Å; V149-Y178 HydrophobicContact CG1-CE1 4.05Å; V149-Y178 HydrophobicContact CG1-CE2 3.72Å; V149-Y178 HydrophobicContact CG2-CD2 4.16Å; V149-Y178 HydrophobicContact CG2-CE2 4.37Å; D150-Y178 WeakPolarHBondContact OD1-CE2 3.36Å; D150-Y178 PolarHBondContact OD1-OH 3.29Å; L176-Y178 WeakPolarHBondContact CD1-O 3.34Å
179K98.5Very high98.7Very high85 Ų8537 Ų3737%0.3720%0.201SC..  trans-72.1155.2174.6-61.6177.372.3-164.30109.9Y8 L171 L176 A181 R203Y8-K179 HydrophobicContact CE1-CB 4.21Å; Y8-K179 WeakPolarHBondContact CE1-O 3.5Å; Y8-K179 VanDerWaalsContact CZ-O 3.29Å; Y8-K179 PolarHBondContact OH-N 2.99Å; Y8-K179 PolarHBondContact OH-O 3.06Å; L171-K179 HydrophobicContact CD2-CB 4.22Å; L171-K179 HydrophobicContact CD2-CD 4.45Å; L171-K179 VanDerWaalsContact CD2-CE 3.46Å; L171-K179 HydrophobicContact CD2-CG 4.19Å; L176-K179 HydrophobicContact CD2-CG 3.9Å; K179-A181 PolarHBondContact O-N 3.19Å; K179-R203 PolarHBondContact NZ-O 2.95Å
180P98.8Very high98.7Very high0 Ų033.5 Ų33.50%019%0.186CC..  trans-59.3123.5169.4-22.332.8000110.9W142 V159 I170 I205W142-P180 HydrophobicContact CH2-CB 3.77Å; W142-P180 HydrophobicContact CH2-CG 3.7Å; W142-P180 HydrophobicContact CZ2-CB 4.16Å; W142-P180 HydrophobicContact CZ2-CG 3.72Å; W142-P180 HydrophobicContact CZ3-CB 4.46Å; W142-P180 HydrophobicContact CZ3-CG 4.26Å; V159-P180 HydrophobicContact CG2-CB 4.35Å; I170-P180 HydrophobicContact CB-CG 4.38Å; I170-P180 HydrophobicContact CG2-CG 3.73Å; P180-I205 HydrophobicContact CB-CD1 4.43Å; P180-I205 WeakPolarHBondContact O-CG1 3.37Å
181A98.9Very high98.7Very high0 Ų033.5 Ų33.50%019%0.186CC..SBendtrans-77.6-33.8178.100000111.9L7 Y8 A156 I157 K179 V206L7-A181 HydrophobicContact CD1-CB 4.23Å; Y8-A181 HydrophobicContact CD1-CB 4.04Å; Y8-A181 HydrophobicContact CE1-CB 3.66Å; A156-A181 HydrophobicContact CB-CB 4.26Å; I157-A181 WeakPolarHBondContact O-CB 3.36Å; I157-A181 PolarHBondContact O-N 3.1Å; K179-A181 PolarHBondContact O-N 3.19Å; A181-V206 PolarHBondContact O-N 3.49Å
182V98.9Very high98.7Very high0 Ų032.1 Ų32.10%018%0.179CC..EExtended strand (participates in β ladder)trans-135.2143.2-174.8173.90000110.2L7 M13 L107 L109 G158 V159 Q184 V206 T208L7-V182 HydrophobicContact CD2-CG2 3.98Å; M13-V182 HydrophobicContact SD-CG2 3.91Å; L107-V182 HydrophobicContact CD1-CB 4.49Å; L107-V182 HydrophobicContact CD1-CG2 4.41Å; L107-V182 HydrophobicContact CD2-CB 3.94Å; L107-V182 HydrophobicContact CD2-CG1 4.26Å; L107-V182 HydrophobicContact CD2-CG2 3.69Å; L109-V182 HydrophobicContact CD2-CB 4.37Å; G158-V182 WeakPolarHBondContact CA-O 3.42Å; V159-V182 PolarHBondContact N-O 3.09Å; V182-Q184 HydrophobicContact CG1-CB 4.49Å; V182-V206 CarbonylContact C-O 3.54Å; V182-V206 WeakPolarHBondContact CA-O 3.41Å; V182-V206 HydrophobicContact CG2-CB 4.33Å; V182-T208 WeakPolarHBondContact CG1-OG1 3.31Å
183N98.9Very high98.7Very high0 Ų027 Ų270%015%0.151CC..EExtended strand (participates in β ladder)trans-115.3111.5157.7-169.89.9000109.1V159 F162 I185 I205 V206 V207 T208V159-N183 HydrophobicContact CG2-CB 4.04Å; V159-N183 CarbonylContact O-C 3.5Å; V159-N183 VanDerWaalsContact O-CA 3.27Å; V159-N183 WeakPolarHBondContact O-CA 3.26Å; F162-N183 PolarHBondContact O-ND2 3.24Å; N183-I185 WeakPolarHBondContact OD1-CG2 3.06Å; N183-I205 HydrophobicContact CB-CG2 4.16Å; N183-V206 PolarHBondContact N-O 3.24Å; N183-V207 WeakPolarHBondContact O-CA 3.43Å; N183-T208 PolarHBondContact O-N 2.93Å; N183-T208 VanDerWaalsContact O-N 3.15Å
184Q98.9Very high98.7Very high3 Ų328.2 Ų28.21%0.01416%0.158CC..EExtended strand (participates in β ladder)trans-90.2113.8177.9-174-177.1112.300109.9D44 L109 V159 S160 N161 V182 T208 Y210 I261D44-Q184 PolarHBondContact OD1-NE2 3.34Å; L109-Q184 HydrophobicContact CD1-CB 3.81Å; V159-Q184 PolarHBondContact O-N 2.87Å; S160-Q184 CarbonylContact C-O 3.46Å; S160-Q184 WeakPolarHBondContact CA-O 3.32Å; S160-Q184 WeakPolarHBondContact CB-O 3.44Å; S160-Q184 PolarHBondContact OG-O 3.15Å; N161-Q184 PolarHBondContact N-O 3.47Å; V182-Q184 HydrophobicContact CG1-CB 4.49Å; Q184-T208 CarbonylContact C-O 3.6Å; Q184-T208 VanDerWaalsContact CA-O 3.29Å; Q184-T208 WeakPolarHBondContact CA-O 3.33Å; Q184-T208 HydrophobicContact CG-CG2 3.86Å; Q184-Y210 HydrophobicContact CG-CD1 4.1Å; Q184-I261 HydrophobicContact CG-CD1 4.37Å
185I98.9Very high98.7Very high4 Ų428 Ų282%0.02114%0.144CC..EExtended strand (participates in β ladder)trans-133.2158.5-173.665.7-179.8000111.5N183 C187 Q193 L196 I197 V207 T208 A209 Y210N183-I185 WeakPolarHBondContact OD1-CG2 3.06Å; I185-C187 PolarHBondContact O-N 3.05Å; I185-Q193 HydrophobicContact CD1-CB 3.95Å; I185-Q193 HydrophobicContact CD1-CG 3.99Å; I185-L196 HydrophobicContact CD1-CD2 3.71Å; I185-L196 HydrophobicContact CD1-CG 4.11Å; I185-L196 HydrophobicContact CG2-CD2 4.07Å; I185-I197 HydrophobicContact CD1-CG1 4.37Å; I185-V207 HydrophobicContact CD1-CG1 3.85Å; I185-V207 HydrophobicContact CG1-CG1 3.74Å; I185-T208 PolarHBondContact N-O 2.94Å; I185-A209 WeakPolarHBondContact O-CA 3.43Å; I185-Y210 VanDerWaalsContact CA-CE1 3.46Å; I185-Y210 WeakPolarHBondContact O-CD1 3.34Å; I185-Y210 PolarHBondContact O-N 3.36Å
186E98.8Very high98.7Very high0 Ų024.6 Ų24.60%011%0.109CC..EExtended strand (participates in β ladder)trans-63.5127.6171.9-165.2172.6129.900108.8H188 L191 Q193 Y210 R297 V298 C299E186-H188 IonicContact OE1-CE1 2.76Å; E186-H188 IonicContact OE1-NE2 2.74Å; E186-H188 PolarHBondContact OE1-NE2 3.23Å; E186-L191 HydrophobicContact CB-CD2 3.68Å; E186-L191 HydrophobicContact CG-CD2 3.74Å; E186-Q193 WeakPolarHBondContact O-CG 3.5Å; E186-Q193 PolarHBondContact O-NE2 3.08Å; E186-Y210 HydrophobicContact CB-CD2 4.16Å; E186-Y210 HydrophobicContact CB-CE1 4.18Å; E186-Y210 HydrophobicContact CB-CE2 3.44Å; E186-Y210 VanDerWaalsContact CB-CE2 3.44Å; E186-Y210 VanDerWaalsContact CB-CZ 3.45Å; E186-Y210 WeakPolarHBondContact CB-OH 3.2Å; E186-Y210 HydrophobicContact CG-CD2 4.36Å; E186-Y210 HydrophobicContact CG-CE2 3.79Å; E186-Y210 VanDerWaalsContact N-CD1 3.31Å; E186-R297 VanDerWaalsContact OE1-CA 3.23Å; E186-R297 WeakPolarHBondContact OE1-CA 3.33Å; E186-V298 VanDerWaalsContact CD-N 3.31Å; E186-V298 WeakPolarHBondContact OE1-CB 3.41Å; E186-V298 PolarHBondContact OE1-N 3.47Å; E186-V298 PolarHBondContact OE2-N 3.19Å; E186-C299 WeakPolarHBondContact OE2-CB 3.32Å; E186-C299 PolarHBondContact OE2-N 3.4Å
187C98.8Very high98.7Very high0 Ų022.5 Ų22.50%010%0.098CC..  trans-152.9127176.2-173.70000111.2I185 L191 Q193 A209 Y210I185-C187 PolarHBondContact O-N 3.05Å; C187-L191 WeakPolarHBondContact CA-O 3.46Å; C187-Q193 HydrophobicContact CB-CG 4.27Å; C187-A209 HydrophobicContact CB-CB 3.74Å; C187-Y210 PolarHBondContact N-O 3.04Å
188H98.8Very high98.7Very high1 Ų123 Ų231%0.00510%0.102CC..BIsolated β-bridgetrans-167.5173.1178.847.854.5000109.6E186 Y190 L191 T192 S211 L228 W296E186-H188 IonicContact OE1-CE1 2.76Å; E186-H188 IonicContact OE1-NE2 2.74Å; E186-H188 PolarHBondContact OE1-NE2 3.23Å; H188-Y190 PolarHBondContact ND1-N 2.99Å; H188-Y190 PolarHBondContact O-N 2.84Å; H188-L191 PolarHBondContact N-O 2.89Å; H188-L191 VanDerWaalsContact N-O 3.08Å; H188-L191 PolarHBondContact ND1-N 3.33Å; H188-L191 CarbonylContact O-C 3.5Å; H188-L191 WeakPolarHBondContact O-CA 3.41Å; H188-L191 PolarHBondContact O-N 2.97Å; H188-T192 PolarHBondContact O-N 3.1Å; H188-S211 PolarHBondContact CD2-O 2.86Å; H188-S211 VanDerWaalsContact CD2-O 3.3Å; H188-L228 HydrophobicContact CB-CD1 3.58Å; H188-L228 VanDerWaalsContact CG-CD1 3.5Å; H188-W296 AromaticContact CE1-CE3 3.92Å; H188-W296 PolarHBondContact CE1-O 3.23Å
189P98.8Very high98.7Very high0 Ų021.8 Ų21.80%010%0.097CC..THydrogen-bonded Turntrans-54.9-24.6-176.9-31.738.5000116.5L228 I234 L249 F252 L289 Y292 N293P189-L228 HydrophobicContact CB-CD2 3.95Å; P189-L228 HydrophobicContact CG-CD2 4.22Å; P189-I234 HydrophobicContact CB-CD1 4.24Å; P189-I234 HydrophobicContact CG-CD1 4.27Å; P189-L249 HydrophobicContact CG-CD2 3.6Å; P189-F252 HydrophobicContact CG-CD1 4.06Å; P189-F252 HydrophobicContact CG-CE1 4.24Å; P189-L289 HydrophobicContact CG-CD2 4.11Å; P189-Y292 HydrophobicContact CB-CD2 4.42Å; P189-Y292 CarbonylContact O-C 3.54Å; P189-N293 VanDerWaalsContact O-CA 3.3Å; P189-N293 WeakPolarHBondContact O-CA 3.45Å; P189-N293 PolarHBondContact O-N 3.19Å
190Y98.8Very high98.8Very high11 Ų1117.7 Ų17.74%0.0438%0.08CC..THydrogen-bonded Turntrans-87.3-5.2175.5-65.7-15.7000115.2H188 P226 L228 D231 Y292 N293 R294 N295 W296H188-Y190 PolarHBondContact ND1-N 2.99Å; H188-Y190 PolarHBondContact O-N 2.84Å; Y190-P226 HydrophobicContact CD2-CB 4.1Å; Y190-P226 HydrophobicContact CD2-CG 4.1Å; Y190-P226 HydrophobicContact CE2-CB 3.6Å; Y190-P226 HydrophobicContact CE2-CG 4.11Å; Y190-L228 HydrophobicContact CD1-CD2 3.74Å; Y190-L228 HydrophobicContact CD2-CD1 4.46Å; Y190-L228 HydrophobicContact CD2-CD2 3.51Å; Y190-L228 HydrophobicContact CD2-CG 3.62Å; Y190-L228 HydrophobicContact CE1-CD2 3.9Å; Y190-L228 HydrophobicContact CE2-CD2 3.65Å; Y190-L228 HydrophobicContact CE2-CG 3.73Å; Y190-L228 HydrophobicContact CG-CD2 3.56Å; Y190-L228 HydrophobicContact CG-CG 4.14Å; Y190-D231 WeakPolarHBondContact OH-CB 3.18Å; Y190-D231 PolarHBondContact OH-OD2 3.36Å; Y190-Y292 WeakPolarHBondContact CD1-O 3.23Å; Y190-N293 PolarHBondContact O-OD1 2.87Å; Y190-R294 HydrophobicContact CD1-CG 4.35Å; Y190-R294 HydrophobicContact CG-CG 4.17Å; Y190-R294 PolarHBondContact O-N 3.46Å; Y190-R294 VanDerWaalsContact O-N 3.14Å; Y190-N295 PolarHBondContact O-N 2.92Å; Y190-W296 HydrophobicContact CD2-CE3 4.07Å; Y190-W296 HydrophobicContact CD2-CZ3 4.41Å; Y190-W296 PolarHBondContact O-N 2.91Å; Y190-W296 VanDerWaalsContact O-N 3.1Å
191L98.8Very high98.7Very high1 Ų121.5 Ų21.51%0.00510%0.097CC..BIsolated β-bridgetrans-154.983.4179.7-17575.5000108.5E186 C187 H188 Q193 N293 W296 R297E186-L191 HydrophobicContact CB-CD2 3.68Å; E186-L191 HydrophobicContact CG-CD2 3.74Å; C187-L191 WeakPolarHBondContact CA-O 3.46Å; H188-L191 PolarHBondContact N-O 2.89Å; H188-L191 VanDerWaalsContact N-O 3.08Å; H188-L191 PolarHBondContact ND1-N 3.33Å; H188-L191 CarbonylContact O-C 3.5Å; H188-L191 WeakPolarHBondContact O-CA 3.41Å; H188-L191 PolarHBondContact O-N 2.97Å; L191-Q193 HydrophobicContact CD2-CG 4.45Å; L191-Q193 HydrophobicContact CG-CG 4.09Å; L191-N293 WeakPolarHBondContact CA-OD1 3.21Å; L191-W296 WeakPolarHBondContact CB-O 3.48Å; L191-R297 HydrophobicContact CD1-CG 3.91Å; L191-R297 HydrophobicContact CD2-CG 3.71Å; L191-R297 HydrophobicContact CG-CG 4.43Å
192T98.6Very high98.6Very high0 Ų025.6 Ų25.60%013%0.126CC..  trans-85.3-17.9-164.4420000113.9H188 E194 I197 F252 R256 L290 N293H188-T192 PolarHBondContact O-N 3.1Å; T192-E194 VanDerWaalsContact C-N 3.33Å; T192-E194 WeakPolarHBondContact CB-OE1 3.34Å; T192-E194 WeakPolarHBondContact CB-OE2 3.45Å; T192-E194 PolarHBondContact O-N 3.39Å; T192-E194 PolarHBondContact OG1-OE1 3.45Å; T192-E194 PolarHBondContact OG1-OE2 3.35Å; T192-I197 WeakPolarHBondContact O-CD1 3.42Å; T192-F252 HydrophobicContact CG2-CE1 4.48Å; T192-F252 HydrophobicContact CG2-CZ 4.33Å; T192-R256 PolarHBondContact O-NH1 3.11Å; T192-R256 PolarHBondContact O-NH2 3.5Å; T192-L290 HydrophobicContact CG2-CD2 4.02Å; T192-N293 HydrophobicContact CG2-CB 3.92Å; T192-N293 PolarHBondContact N-OD1 2.9Å; T192-N293 WeakPolarHBondContact OG1-CB 3.43Å; T192-N293 PolarHBondContact OG1-OD1 3.02Å
193Q98.5Very high98.6Very high7 Ų730.6 Ų30.63%0.03315%0.145CC..  trans59.331.8169.2-54.3-85.652.200114.7I185 E186 C187 L191 K195 L196 I197 R297I185-Q193 HydrophobicContact CD1-CB 3.95Å; I185-Q193 HydrophobicContact CD1-CG 3.99Å; E186-Q193 WeakPolarHBondContact O-CG 3.5Å; E186-Q193 PolarHBondContact O-NE2 3.08Å; C187-Q193 HydrophobicContact CB-CG 4.27Å; L191-Q193 HydrophobicContact CD2-CG 4.45Å; L191-Q193 HydrophobicContact CG-CG 4.09Å; Q193-K195 PolarHBondContact O-N 3.14Å; Q193-L196 PolarHBondContact O-N 3.26Å; Q193-I197 HydrophobicContact CB-CD1 3.83Å; Q193-I197 HydrophobicContact CB-CG1 4.09Å; Q193-I197 WeakPolarHBondContact O-CB 2.96Å; Q193-I197 VanDerWaalsContact O-CG1 3.28Å; Q193-I197 WeakPolarHBondContact O-CG1 3.19Å; Q193-I197 PolarHBondContact O-N 3Å; Q193-R297 VanDerWaalsContact OE1-NH2 3.11Å
194E98.6Very high98.5Very high60 Ų6032.8 Ų32.828%0.2817%0.167SC..Hα-helixtrans-52.7-52.1-171.7-69.890.4151.900112.5T192 L196 I197 E198 L290T192-E194 VanDerWaalsContact C-N 3.33Å; T192-E194 WeakPolarHBondContact CB-OE1 3.34Å; T192-E194 WeakPolarHBondContact CB-OE2 3.45Å; T192-E194 PolarHBondContact O-N 3.39Å; T192-E194 PolarHBondContact OG1-OE1 3.45Å; T192-E194 PolarHBondContact OG1-OE2 3.35Å; E194-L196 PolarHBondContact O-N 2.84Å; E194-I197 PolarHBondContact O-N 3.36Å; E194-E198 WeakPolarHBondContact O-CB 3.34Å; E194-E198 VanDerWaalsContact O-CG 3.32Å; E194-E198 WeakPolarHBondContact O-CG 3.28Å; E194-E198 PolarHBondContact O-N 3.28Å; E194-L290 HydrophobicContact CG-CD2 4.3Å
195K98.5Very high98.5Very high117 Ų11732.8 Ų32.851%0.50917%0.167SC..Hα-helixtrans-67.4-41.1-174-43.1174.1173.51770111.5Q193 Y199 E315 F316Q193-K195 PolarHBondContact O-N 3.14Å; K195-Y199 VanDerWaalsContact O-CB 3.3Å; K195-Y199 WeakPolarHBondContact O-CB 3.3Å; K195-Y199 PolarHBondContact O-N 3.39Å; K195-E315 IonicContact NZ-OE1 2.67Å; K195-E315 PolarHBondContact NZ-OE1 3.16Å; K195-F316 WeakPolarHBondContact CB-OXT 3.36Å; K195-F316 WeakPolarHBondContact CG-OXT 3.27Å
196L98.8Very high98.5Very high1 Ų133.5 Ų33.51%0.00517%0.171CC..Hα-helixtrans-69.3-37.3177.8-177.860000112.5H164 I185 Q193 E194 Y199 C200 F316H164-L196 HydrophobicContact CB-CD1 4.17Å; I185-L196 HydrophobicContact CD1-CD2 3.71Å; I185-L196 HydrophobicContact CD1-CG 4.11Å; I185-L196 HydrophobicContact CG2-CD2 4.07Å; Q193-L196 PolarHBondContact O-N 3.26Å; E194-L196 PolarHBondContact O-N 2.84Å; L196-Y199 PolarHBondContact O-N 2.95Å; L196-C200 WeakPolarHBondContact O-CB 3.22Å; L196-C200 PolarHBondContact O-N 3.34Å; L196-C200 PolarHBondContact O-SG 3.44Å; L196-C200 VanDerWaalsContact O-SG 3.39Å; L196-F316 HydrophobicContact CB-CB 4.13Å; L196-F316 HydrophobicContact CB-CD2 3.4Å; L196-F316 HydrophobicContact CB-CE2 4.02Å; L196-F316 HydrophobicContact CB-CG 4.08Å; L196-F316 HydrophobicContact CD2-CD2 3.63Å; L196-F316 HydrophobicContact CD2-CE2 3.36Å; L196-F316 HydrophobicContact CD2-CG 4.42Å; L196-F316 HydrophobicContact CD2-CZ 4.1Å; L196-F316 HydrophobicContact CG-CD2 4.11Å; L196-F316 HydrophobicContact CG-CE2 4.32Å
197I98.8Very high98.5Very high5 Ų533.5 Ų33.53%0.02617%0.172CC..Hα-helixtrans-64-49.5175.2-73.5166.2000110.3I185 T192 Q193 E194 Y199 C200 Q201 V207 L258I185-I197 HydrophobicContact CD1-CG1 4.37Å; T192-I197 WeakPolarHBondContact O-CD1 3.42Å; Q193-I197 HydrophobicContact CB-CD1 3.83Å; Q193-I197 HydrophobicContact CB-CG1 4.09Å; Q193-I197 WeakPolarHBondContact O-CB 2.96Å; Q193-I197 VanDerWaalsContact O-CG1 3.28Å; Q193-I197 WeakPolarHBondContact O-CG1 3.19Å; Q193-I197 PolarHBondContact O-N 3Å; E194-I197 PolarHBondContact O-N 3.36Å; I197-Y199 VanDerWaalsContact C-N 3.3Å; I197-Y199 PolarHBondContact O-N 3.47Å; I197-C200 PolarHBondContact O-N 2.96Å; I197-Q201 HydrophobicContact CG2-CG 4.31Å; I197-Q201 WeakPolarHBondContact O-CB 3.28Å; I197-Q201 VanDerWaalsContact O-CG 3.31Å; I197-Q201 WeakPolarHBondContact O-CG 3.25Å; I197-Q201 PolarHBondContact O-N 3.07Å; I197-V207 HydrophobicContact CG1-CB 4.48Å; I197-V207 HydrophobicContact CG1-CG1 4.15Å; I197-V207 HydrophobicContact CG1-CG2 4.25Å; I197-L258 HydrophobicContact CD1-CD1 3.73Å; I197-L258 HydrophobicContact CD1-CD2 4.16Å; I197-L258 HydrophobicContact CG1-CD2 4.25Å; I197-L258 HydrophobicContact CG2-CD2 3.72Å
198E98.6Very high98.5Very high127 Ų12733.5 Ų33.559%0.59317%0.172SC*.Hα-helixtrans-58.9-43.5177.1-74.5174.4-172.200111.2E194 Q201 S202E194-E198 WeakPolarHBondContact O-CB 3.34Å; E194-E198 VanDerWaalsContact O-CG 3.32Å; E194-E198 WeakPolarHBondContact O-CG 3.28Å; E194-E198 PolarHBondContact O-N 3.28Å; E198-Q201 PolarHBondContact O-N 3.48Å; E198-S202 WeakPolarHBondContact O-CB 3.49Å; E198-S202 PolarHBondContact O-N 2.92Å
199Y98.8Very high98.5Very high35 Ų3533.5 Ų33.514%0.13717%0.172CC..Hα-helixtrans-57.9-53.6174.6179.2-93.8000111.4H164 V167 E168 K195 L196 I197 Q201 S202 R203H164-Y199 HydrophobicContact CB-CD1 3.96Å; H164-Y199 HydrophobicContact CB-CD2 4.33Å; H164-Y199 HydrophobicContact CB-CE1 4.2Å; H164-Y199 HydrophobicContact CB-CG 4.05Å; V167-Y199 HydrophobicContact CB-CE1 3.98Å; V167-Y199 HydrophobicContact CG1-CE1 3.79Å; E168-Y199 WeakPolarHBondContact CA-OH 3.37Å; E168-Y199 VanDerWaalsContact CB-OH 3.28Å; E168-Y199 WeakPolarHBondContact CB-OH 3.46Å; E168-Y199 PolarHBondContact OE1-OH 3.26Å; K195-Y199 VanDerWaalsContact O-CB 3.3Å; K195-Y199 WeakPolarHBondContact O-CB 3.3Å; K195-Y199 PolarHBondContact O-N 3.39Å; L196-Y199 PolarHBondContact O-N 2.95Å; I197-Y199 VanDerWaalsContact C-N 3.3Å; I197-Y199 PolarHBondContact O-N 3.47Å; Y199-Q201 PolarHBondContact O-N 3.17Å; Y199-S202 PolarHBondContact O-N 3.42Å; Y199-S202 PolarHBondContact O-OG 2.91Å; Y199-R203 HydrophobicContact CE1-CG 4.25Å; Y199-R203 WeakPolarHBondContact O-CG 3.49Å; Y199-R203 PolarHBondContact O-N 3.41Å
200C98.8Very high98.5Very high0 Ų034.5 Ų34.50%018%0.176CC..Hα-helixtrans-57.8-47.8179.2-75.70000111.8L196 I197 S202 R203 G204 I205 V207L196-C200 WeakPolarHBondContact O-CB 3.22Å; L196-C200 PolarHBondContact O-N 3.34Å; L196-C200 PolarHBondContact O-SG 3.44Å; L196-C200 VanDerWaalsContact O-SG 3.39Å; I197-C200 PolarHBondContact O-N 2.96Å; C200-S202 VanDerWaalsContact C-N 3.35Å; C200-S202 PolarHBondContact O-N 3.37Å; C200-R203 CarbonylContact O-C 3.41Å; C200-R203 PolarHBondContact O-N 3.31Å; C200-G204 PolarHBondContact O-N 3.47Å; C200-I205 CarbonylContact C-O 3.57Å; C200-I205 VanDerWaalsContact C-O 3.28Å; C200-I205 HydrophobicContact CB-CB 4.02Å; C200-I205 HydrophobicContact CB-CG2 4.32Å; C200-I205 WeakPolarHBondContact O-CB 3.44Å; C200-I205 PolarHBondContact O-N 2.87Å; C200-V207 HydrophobicContact CB-CG2 3.59Å
201Q97.2Very high98.5Very high79 Ų7934.8 Ų34.837%0.36918%0.179SC..Hα-helixtrans-61.4-41.4179.7-72176.4-1100111.9I197 E198 Y199 R203 G204 R256I197-Q201 HydrophobicContact CG2-CG 4.31Å; I197-Q201 WeakPolarHBondContact O-CB 3.28Å; I197-Q201 VanDerWaalsContact O-CG 3.31Å; I197-Q201 WeakPolarHBondContact O-CG 3.25Å; I197-Q201 PolarHBondContact O-N 3.07Å; E198-Q201 PolarHBondContact O-N 3.48Å; Y199-Q201 PolarHBondContact O-N 3.17Å; Q201-R203 PolarHBondContact O-N 2.91Å; Q201-R203 VanDerWaalsContact O-N 3.14Å; Q201-G204 PolarHBondContact O-N 2.84Å; Q201-R256 PolarHBondContact NE2-O 2.94Å
202S98Very high98.5Very high86 Ų8635 Ų3560%0.60118%0.18SC*.Hα-helixtrans-61.4-22.5175.980.50000113.5E198 Y199 C200E198-S202 WeakPolarHBondContact O-CB 3.49Å; E198-S202 PolarHBondContact O-N 2.92Å; Y199-S202 PolarHBondContact O-N 3.42Å; Y199-S202 PolarHBondContact O-OG 2.91Å; C200-S202 VanDerWaalsContact C-N 3.35Å; C200-S202 PolarHBondContact O-N 3.37Å
203R98.1Very high98.5Very high106 Ų10636.1 Ų36.140%0.419%0.186SC..THydrogen-bonded Turntrans-97.81.6178.3-58.5-56.4-168.1177.66.5113.2E168 L171 K179 Y199 C200 Q201 I205E168-R203 IonicContact OE1-NH2 2.7Å; E168-R203 PolarHBondContact OE1-NH2 3.36Å; L171-R203 HydrophobicContact CD1-CB 4.07Å; L171-R203 HydrophobicContact CD1-CG 3.84Å; K179-R203 PolarHBondContact NZ-O 2.95Å; Y199-R203 HydrophobicContact CE1-CG 4.25Å; Y199-R203 WeakPolarHBondContact O-CG 3.49Å; Y199-R203 PolarHBondContact O-N 3.41Å; C200-R203 CarbonylContact O-C 3.41Å; C200-R203 PolarHBondContact O-N 3.31Å; Q201-R203 PolarHBondContact O-N 2.91Å; Q201-R203 VanDerWaalsContact O-N 3.14Å; R203-I205 VanDerWaalsContact C-N 3.32Å; R203-I205 HydrophobicContact CB-CD1 4.02Å; R203-I205 HydrophobicContact CB-CG1 3.99Å
204G97.6Very high98.4Very high45 Ų4536 Ų3646%0.46419%0.187SC..THydrogen-bonded Turntrans72.823.8-175.100000113.6C200 Q201C200-G204 PolarHBondContact O-N 3.47Å; Q201-G204 PolarHBondContact O-N 2.84Å
205I98.8Very high98.3Very high3 Ų333.5 Ų33.52%0.01518%0.176CC..  trans-99.2123.7178.5-53.3179000107.9V167 L171 P180 N183 C200 R203V167-I205 HydrophobicContact CG1-CD1 3.5Å; V167-I205 VanDerWaalsContact CG1-CD1 3.5Å; L171-I205 HydrophobicContact CD1-CD1 4.29Å; L171-I205 HydrophobicContact CD2-CD1 4.48Å; P180-I205 HydrophobicContact CB-CD1 4.43Å; P180-I205 WeakPolarHBondContact O-CG1 3.37Å; N183-I205 HydrophobicContact CB-CG2 4.16Å; C200-I205 CarbonylContact C-O 3.57Å; C200-I205 VanDerWaalsContact C-O 3.28Å; C200-I205 HydrophobicContact CB-CB 4.02Å; C200-I205 HydrophobicContact CB-CG2 4.32Å; C200-I205 WeakPolarHBondContact O-CB 3.44Å; C200-I205 PolarHBondContact O-N 2.87Å; R203-I205 VanDerWaalsContact C-N 3.32Å; R203-I205 HydrophobicContact CB-CD1 4.02Å; R203-I205 HydrophobicContact CB-CG1 3.99Å
206V98.8Very high98Very high19 Ų1931.6 Ų31.612%0.11518%0.176CC..EExtended strand (participates in β ladder)trans-77.8145.2177.1176.70000109.8I5 L7 A181 V182 N183 I259I5-V206 HydrophobicContact CD1-CG1 4.3Å; I5-V206 HydrophobicContact CG2-CG1 4.31Å; I5-V206 HydrophobicContact CG2-CG2 3.63Å; L7-V206 HydrophobicContact CD2-CB 4.02Å; L7-V206 HydrophobicContact CD2-CG2 3.74Å; A181-V206 PolarHBondContact O-N 3.49Å; V182-V206 CarbonylContact C-O 3.54Å; V182-V206 WeakPolarHBondContact CA-O 3.41Å; V182-V206 HydrophobicContact CG2-CB 4.33Å; N183-V206 PolarHBondContact N-O 3.24Å; V206-I259 HydrophobicContact CG1-CD1 3.64Å; V206-I259 HydrophobicContact CG1-CG1 3.85Å
207V98.9Very high97.6Very high1 Ų134.7 Ų34.71%0.00619%0.192CC..EExtended strand (participates in β ladder)trans-105.2131.4176174.40000110.2N183 I185 I197 C200 L258 I259N183-V207 WeakPolarHBondContact O-CA 3.43Å; I185-V207 HydrophobicContact CD1-CG1 3.85Å; I185-V207 HydrophobicContact CG1-CG1 3.74Å; I197-V207 HydrophobicContact CG1-CB 4.48Å; I197-V207 HydrophobicContact CG1-CG1 4.15Å; I197-V207 HydrophobicContact CG1-CG2 4.25Å; C200-V207 HydrophobicContact CB-CG2 3.59Å; V207-L258 HydrophobicContact CB-CD2 3.91Å; V207-L258 HydrophobicContact CG1-CD2 4.29Å; V207-I259 PolarHBondContact O-N 2.96Å
208T98.9Very high97.3Very high0 Ų035.3 Ų35.30%019%0.194CC..EExtended strand (participates in β ladder)trans-106.6119.9169.8-60.60000109.3V182 N183 Q184 I185 Y210 I259 I261V182-T208 WeakPolarHBondContact CG1-OG1 3.31Å; N183-T208 PolarHBondContact O-N 2.93Å; N183-T208 VanDerWaalsContact O-N 3.15Å; Q184-T208 CarbonylContact C-O 3.6Å; Q184-T208 VanDerWaalsContact CA-O 3.29Å; Q184-T208 WeakPolarHBondContact CA-O 3.33Å; Q184-T208 HydrophobicContact CG-CG2 3.86Å; I185-T208 PolarHBondContact N-O 2.94Å; T208-Y210 PolarHBondContact O-N 2.8Å; T208-I259 CarbonylContact C-O 3.42Å; T208-I259 WeakPolarHBondContact CA-O 3.32Å; T208-I259 HydrophobicContact CG2-CB 4.17Å; T208-I259 HydrophobicContact CG2-CG2 3.94Å; T208-I261 HydrophobicContact CG2-CD1 3.97Å; T208-I261 HydrophobicContact CG2-CG1 3.93Å; T208-I261 HydrophobicContact CG2-CG2 4.02Å
209A98.9Very high97Very high0 Ų033.9 Ų33.90%020%0.196CC..EExtended strand (participates in β ladder)trans-79.5107176.400000110.7I185 C187 P253 I259 V260 I261I185-A209 WeakPolarHBondContact O-CA 3.43Å; C187-A209 HydrophobicContact CB-CB 3.74Å; A209-P253 HydrophobicContact CB-CB 4.1Å; A209-I259 WeakPolarHBondContact CB-O 3.47Å; A209-I259 PolarHBondContact N-O 2.6Å; A209-V260 HydrophobicContact CB-CG2 4.45Å; A209-I261 WeakPolarHBondContact O-CG1 2.94Å; A209-I261 PolarHBondContact O-N 2.87Å
210Y98.8Very high96.6Very high22 Ų2238 Ų389%0.08621%0.211CC..EExtended strand (participates in β ladder)trans-88.8162167.479.3-113000111.3N161 Q184 I185 E186 C187 T208 P212 C299N161-Y210 WeakPolarHBondContact OD1-CE1 3.29Å; N161-Y210 PolarHBondContact OD1-OH 2.63Å; Q184-Y210 HydrophobicContact CG-CD1 4.1Å; I185-Y210 VanDerWaalsContact CA-CE1 3.46Å; I185-Y210 WeakPolarHBondContact O-CD1 3.34Å; I185-Y210 PolarHBondContact O-N 3.36Å; E186-Y210 HydrophobicContact CB-CD2 4.16Å; E186-Y210 HydrophobicContact CB-CE1 4.18Å; E186-Y210 HydrophobicContact CB-CE2 3.44Å; E186-Y210 VanDerWaalsContact CB-CE2 3.44Å; E186-Y210 VanDerWaalsContact CB-CZ 3.45Å; E186-Y210 WeakPolarHBondContact CB-OH 3.2Å; E186-Y210 HydrophobicContact CG-CD2 4.36Å; E186-Y210 HydrophobicContact CG-CE2 3.79Å; E186-Y210 VanDerWaalsContact N-CD1 3.31Å; C187-Y210 PolarHBondContact N-O 3.04Å; T208-Y210 PolarHBondContact O-N 2.8Å; Y210-P212 VanDerWaalsContact C-N 3.28Å; Y210-C299 HydrophobicContact CE2-CB 3.89Å
211S98.3Very high96.3Very high17 Ų1740.2 Ų40.212%0.11923%0.23CC..SBendtrans49.938.6-173.7-67.60000114.2H188 L213 G214H188-S211 PolarHBondContact CD2-O 2.86Å; H188-S211 VanDerWaalsContact CD2-O 3.3Å; S211-L213 PolarHBondContact O-N 3.47Å; S211-G214 PolarHBondContact O-N 3.47Å
212P98.4Very high96.1Very high4 Ų442.4 Ų42.43%0.02624%0.238CC..THydrogen-bonded Turntrans-62.8-18.7-170.129.3-38000114.1Y210 V260 P262Y210-P212 VanDerWaalsContact C-N 3.28Å; P212-V260 HydrophobicContact CB-CG2 3.4Å; P212-V260 VanDerWaalsContact CB-CG2 3.4Å; P212-V260 HydrophobicContact CG-CG2 3.59Å; P212-P262 HydrophobicContact CG-CB 4.09Å
213L98.4Very high95.7Very high24 Ų2444.8 Ų44.813%0.12625%0.252CS..THydrogen-bonded Turntrans-98.18.1177.7-52.9-176.9000113.5S211 A246 L249 I250 P262S211-L213 PolarHBondContact O-N 3.47Å; L213-A246 HydrophobicContact CD2-CB 4.04Å; L213-L249 HydrophobicContact CD2-CB 3.8Å; L213-L249 HydrophobicContact CD2-CD1 4.09Å; L213-I250 HydrophobicContact CD2-CD1 4.28Å; L213-I250 HydrophobicContact CD2-CG1 3.97Å; L213-P262 HydrophobicContact CD1-CB 4.07Å; L213-P262 HydrophobicContact CG-CB 4.31Å
214G97.1Very high95.5Very high4 Ų446.3 Ų46.34%0.04126%0.263CS..  trans80.310.6-179.700000115.7S211 R218S211-G214 PolarHBondContact O-N 3.47Å; G214-R218 PolarHBondContact O-NH1 3.5Å
215S95.3Very high95.3Very high9 Ų946.2 Ų46.26%0.06325%0.252CS..  trans42.764.3179.5-165.20000113.1W21 D217 R218W21-S215 WeakPolarHBondContact CZ3-OG 3.16Å; S215-D217 PolarHBondContact O-N 3.01Å; S215-R218 WeakPolarHBondContact O-CB 3.36Å; S215-R218 WeakPolarHBondContact O-CD 3.21Å; S215-R218 WeakPolarHBondContact O-CG 3.35Å; S215-R218 PolarHBondContact O-N 3.39Å; S215-R218 VanDerWaalsContact O-N 3.15Å; S215-R218 PolarHBondContact O-NH1 3.19Å
216P93.6Very high95Very high77 Ų7747.5 Ų47.550%0.526%0.261SS..THydrogen-bonded Turntrans-64.9-22.4-178.228.2-36.3000112.6R218 L229P216-R218 VanDerWaalsContact C-N 3.34Å; P216-L229 HydrophobicContact CG-CD1 4.11Å
217D89.6Confident95Very high65 Ų6548.8 Ų48.835%0.34827%0.27SS..THydrogen-bonded Turntrans-84.5-0.5177.366.2-33.2000113.3K22 S215 K263K22-D217 WeakPolarHBondContact CE-O 3.21Å; K22-D217 WeakPolarHBondContact CE-OD2 3.43Å; K22-D217 PolarHBondContact NZ-O 3.03Å; K22-D217 IonicContact NZ-OD2 3.68Å; S215-D217 PolarHBondContact O-N 3.01Å; D217-K263 IonicContact OD2-NZ 3Å; D217-K263 PolarHBondContact OD2-NZ 3.17Å
218R93.8Very high94.9Very high18 Ų1848.9 Ų48.97%0.06827%0.271CS..  trans-56.1140.8-176.772.8-167.7177-84.5-1.4112.6G214 S215 P216 W220 A221 D225 V298G214-R218 PolarHBondContact O-NH1 3.5Å; S215-R218 WeakPolarHBondContact O-CB 3.36Å; S215-R218 WeakPolarHBondContact O-CD 3.21Å; S215-R218 WeakPolarHBondContact O-CG 3.35Å; S215-R218 PolarHBondContact O-N 3.39Å; S215-R218 VanDerWaalsContact O-N 3.15Å; S215-R218 PolarHBondContact O-NH1 3.19Å; P216-R218 VanDerWaalsContact C-N 3.34Å; R218-W220 HydrophobicContact CB-CD2 4.48Å; R218-W220 HydrophobicContact CB-CZ2 4.4Å; R218-W220 HydrophobicContact CG-CG 4.44Å; R218-W220 PolarHBondContact O-N 3.17Å; R218-A221 HydrophobicContact CG-CB 3.75Å; R218-A221 WeakPolarHBondContact O-CB 3.5Å; R218-A221 PolarHBondContact O-N 2.96Å; R218-D225 IonicContact CZ-OD2 2.96Å; R218-D225 IonicContact NE-OD2 2.63Å; R218-D225 VanDerWaalsContact NH2-CG 3.26Å; R218-D225 IonicContact NH2-OD2 3.85Å; R218-D225 PolarHBondContact NH2-OD2 3.02Å; R218-V298 VanDerWaalsContact CD-CG1 3.45Å
219P90.8Very high94.9Very high97 Ų9750.8 Ų50.863%0.6328%0.281SS*.THydrogen-bonded Turntrans-64-23.6-176.8-23.134.2000115.2K22K22-P219 HydrophobicContact CD-CG 4.13Å
220W91.4Very high94.8Very high122 Ų12256.4 Ų56.446%0.46231%0.307SS..THydrogen-bonded Turntrans-101.819.7-178.852.984000113W21 R218 V298W21-W220 AromaticContact CH2-CH2 3.63Å; W21-W220 HydrophobicContact CH2-CH2 3.63Å; W21-W220 AromaticContact CH2-CZ2 3.9Å; W21-W220 HydrophobicContact CH2-CZ2 3.9Å; W21-W220 AromaticContact CZ2-CH2 3.75Å; W21-W220 HydrophobicContact CZ2-CH2 3.75Å; W21-W220 HydrophobicContact CZ2-CZ2 4.47Å; W21-W220 HydrophobicContact CZ2-CZ3 4.4Å; R218-W220 HydrophobicContact CB-CD2 4.48Å; R218-W220 HydrophobicContact CB-CZ2 4.4Å; R218-W220 HydrophobicContact CG-CG 4.44Å; R218-W220 PolarHBondContact O-N 3.17Å; W220-V298 PolarHBondContact NE1-O 3Å
221A92.3Very high94.8Very high46 Ų4655.7 Ų55.738%0.3831%0.305SS..  trans-64.6134.4174.200000110.3R218R218-A221 HydrophobicContact CG-CB 3.75Å; R218-A221 WeakPolarHBondContact O-CB 3.5Å; R218-A221 PolarHBondContact O-N 2.96Å
222K91.8Very high94.8Very high125 Ų12559.5 Ų59.554%0.54333%0.329SS..  trans-107.9147.5172-53.5-177.7-178.1176.40110.4E224 D225K222-E224 VanDerWaalsContact CB-CD 3.46Å; K222-E224 HydrophobicContact CB-CG 4.28Å; K222-E224 WeakPolarHBondContact CB-OE2 3.35Å; K222-E224 VanDerWaalsContact CD-OE1 3.27Å; K222-E224 WeakPolarHBondContact CD-OE1 3.41Å; K222-E224 PolarHBondContact O-N 3.44Å; K222-E224 VanDerWaalsContact O-N 3.16Å; K222-D225 PolarHBondContact N-OD2 2.94Å; K222-D225 WeakPolarHBondContact O-CB 3.4Å; K222-D225 PolarHBondContact O-N 3.41Å
223P90.9Very high94.8Very high137 Ų13764.4 Ų64.489%0.8935%0.347SS*.THydrogen-bonded Turntrans-55.5-30.4178.4-26.835.4000114.3
224E93Very high94.9Very high138 Ų13863.2 Ų63.265%0.64534%0.341SS*.THydrogen-bonded Turntrans-83.1-9.6178.868.1-87.3-159.100114.4K222K222-E224 VanDerWaalsContact CB-CD 3.46Å; K222-E224 HydrophobicContact CB-CG 4.28Å; K222-E224 WeakPolarHBondContact CB-OE2 3.35Å; K222-E224 VanDerWaalsContact CD-OE1 3.27Å; K222-E224 WeakPolarHBondContact CD-OE1 3.41Å; K222-E224 PolarHBondContact O-N 3.44Å; K222-E224 VanDerWaalsContact O-N 3.16Å
225D93.5Very high94.9Very high42 Ų4266.4 Ų66.423%0.22535%0.354CS..SBendtrans-64.1142178.8-75.8-29.3000110.3R218 K222 S227 W296R218-D225 IonicContact CZ-OD2 2.96Å; R218-D225 IonicContact NE-OD2 2.63Å; R218-D225 VanDerWaalsContact NH2-CG 3.26Å; R218-D225 IonicContact NH2-OD2 3.85Å; R218-D225 PolarHBondContact NH2-OD2 3.02Å; K222-D225 PolarHBondContact N-OD2 2.94Å; K222-D225 WeakPolarHBondContact O-CB 3.4Å; K222-D225 PolarHBondContact O-N 3.41Å; D225-S227 PolarHBondContact O-N 2.8Å; D225-W296 HydrophobicContact CB-CZ2 4.07Å
226P93.8Very high95.1Very high31 Ų3168.7 Ų68.720%0.20137%0.373CS..  trans-66.7139.6178.732.9-37.9000110.1Y190 W296Y190-P226 HydrophobicContact CD2-CB 4.1Å; Y190-P226 HydrophobicContact CD2-CG 4.1Å; Y190-P226 HydrophobicContact CE2-CB 3.6Å; Y190-P226 HydrophobicContact CE2-CG 4.11Å; P226-W296 HydrophobicContact CG-CD2 3.78Å; P226-W296 HydrophobicContact CG-CE3 4.26Å; P226-W296 HydrophobicContact CG-CG 4.05Å; P226-W296 HydrophobicContact CG-CZ2 4.15Å
227S96.8Very high95.4Very high46 Ų4665.5 Ų65.532%0.32235%0.352SS..  trans-107.4120.5176.4175.40000110.3D225 E230 D231D225-S227 PolarHBondContact O-N 2.8Å; S227-E230 PolarHBondContact O-N 3.2Å; S227-E230 WeakPolarHBondContact OG-CG 3.48Å; S227-E230 PolarHBondContact OG-N 3.11Å; S227-D231 PolarHBondContact O-N 3Å
228L97.8Very high95.8Very high2 Ų262.5 Ų62.51%0.0134%0.336CS..SBendtrans-65.5-42.4175.8-78.5165.3000111.8H188 P189 Y190 E230 D231 I234 T245 L249H188-L228 HydrophobicContact CB-CD1 3.58Å; H188-L228 VanDerWaalsContact CG-CD1 3.5Å; P189-L228 HydrophobicContact CB-CD2 3.95Å; P189-L228 HydrophobicContact CG-CD2 4.22Å; Y190-L228 HydrophobicContact CD1-CD2 3.74Å; Y190-L228 HydrophobicContact CD2-CD1 4.46Å; Y190-L228 HydrophobicContact CD2-CD2 3.51Å; Y190-L228 HydrophobicContact CD2-CG 3.62Å; Y190-L228 HydrophobicContact CE1-CD2 3.9Å; Y190-L228 HydrophobicContact CE2-CD2 3.65Å; Y190-L228 HydrophobicContact CE2-CG 3.73Å; Y190-L228 HydrophobicContact CG-CD2 3.56Å; Y190-L228 HydrophobicContact CG-CG 4.14Å; L228-E230 PolarHBondContact O-N 3.28Å; L228-D231 PolarHBondContact O-N 3.2Å; L228-I234 HydrophobicContact CD2-CD1 3.89Å; L228-T245 WeakPolarHBondContact O-CG2 3.37Å; L228-L249 HydrophobicContact CB-CD1 3.84Å; L228-L249 HydrophobicContact CB-CD2 4.16Å; L228-L249 HydrophobicContact CD2-CD2 4.1Å
229L98.2Very high96Very high41 Ų4167.8 Ų67.822%0.21537%0.365CS..THydrogen-bonded Turntrans-66.3-26.6-179.1-69.1168.6000112.4P216 K235 T245 A246 L249P216-L229 HydrophobicContact CG-CD1 4.11Å; L229-K235 VanDerWaalsContact O-CE 3.31Å; L229-K235 WeakPolarHBondContact O-CE 3.29Å; L229-T245 WeakPolarHBondContact O-CG2 3.17Å; L229-T245 PolarHBondContact O-OG1 3.02Å; L229-A246 HydrophobicContact CD2-CB 3.84Å; L229-L249 HydrophobicContact CD2-CD1 3.74Å; L229-L249 HydrophobicContact CG-CD1 4.22Å
230E98.1Very high96.4Very high118 Ų11869.1 Ų69.155%0.55136%0.362SS*.THydrogen-bonded Turntrans-98.8-2.6-179.3-58.4-54.5134.400114.3S227 L228 P232 K235S227-E230 PolarHBondContact O-N 3.2Å; S227-E230 WeakPolarHBondContact OG-CG 3.48Å; S227-E230 PolarHBondContact OG-N 3.11Å; L228-E230 PolarHBondContact O-N 3.28Å; E230-P232 WeakPolarHBondContact O-CD 3.46Å; E230-P232 VanDerWaalsContact O-N 3.14Å; E230-K235 IonicContact OE2-NZ 3.74Å; E230-K235 PolarHBondContact OE2-NZ 2.69Å
231D98.4Very high96.7Very high7 Ų765.4 Ų65.44%0.03735%0.349CS..  trans-62.8115.6-179.7-172-30.8000110.1Y190 S227 L228 R233 I234 K235Y190-D231 WeakPolarHBondContact OH-CB 3.18Å; Y190-D231 PolarHBondContact OH-OD2 3.36Å; S227-D231 PolarHBondContact O-N 3Å; L228-D231 PolarHBondContact O-N 3.2Å; D231-R233 PolarHBondContact O-N 2.86Å; D231-R233 VanDerWaalsContact O-N 3.12Å; D231-R233 WeakPolarHBondContact OD1-CA 3.44Å; D231-R233 WeakPolarHBondContact OD1-CB 3.24Å; D231-R233 VanDerWaalsContact OD1-CG 3.25Å; D231-R233 WeakPolarHBondContact OD1-CG 3.27Å; D231-R233 IonicContact OD1-CZ 2.91Å; D231-R233 PolarHBondContact OD1-N 2.82Å; D231-R233 IonicContact OD1-NE 2.93Å; D231-R233 PolarHBondContact OD1-NE 2.87Å; D231-R233 IonicContact OD1-NH2 3.87Å; D231-R233 IonicContact OD2-CZ 2.86Å; D231-R233 VanDerWaalsContact OD2-CZ 3.3Å; D231-R233 IonicContact OD2-NE 3.5Å; D231-R233 PolarHBondContact OD2-NE 3.47Å; D231-R233 VanDerWaalsContact OD2-NE 3.11Å; D231-R233 IonicContact OD2-NH2 2.71Å; D231-R233 PolarHBondContact OD2-NH2 3.34Å; D231-I234 HydrophobicContact CB-CB 4.22Å; D231-I234 HydrophobicContact CB-CD1 3.85Å; D231-I234 HydrophobicContact CB-CG1 3.81Å; D231-I234 PolarHBondContact O-N 3.39Å; D231-I234 VanDerWaalsContact O-N 3.08Å; D231-K235 PolarHBondContact O-N 3.22Å
232P98.4Very high97Very high97 Ų9770.4 Ų70.463%0.6337%0.37SS*.Hα-helixtrans-61.4-25.4-177.225.8-34.8000112.3E230 A236E230-P232 WeakPolarHBondContact O-CD 3.46Å; E230-P232 VanDerWaalsContact O-N 3.14Å; P232-A236 WeakPolarHBondContact O-CB 3.16Å; P232-A236 PolarHBondContact O-N 3.5Å
233R98.7Very high97.3Very high106 Ų10665.9 Ų65.940%0.435%0.35SS..Hα-helixtrans-74.3-36.7179.3-46.5170.4-68.8174.62.5111.3D231 I237 Y292D231-R233 PolarHBondContact O-N 2.86Å; D231-R233 VanDerWaalsContact O-N 3.12Å; D231-R233 WeakPolarHBondContact OD1-CA 3.44Å; D231-R233 WeakPolarHBondContact OD1-CB 3.24Å; D231-R233 VanDerWaalsContact OD1-CG 3.25Å; D231-R233 WeakPolarHBondContact OD1-CG 3.27Å; D231-R233 IonicContact OD1-CZ 2.91Å; D231-R233 PolarHBondContact OD1-N 2.82Å; D231-R233 IonicContact OD1-NE 2.93Å; D231-R233 PolarHBondContact OD1-NE 2.87Å; D231-R233 IonicContact OD1-NH2 3.87Å; D231-R233 IonicContact OD2-CZ 2.86Å; D231-R233 VanDerWaalsContact OD2-CZ 3.3Å; D231-R233 IonicContact OD2-NE 3.5Å; D231-R233 PolarHBondContact OD2-NE 3.47Å; D231-R233 VanDerWaalsContact OD2-NE 3.11Å; D231-R233 IonicContact OD2-NH2 2.71Å; D231-R233 PolarHBondContact OD2-NH2 3.34Å; R233-I237 PolarHBondContact O-N 3Å; R233-Y292 HydrophobicContact CB-CE1 4.4Å; R233-Y292 HydrophobicContact CB-CE2 3.98Å; R233-Y292 WeakPolarHBondContact CB-OH 3.24Å
234I98.8Very high97.7Very high0 Ų061.6 Ų61.60%032%0.321CS..Hα-helixtrans-75.3-38.1174.8-51.4178.6000110P189 L228 D231 A236 I237 A238 T245 V248 L249 L289 Y292P189-I234 HydrophobicContact CB-CD1 4.24Å; P189-I234 HydrophobicContact CG-CD1 4.27Å; L228-I234 HydrophobicContact CD2-CD1 3.89Å; D231-I234 HydrophobicContact CB-CB 4.22Å; D231-I234 HydrophobicContact CB-CD1 3.85Å; D231-I234 HydrophobicContact CB-CG1 3.81Å; D231-I234 PolarHBondContact O-N 3.39Å; D231-I234 VanDerWaalsContact O-N 3.08Å; I234-A236 VanDerWaalsContact C-N 3.32Å; I234-A236 PolarHBondContact O-N 3.18Å; I234-I237 WeakPolarHBondContact O-CB 3.48Å; I234-I237 PolarHBondContact O-N 2.9Å; I234-I237 VanDerWaalsContact O-N 3.14Å; I234-A238 PolarHBondContact O-N 2.94Å; I234-T245 HydrophobicContact CB-CG2 3.97Å; I234-T245 HydrophobicContact CG2-CG2 3.56Å; I234-V248 HydrophobicContact CG2-CB 4.34Å; I234-V248 HydrophobicContact CG2-CG1 3.88Å; I234-L249 HydrophobicContact CD1-CD2 3.99Å; I234-L249 HydrophobicContact CG2-CD2 4.37Å; I234-L249 HydrophobicContact CG2-CG 4.49Å; I234-L289 HydrophobicContact CD1-CD2 4.47Å; I234-L289 HydrophobicContact CG1-CD2 4.05Å; I234-L289 HydrophobicContact CG2-CD2 4.1Å; I234-Y292 HydrophobicContact CD1-CD2 4.32Å; I234-Y292 HydrophobicContact CG1-CD2 3.95Å; I234-Y292 HydrophobicContact CG1-CE2 3.8Å
235K98.8Very high98Very high70 Ų7055.8 Ų55.830%0.30430%0.295SS..Hα-helixtrans-56.4-44.1171.7-75.4176173.2174.40112.1L229 E230 D231 I237 A238 D239 T245L229-K235 VanDerWaalsContact O-CE 3.31Å; L229-K235 WeakPolarHBondContact O-CE 3.29Å; E230-K235 IonicContact OE2-NZ 3.74Å; E230-K235 PolarHBondContact OE2-NZ 2.69Å; D231-K235 PolarHBondContact O-N 3.22Å; K235-I237 VanDerWaalsContact C-N 3.28Å; K235-I237 PolarHBondContact O-N 3.08Å; K235-A238 CarbonylContact O-C 3.02Å; K235-A238 WeakPolarHBondContact O-CA 3.32Å; K235-A238 WeakPolarHBondContact O-CB 3.08Å; K235-A238 PolarHBondContact O-N 3.34Å; K235-D239 PolarHBondContact O-N 2.93Å; K235-T245 VanDerWaalsContact CG-OG1 3.3Å; K235-T245 WeakPolarHBondContact CG-OG1 3.33Å
236A98.8Very high98.2Very high57 Ų5754.2 Ų54.247%0.47129%0.288SS..Hα-helixtrans-60.7-35.7176.800000113.1P232 I234 K240P232-A236 WeakPolarHBondContact O-CB 3.16Å; P232-A236 PolarHBondContact O-N 3.5Å; I234-A236 VanDerWaalsContact C-N 3.32Å; I234-A236 PolarHBondContact O-N 3.18Å; A236-K240 PolarHBondContact O-N 3.24Å
237I98.8Very high98.5Very high11 Ų1153.1 Ų53.16%0.05628%0.28CS..Hα-helixtrans-68.5-41.5172.4-62.9170.7000110R233 I234 K235 K240 H241 V248 L281 D285 T288 L289R233-I237 PolarHBondContact O-N 3Å; I234-I237 WeakPolarHBondContact O-CB 3.48Å; I234-I237 PolarHBondContact O-N 2.9Å; I234-I237 VanDerWaalsContact O-N 3.14Å; K235-I237 VanDerWaalsContact C-N 3.28Å; K235-I237 PolarHBondContact O-N 3.08Å; I237-K240 WeakPolarHBondContact O-CB 3.26Å; I237-K240 PolarHBondContact O-N 3.08Å; I237-H241 PolarHBondContact O-CD2 3.09Å; I237-H241 VanDerWaalsContact O-CD2 3.24Å; I237-H241 PolarHBondContact O-N 2.54Å; I237-V248 HydrophobicContact CG2-CG1 4.02Å; I237-V248 HydrophobicContact CG2-CG2 4.33Å; I237-L281 HydrophobicContact CG2-CD2 3.82Å; I237-D285 HydrophobicContact CG2-CB 4.15Å; I237-T288 HydrophobicContact CD1-CG2 4.15Å; I237-L289 HydrophobicContact CD1-CD1 4.45Å; I237-L289 HydrophobicContact CD1-CD2 3.87Å; I237-L289 HydrophobicContact CD1-CG 3.85Å
238A98.8Very high98.6Very high2 Ų250.9 Ų50.92%0.01727%0.265CS..Hα-helixtrans-61.3-45.517800000111.9I234 K235 K240 H241 N242 K243 V248I234-A238 PolarHBondContact O-N 2.94Å; K235-A238 CarbonylContact O-C 3.02Å; K235-A238 WeakPolarHBondContact O-CA 3.32Å; K235-A238 WeakPolarHBondContact O-CB 3.08Å; K235-A238 PolarHBondContact O-N 3.34Å; A238-K240 PolarHBondContact O-N 3.4Å; A238-H241 CarbonylContact O-C 3.58Å; A238-H241 PolarHBondContact O-N 3.35Å; A238-H241 VanDerWaalsContact O-N 3.07Å; A238-N242 PolarHBondContact O-N 3.44Å; A238-K243 CarbonylContact C-O 3.52Å; A238-K243 VanDerWaalsContact CB-O 3.26Å; A238-K243 WeakPolarHBondContact CB-O 3.46Å; A238-K243 PolarHBondContact O-N 3.43Å; A238-V248 HydrophobicContact CB-CG2 3.69Å
239D98.6Very high98.6Very high128 Ų12850.9 Ų50.968%0.68426%0.264SS*.Hα-helixtrans-59.3-43.7176.6-67.5-23000111.8K235 H241 N242K235-D239 PolarHBondContact O-N 2.93Å; D239-H241 PolarHBondContact O-N 3.34Å; D239-N242 PolarHBondContact O-N 3.07Å; D239-N242 VanDerWaalsContact O-N 3.09Å
240K98.4Very high98.7Very high126 Ų12648.9 Ų48.955%0.54825%0.254SS..Hα-helixtrans-55.7-33.7175.6175.7-172.2171.3-168.30112.6A236 I237 A238 S282 D285A236-K240 PolarHBondContact O-N 3.24Å; I237-K240 WeakPolarHBondContact O-CB 3.26Å; I237-K240 PolarHBondContact O-N 3.08Å; A238-K240 PolarHBondContact O-N 3.4Å; K240-S282 PolarHBondContact NZ-OG 3.29Å; K240-D285 VanDerWaalsContact NZ-CG 3.28Å; K240-D285 IonicContact NZ-OD1 2.64Å; K240-D285 PolarHBondContact NZ-OD1 3.01Å; K240-D285 IonicContact NZ-OD2 3.35Å; K240-D285 PolarHBondContact NZ-OD2 2.89Å
241H98.4Very high98.7Very high43 Ų4343.7 Ų43.720%0.19923%0.229CC..THydrogen-bonded Turntrans-991.1-178.4-71.5-76.8000113.5I237 A238 D239 K243 F279 E280 D285I237-H241 PolarHBondContact O-CD2 3.09Å; I237-H241 VanDerWaalsContact O-CD2 3.24Å; I237-H241 PolarHBondContact O-N 2.54Å; A238-H241 CarbonylContact O-C 3.58Å; A238-H241 PolarHBondContact O-N 3.35Å; A238-H241 VanDerWaalsContact O-N 3.07Å; D239-H241 PolarHBondContact O-N 3.34Å; H241-K243 VanDerWaalsContact C-N 3.27Å; H241-K243 HydrophobicContact CB-CB 4.41Å; H241-K243 HydrophobicContact CB-CG 4.11Å; H241-K243 WeakPolarHBondContact O-CG 3.48Å; H241-K243 PolarHBondContact O-N 3.23Å; H241-F279 HydrophobicContact CB-CD2 3.93Å; H241-F279 HydrophobicContact CB-CE2 4.27Å; H241-F279 AromaticContact CG-CD2 3.94Å; H241-F279 AromaticContact ND1-CD2 3.94Å; H241-E280 PolarHBondContact CE1-O 3.14Å; H241-D285 IonicContact CE1-OD2 2.63Å; H241-D285 IonicContact NE2-OD2 2.88Å; H241-D285 PolarHBondContact NE2-OD2 3.03Å
242N98.3Very high98.7Very high152 Ų15243.3 Ų43.381%0.81323%0.228SC*.THydrogen-bonded Turntrans5246.7-171.3-16949.4000112.2A238 D239A238-N242 PolarHBondContact O-N 3.44Å; D239-N242 PolarHBondContact O-N 3.07Å; D239-N242 VanDerWaalsContact O-N 3.09Å
243K98.7Very high98.7Very high30 Ų3038.8 Ų38.813%0.1320%0.198CC..  trans-128167.1-178.6-68.5-67.2172.9174.60110.3A238 H241 Q247 Q275 D278 F279A238-K243 CarbonylContact C-O 3.52Å; A238-K243 VanDerWaalsContact CB-O 3.26Å; A238-K243 WeakPolarHBondContact CB-O 3.46Å; A238-K243 PolarHBondContact O-N 3.43Å; H241-K243 VanDerWaalsContact C-N 3.27Å; H241-K243 HydrophobicContact CB-CB 4.41Å; H241-K243 HydrophobicContact CB-CG 4.11Å; H241-K243 WeakPolarHBondContact O-CG 3.48Å; H241-K243 PolarHBondContact O-N 3.23Å; K243-Q247 HydrophobicContact CB-CB 4.09Å; K243-Q247 HydrophobicContact CD-CB 4.38Å; K243-Q275 PolarHBondContact NZ-O 3.2Å; K243-Q275 VanDerWaalsContact NZ-O 3.17Å; K243-D278 WeakPolarHBondContact CE-OD1 3.49Å; K243-D278 IonicContact NZ-OD1 3.99Å; K243-D278 PolarHBondContact NZ-OD1 2.93Å; K243-D278 IonicContact NZ-OD2 2.68Å; K243-D278 PolarHBondContact NZ-OD2 3.31Å; K243-F279 HydrophobicContact CB-CZ 4.48Å; K243-F279 HydrophobicContact CD-CD1 3.92Å; K243-F279 HydrophobicContact CD-CE1 4.01Å; K243-F279 HydrophobicContact CD-CG 4.41Å; K243-F279 HydrophobicContact CG-CD1 3.92Å; K243-F279 HydrophobicContact CG-CD2 4.14Å; K243-F279 HydrophobicContact CG-CE1 3.91Å; K243-F279 HydrophobicContact CG-CE2 4.14Å; K243-F279 HydrophobicContact CG-CG 4.02Å; K243-F279 HydrophobicContact CG-CZ 4.02Å
244T98.8Very high98.7Very high46 Ų4634 Ų3428%0.28218%0.18SC..  trans-82.4159.417174.70000111.1A246 Q247 V248 E272T244-A246 PolarHBondContact O-N 3.34Å; T244-A246 PolarHBondContact OG1-N 2.99Å; T244-Q247 PolarHBondContact O-N 3.19Å; T244-Q247 VanDerWaalsContact O-N 3.13Å; T244-Q247 WeakPolarHBondContact OG1-CG 3.49Å; T244-Q247 PolarHBondContact OG1-N 2.86Å; T244-V248 PolarHBondContact O-N 3.34Å; T244-V248 VanDerWaalsContact O-N 3.13Å; T244-E272 VanDerWaalsContact CB-OE1 3.3Å; T244-E272 WeakPolarHBondContact CB-OE1 3.34Å; T244-E272 HydrophobicContact CG2-CG 4.05Å; T244-E272 VanDerWaalsContact CG2-OE1 3.32Å; T244-E272 WeakPolarHBondContact CG2-OE1 3.45Å; T244-E272 PolarHBondContact OG1-OE1 3.45Å
245T98.8Very high98.7Very high17 Ų1735.8 Ų35.810%0.10419%0.189CC..Hα-helixtrans-54.9-38.8172.7-47.60000111.4L228 L229 I234 K235 Q247 V248 L249L228-T245 WeakPolarHBondContact O-CG2 3.37Å; L229-T245 WeakPolarHBondContact O-CG2 3.17Å; L229-T245 PolarHBondContact O-OG1 3.02Å; I234-T245 HydrophobicContact CB-CG2 3.97Å; I234-T245 HydrophobicContact CG2-CG2 3.56Å; K235-T245 VanDerWaalsContact CG-OG1 3.3Å; K235-T245 WeakPolarHBondContact CG-OG1 3.33Å; T245-Q247 PolarHBondContact O-N 3.08Å; T245-V248 PolarHBondContact O-N 3.26Å; T245-L249 HydrophobicContact CG2-CD1 4.17Å; T245-L249 HydrophobicContact CG2-CG 4.39Å; T245-L249 WeakPolarHBondContact O-CB 3.4Å; T245-L249 VanDerWaalsContact O-CG 3.24Å; T245-L249 WeakPolarHBondContact O-CG 3.49Å; T245-L249 PolarHBondContact O-N 3.45Å
246A98.8Very high98.6Very high8 Ų834.1 Ų34.17%0.06618%0.181CC..Hα-helixtrans-62.5-42.7178.200000112L213 L229 T244 V248 L249 I250L213-A246 HydrophobicContact CD2-CB 4.04Å; L229-A246 HydrophobicContact CD2-CB 3.84Å; T244-A246 PolarHBondContact O-N 3.34Å; T244-A246 PolarHBondContact OG1-N 2.99Å; A246-V248 VanDerWaalsContact C-N 3.34Å; A246-V248 PolarHBondContact O-N 3.21Å; A246-L249 PolarHBondContact O-N 3.28Å; A246-I250 WeakPolarHBondContact O-CB 3.13Å; A246-I250 WeakPolarHBondContact O-CD1 3.1Å; A246-I250 VanDerWaalsContact O-CG1 3.25Å; A246-I250 WeakPolarHBondContact O-CG1 3.41Å; A246-I250 PolarHBondContact O-N 3.42Å
247Q98.9Very high98.5Very high8 Ų837 Ų374%0.03719%0.188CC..Hα-helixtrans-63.3-39176.4-71170.9-32.900112.1K243 T244 T245 I250 R251 E272 Q275 V276 F279K243-Q247 HydrophobicContact CB-CB 4.09Å; K243-Q247 HydrophobicContact CD-CB 4.38Å; T244-Q247 PolarHBondContact O-N 3.19Å; T244-Q247 VanDerWaalsContact O-N 3.13Å; T244-Q247 WeakPolarHBondContact OG1-CG 3.49Å; T244-Q247 PolarHBondContact OG1-N 2.86Å; T245-Q247 PolarHBondContact O-N 3.08Å; Q247-I250 PolarHBondContact O-N 3.13Å; Q247-R251 WeakPolarHBondContact O-CB 3.31Å; Q247-R251 PolarHBondContact O-N 3.48Å; Q247-E272 HydrophobicContact CG-CG 4.09Å; Q247-E272 WeakPolarHBondContact CG-O 3.38Å; Q247-E272 PolarHBondContact NE2-O 3.13Å; Q247-Q275 PolarHBondContact NE2-O 2.83Å; Q247-V276 HydrophobicContact CB-CG1 3.99Å; Q247-V276 HydrophobicContact CG-CG1 4.06Å; Q247-F279 HydrophobicContact CB-CE1 4.41Å; Q247-F279 HydrophobicContact CB-CZ 4.49Å
248V98.9Very high98.5Very high0 Ų036.5 Ų36.50%019%0.186CC..Hα-helixtrans-63.6-45.7172.41730000111.3I234 I237 A238 T244 T245 A246 I250 R251 F252 L281 L289I234-V248 HydrophobicContact CG2-CB 4.34Å; I234-V248 HydrophobicContact CG2-CG1 3.88Å; I237-V248 HydrophobicContact CG2-CG1 4.02Å; I237-V248 HydrophobicContact CG2-CG2 4.33Å; A238-V248 HydrophobicContact CB-CG2 3.69Å; T244-V248 PolarHBondContact O-N 3.34Å; T244-V248 VanDerWaalsContact O-N 3.13Å; T245-V248 PolarHBondContact O-N 3.26Å; A246-V248 VanDerWaalsContact C-N 3.34Å; A246-V248 PolarHBondContact O-N 3.21Å; V248-I250 VanDerWaalsContact C-N 3.26Å; V248-I250 PolarHBondContact O-N 2.92Å; V248-R251 PolarHBondContact O-N 3.23Å; V248-F252 WeakPolarHBondContact O-CB 3.49Å; V248-F252 PolarHBondContact O-N 3.33Å; V248-L281 HydrophobicContact CG1-CD1 4.46Å; V248-L281 HydrophobicContact CG1-CD2 4.11Å; V248-L281 HydrophobicContact CG2-CD2 4.45Å; V248-L289 HydrophobicContact CG1-CD1 3.94Å; V248-L289 HydrophobicContact CG1-CD2 4.31Å
249L98.9Very high98.5Very high1 Ų136.4 Ų36.41%0.00519%0.185CC..Hα-helixtrans-62.5-31.7178.3-70.5172.3000113P189 L213 L228 L229 I234 T245 A246 P253P189-L249 HydrophobicContact CG-CD2 3.6Å; L213-L249 HydrophobicContact CD2-CB 3.8Å; L213-L249 HydrophobicContact CD2-CD1 4.09Å; L228-L249 HydrophobicContact CB-CD1 3.84Å; L228-L249 HydrophobicContact CB-CD2 4.16Å; L228-L249 HydrophobicContact CD2-CD2 4.1Å; L229-L249 HydrophobicContact CD2-CD1 3.74Å; L229-L249 HydrophobicContact CG-CD1 4.22Å; I234-L249 HydrophobicContact CD1-CD2 3.99Å; I234-L249 HydrophobicContact CG2-CD2 4.37Å; I234-L249 HydrophobicContact CG2-CG 4.49Å; T245-L249 HydrophobicContact CG2-CD1 4.17Å; T245-L249 HydrophobicContact CG2-CG 4.39Å; T245-L249 WeakPolarHBondContact O-CB 3.4Å; T245-L249 VanDerWaalsContact O-CG 3.24Å; T245-L249 WeakPolarHBondContact O-CG 3.49Å; T245-L249 PolarHBondContact O-N 3.45Å; A246-L249 PolarHBondContact O-N 3.28Å; L249-P253 WeakPolarHBondContact O-CD 3.46Å
250I98.9Very high98.5Very high0 Ų030.3 Ų30.30%015%0.152CC..Hα-helixtrans-79.5-42.4175.2-68.4163000110.5L16 L213 A246 Q247 V248 F252 P253 L254 V260 P262 N273 V276L16-I250 HydrophobicContact CD1-CG2 3.95Å; L213-I250 HydrophobicContact CD2-CD1 4.28Å; L213-I250 HydrophobicContact CD2-CG1 3.97Å; A246-I250 WeakPolarHBondContact O-CB 3.13Å; A246-I250 WeakPolarHBondContact O-CD1 3.1Å; A246-I250 VanDerWaalsContact O-CG1 3.25Å; A246-I250 WeakPolarHBondContact O-CG1 3.41Å; A246-I250 PolarHBondContact O-N 3.42Å; Q247-I250 PolarHBondContact O-N 3.13Å; V248-I250 VanDerWaalsContact C-N 3.26Å; V248-I250 PolarHBondContact O-N 2.92Å; I250-F252 VanDerWaalsContact C-N 3.29Å; I250-F252 PolarHBondContact O-N 2.83Å; I250-P253 WeakPolarHBondContact O-CD 3.24Å; I250-P253 VanDerWaalsContact O-CG 3.28Å; I250-P253 WeakPolarHBondContact O-CG 3.26Å; I250-L254 HydrophobicContact CG2-CD1 4.18Å; I250-L254 WeakPolarHBondContact O-CG 3.5Å; I250-V260 HydrophobicContact CG2-CG1 3.73Å; I250-P262 HydrophobicContact CD1-CB 3.96Å; I250-P262 HydrophobicContact CD1-CG 3.82Å; I250-P262 HydrophobicContact CG1-CB 4.19Å; I250-P262 HydrophobicContact CG1-CG 4.11Å; I250-N273 HydrophobicContact CD1-CB 3.59Å; I250-N273 VanDerWaalsContact CD1-CG 3.5Å; I250-N273 WeakPolarHBondContact CD1-OD1 2.97Å; I250-V276 HydrophobicContact CB-CG1 3.98Å; I250-V276 HydrophobicContact CG2-CB 4.19Å; I250-V276 HydrophobicContact CG2-CG1 3.75Å; I250-V276 HydrophobicContact CG2-CG2 3.86Å
251R98.7Very high98.5Very high8 Ų824.7 Ų24.73%0.0313%0.128CC..Hα-helixtrans-65.5-34.2-179.2-176.959.4177.7-161.2-3.2112.6M1 Q247 V248 L254 Q255 V276 F279 L281M1-R251 PolarHBondContact SD-NH1 2.89Å; Q247-R251 WeakPolarHBondContact O-CB 3.31Å; Q247-R251 PolarHBondContact O-N 3.48Å; V248-R251 PolarHBondContact O-N 3.23Å; R251-L254 PolarHBondContact O-N 3.28Å; R251-Q255 HydrophobicContact CG-CG 4.45Å; R251-Q255 VanDerWaalsContact CG-OE1 3.27Å; R251-Q255 PolarHBondContact O-N 2.63Å; R251-V276 WeakPolarHBondContact CD-O 3.46Å; R251-V276 PolarHBondContact NH1-O 3Å; R251-F279 HydrophobicContact CB-CE1 3.95Å; R251-F279 HydrophobicContact CB-CE2 4.11Å; R251-F279 HydrophobicContact CB-CZ 3.42Å; R251-F279 VanDerWaalsContact CB-CZ 3.42Å; R251-F279 HydrophobicContact CG-CE1 4.08Å; R251-F279 HydrophobicContact CG-CE2 3.92Å; R251-F279 HydrophobicContact CG-CZ 3.63Å; R251-F279 PolarHBondContact NE-O 3.46Å; R251-F279 VanDerWaalsContact NE-O 3.14Å; R251-F279 PolarHBondContact NH1-O 3.45Å; R251-F279 PolarHBondContact NH2-O 3.3Å; R251-L281 HydrophobicContact CB-CD1 4.11Å; R251-L281 HydrophobicContact CB-CG 4.45Å; R251-L281 HydrophobicContact CG-CD1 3.94Å; R251-L281 HydrophobicContact CG-CG 3.92Å
252F98.8Very high98.5Very high0 Ų022.7 Ų22.70%012%0.119CC..Hα-helixtrans-52.9-58.6179174.5-113.9000114P189 T192 V248 I250 L254 Q255 R256 L281 M286 L289 L290P189-F252 HydrophobicContact CG-CD1 4.06Å; P189-F252 HydrophobicContact CG-CE1 4.24Å; T192-F252 HydrophobicContact CG2-CE1 4.48Å; T192-F252 HydrophobicContact CG2-CZ 4.33Å; V248-F252 WeakPolarHBondContact O-CB 3.49Å; V248-F252 PolarHBondContact O-N 3.33Å; I250-F252 VanDerWaalsContact C-N 3.29Å; I250-F252 PolarHBondContact O-N 2.83Å; F252-L254 PolarHBondContact O-N 2.9Å; F252-Q255 PolarHBondContact O-N 2.94Å; F252-R256 WeakPolarHBondContact O-CG 3.3Å; F252-L281 HydrophobicContact CB-CD1 4.17Å; F252-M286 HydrophobicContact CD2-CE 3.55Å; F252-M286 HydrophobicContact CD2-SD 3.84Å; F252-M286 HydrophobicContact CE2-CE 3.8Å; F252-M286 HydrophobicContact CE2-SD 4.45Å; F252-M286 WeakPolarHBondContact O-CE 3.34Å; F252-L289 HydrophobicContact CB-CD1 4.14Å; F252-L289 HydrophobicContact CD2-CB 3.73Å; F252-L289 HydrophobicContact CD2-CD1 3.71Å; F252-L289 HydrophobicContact CD2-CG 4.36Å; F252-L289 HydrophobicContact CE2-CB 3.63Å; F252-L289 HydrophobicContact CE2-CD1 4.46Å; F252-L289 HydrophobicContact CG-CB 4.42Å; F252-L289 HydrophobicContact CG-CD1 4.15Å; F252-L289 HydrophobicContact CZ-CB 4.25Å; F252-L290 HydrophobicContact CE2-CD2 4.23Å; F252-L290 HydrophobicContact CE2-CG 3.95Å; F252-L290 HydrophobicContact CZ-CD2 3.7Å; F252-L290 HydrophobicContact CZ-CG 3.88Å
253P98.6Very high98.5Very high2 Ų218 Ų181%0.0139%0.091CC..Hα-helixtrans-64.9-35.6176.524.8-33.9000112.8A209 L249 I250 Q255 R256 L258 V260A209-P253 HydrophobicContact CB-CB 4.1Å; L249-P253 WeakPolarHBondContact O-CD 3.46Å; I250-P253 WeakPolarHBondContact O-CD 3.24Å; I250-P253 VanDerWaalsContact O-CG 3.28Å; I250-P253 WeakPolarHBondContact O-CG 3.26Å; P253-Q255 VanDerWaalsContact C-N 3.32Å; P253-Q255 PolarHBondContact O-N 2.85Å; P253-R256 WeakPolarHBondContact O-CA 3.32Å; P253-R256 PolarHBondContact O-N 2.81Å; P253-L258 HydrophobicContact CB-CB 4.04Å; P253-L258 HydrophobicContact CB-CD1 3.88Å; P253-L258 HydrophobicContact CB-CG 4.42Å; P253-L258 VanDerWaalsContact O-CB 3.29Å; P253-L258 WeakPolarHBondContact O-CB 3.46Å; P253-L258 WeakPolarHBondContact O-CG 3.26Å; P253-L258 PolarHBondContact O-N 2.87Å; P253-L258 VanDerWaalsContact O-N 3.09Å; P253-V260 HydrophobicContact CB-CB 4.48Å; P253-V260 HydrophobicContact CG-CB 3.89Å; P253-V260 HydrophobicContact CG-CG2 3.59Å
254L98.3Very high98.5Very high5 Ų516.9 Ų16.93%0.0269%0.087CC..Hα-helixtrans-59.1-42.9178-66.2-177.5000112.1M1 I15 I250 R251 F252 R256 N257 V260 V276 F277M1-L254 HydrophobicContact SD-CB 4.27Å; I15-L254 HydrophobicContact CB-CD2 3.77Å; I15-L254 HydrophobicContact CD1-CD2 3.87Å; I15-L254 HydrophobicContact CG1-CD2 3.78Å; I15-L254 WeakPolarHBondContact O-CD2 3.42Å; I250-L254 HydrophobicContact CG2-CD1 4.18Å; I250-L254 WeakPolarHBondContact O-CG 3.5Å; R251-L254 PolarHBondContact O-N 3.28Å; F252-L254 PolarHBondContact O-N 2.9Å; L254-R256 PolarHBondContact O-N 3.19Å; L254-N257 PolarHBondContact O-N 3.18Å; L254-V260 HydrophobicContact CD1-CG1 4.23Å; L254-V260 HydrophobicContact CD2-CB 4.21Å; L254-V260 HydrophobicContact CD2-CG1 3.47Å; L254-V260 VanDerWaalsContact CD2-CG1 3.47Å; L254-V260 HydrophobicContact CG-CG1 3.77Å; L254-V276 HydrophobicContact CD1-CG2 3.79Å; L254-F277 HydrophobicContact CD1-CE1 4.3Å
255Q97.9Very high98.5Very high38 Ų3816.4 Ų16.418%0.1788%0.084CC..THydrogen-bonded Turntrans-70.2-9.5176.4-84.1-174.5-122.400114.7M1 R251 F252 P253 E280 L281 M286M1-Q255 HydrophobicContact CE-CB 4.41Å; M1-Q255 HydrophobicContact CE-CG 3.36Å; R251-Q255 HydrophobicContact CG-CG 4.45Å; R251-Q255 VanDerWaalsContact CG-OE1 3.27Å; R251-Q255 PolarHBondContact O-N 2.63Å; F252-Q255 PolarHBondContact O-N 2.94Å; P253-Q255 VanDerWaalsContact C-N 3.32Å; P253-Q255 PolarHBondContact O-N 2.85Å; Q255-E280 VanDerWaalsContact NE2-CG 3.32Å; Q255-L281 PolarHBondContact NE2-O 3.42Å; Q255-M286 HydrophobicContact CB-CE 3.83Å; Q255-M286 HydrophobicContact CB-SD 3.99Å
256R97.4Very high98.4Very high35 Ų3517.9 Ų17.913%0.1329%0.093CC..THydrogen-bonded Turntrans-99.515.3175.6-64.8173.564.3-155.30.9112.4T192 Q201 F252 P253 L254 L258 M286T192-R256 PolarHBondContact O-NH1 3.11Å; T192-R256 PolarHBondContact O-NH2 3.5Å; Q201-R256 PolarHBondContact NE2-O 2.94Å; F252-R256 WeakPolarHBondContact O-CG 3.3Å; P253-R256 WeakPolarHBondContact O-CA 3.32Å; P253-R256 PolarHBondContact O-N 2.81Å; L254-R256 PolarHBondContact O-N 3.19Å; R256-L258 VanDerWaalsContact C-N 3.27Å; R256-L258 HydrophobicContact CB-CD1 4.09Å; R256-L258 HydrophobicContact CB-CG 3.91Å; R256-L258 PolarHBondContact O-N 2.94Å; R256-M286 HydrophobicContact CG-CE 3.49Å; R256-M286 VanDerWaalsContact CG-CE 3.49Å
257N97.3Very high98.4Very high118 Ų11820.1 Ų20.163%0.63111%0.107SC*.THydrogen-bonded Turntrans58.638.2-173.9-55.3-54.7000112.6L254L254-N257 PolarHBondContact O-N 3.18Å
258L98.5Very high98.4Very high0 Ų026.1 Ų26.10%014%0.135CC..  trans-108.5155.3173.9-41.5176.6000109.6I197 V207 P253 R256I197-L258 HydrophobicContact CD1-CD1 3.73Å; I197-L258 HydrophobicContact CD1-CD2 4.16Å; I197-L258 HydrophobicContact CG1-CD2 4.25Å; I197-L258 HydrophobicContact CG2-CD2 3.72Å; V207-L258 HydrophobicContact CB-CD2 3.91Å; V207-L258 HydrophobicContact CG1-CD2 4.29Å; P253-L258 HydrophobicContact CB-CB 4.04Å; P253-L258 HydrophobicContact CB-CD1 3.88Å; P253-L258 HydrophobicContact CB-CG 4.42Å; P253-L258 VanDerWaalsContact O-CB 3.29Å; P253-L258 WeakPolarHBondContact O-CB 3.46Å; P253-L258 WeakPolarHBondContact O-CG 3.26Å; P253-L258 PolarHBondContact O-N 2.87Å; P253-L258 VanDerWaalsContact O-N 3.09Å; R256-L258 VanDerWaalsContact C-N 3.27Å; R256-L258 HydrophobicContact CB-CD1 4.09Å; R256-L258 HydrophobicContact CB-CG 3.91Å; R256-L258 PolarHBondContact O-N 2.94Å
259I98.8Very high98.4Very high0 Ų033.4 Ų33.40%016%0.163CC..EExtended strand (participates in β ladder)trans-87.5148.1167.8-58.1-178.5000108I5 M13 I15 V206 V207 T208 A209I5-I259 HydrophobicContact CD1-CG1 4.14Å; M13-I259 HydrophobicContact CB-CD1 3.99Å; M13-I259 HydrophobicContact CE-CD1 3.72Å; M13-I259 HydrophobicContact CE-CG2 4.34Å; M13-I259 HydrophobicContact CG-CD1 3.52Å; M13-I259 HydrophobicContact SD-CD1 3.26Å; M13-I259 WeakPolarHBondContact SD-CD1 3.32Å; I15-I259 CarbonylContact O-C 3.57Å; I15-I259 VanDerWaalsContact O-CA 3.29Å; I15-I259 WeakPolarHBondContact O-CA 3.49Å; I15-I259 WeakPolarHBondContact O-CG2 3.36Å; V206-I259 HydrophobicContact CG1-CD1 3.64Å; V206-I259 HydrophobicContact CG1-CG1 3.85Å; V207-I259 PolarHBondContact O-N 2.96Å; T208-I259 CarbonylContact C-O 3.42Å; T208-I259 WeakPolarHBondContact CA-O 3.32Å; T208-I259 HydrophobicContact CG2-CB 4.17Å; T208-I259 HydrophobicContact CG2-CG2 3.94Å; A209-I259 WeakPolarHBondContact CB-O 3.47Å; A209-I259 PolarHBondContact N-O 2.6Å
260V98.8Very high98.4Very high0 Ų033.3 Ų33.30%016%0.162CC..EExtended strand (participates in β ladder)trans-133.9137.7-178.7730000111I15 L16 G17 A209 P212 I250 P253 L254I15-V260 PolarHBondContact O-N 3.02Å; L16-V260 WeakPolarHBondContact CA-O 3.41Å; L16-V260 HydrophobicContact CD1-CG1 3.51Å; G17-V260 PolarHBondContact N-O 2.81Å; A209-V260 HydrophobicContact CB-CG2 4.45Å; P212-V260 HydrophobicContact CB-CG2 3.4Å; P212-V260 VanDerWaalsContact CB-CG2 3.4Å; P212-V260 HydrophobicContact CG-CG2 3.59Å; I250-V260 HydrophobicContact CG2-CG1 3.73Å; P253-V260 HydrophobicContact CB-CB 4.48Å; P253-V260 HydrophobicContact CG-CB 3.89Å; P253-V260 HydrophobicContact CG-CG2 3.59Å; L254-V260 HydrophobicContact CD1-CG1 4.23Å; L254-V260 HydrophobicContact CD2-CB 4.21Å; L254-V260 HydrophobicContact CD2-CG1 3.47Å; L254-V260 VanDerWaalsContact CD2-CG1 3.47Å; L254-V260 HydrophobicContact CG-CG1 3.77Å
261I98.8Very high98.3Very high8 Ų834.5 Ų34.54%0.04117%0.172CC..  trans-128.865-173.950.3166.2000112G17 D44 Q184 T208 A209G17-I261 WeakPolarHBondContact O-CA 3.43Å; D44-I261 HydrophobicContact CB-CB 4.28Å; D44-I261 HydrophobicContact CB-CD1 3.86Å; D44-I261 HydrophobicContact CB-CG2 4.03Å; D44-I261 VanDerWaalsContact CG-CD1 3.45Å; Q184-I261 HydrophobicContact CG-CD1 4.37Å; T208-I261 HydrophobicContact CG2-CD1 3.97Å; T208-I261 HydrophobicContact CG2-CG1 3.93Å; T208-I261 HydrophobicContact CG2-CG2 4.02Å; A209-I261 WeakPolarHBondContact O-CG1 2.94Å; A209-I261 PolarHBondContact O-N 2.87Å
262P98.6Very high98.3Very high1 Ų136.9 Ų36.91%0.00618%0.184CC..  trans-61.6140.4175.430.1-36.9000110.4L16 G17 G19 P212 L213 I250 N273L16-P262 HydrophobicContact CD1-CG 3.85Å; G17-P262 WeakPolarHBondContact O-CD 3.43Å; G19-P262 PolarHBondContact N-O 3.49Å; P212-P262 HydrophobicContact CG-CB 4.09Å; L213-P262 HydrophobicContact CD1-CB 4.07Å; L213-P262 HydrophobicContact CG-CB 4.31Å; I250-P262 HydrophobicContact CD1-CB 3.96Å; I250-P262 HydrophobicContact CD1-CG 3.82Å; I250-P262 HydrophobicContact CG1-CB 4.19Å; I250-P262 HydrophobicContact CG1-CG 4.11Å; P262-N273 HydrophobicContact CG-CB 4.32Å
263K98.3Very high98.3Very high52 Ų5237.2 Ų37.223%0.22619%0.185CC..BIsolated β-bridgetrans-101.6134.6175.5177.6-96.2-173.3164.30110.3G19 W21 K22 S23 D217G19-K263 WeakPolarHBondContact O-CA 3.41Å; G19-K263 VanDerWaalsContact O-CB 3.28Å; G19-K263 WeakPolarHBondContact O-CB 3.39Å; G19-K263 WeakPolarHBondContact O-CG 3.45Å; W21-K263 WeakPolarHBondContact O-CD 3.49Å; W21-K263 WeakPolarHBondContact O-CE 3.1Å; K22-K263 PolarHBondContact O-NZ 3.36Å; S23-K263 WeakPolarHBondContact OG-CE 3.27Å; D217-K263 IonicContact OD2-NZ 3Å; D217-K263 PolarHBondContact OD2-NZ 3.17Å
264S98Very high98.3Very high8 Ų839.7 Ų39.76%0.05620%0.196CC..  trans-152.3149.2166.8179.10000109.5T266 R269S264-T266 PolarHBondContact OG-N 2.77Å; S264-T266 PolarHBondContact OG-O 2.97Å; S264-R269 WeakPolarHBondContact OG-CB 3.01Å
265V97.8Very high98.3Very high35 Ų3544.7 Ų44.721%0.21222%0.219CC..  trans-115.48.4166-62.10000111.8S23 K27 A31S23-V265 VanDerWaalsContact CB-CG1 3.47Å; S23-V265 VanDerWaalsContact OG-CG1 3.27Å; S23-V265 WeakPolarHBondContact OG-CG1 3.45Å; K27-V265 HydrophobicContact CB-CB 4.29Å; K27-V265 HydrophobicContact CB-CG1 4.42Å; K27-V265 HydrophobicContact CD-CG2 4.31Å; A31-V265 HydrophobicContact CB-CB 4.14Å; A31-V265 HydrophobicContact CB-CG1 4.02Å
266T98.1Very high98.3Very high48 Ų4842.9 Ų42.929%0.29421%0.211SC..  trans-100.5113.2-179.6-560000107.6S264 E268 R269 I270S264-T266 PolarHBondContact OG-N 2.77Å; S264-T266 PolarHBondContact OG-O 2.97Å; T266-E268 VanDerWaalsContact C-N 3.27Å; T266-E268 VanDerWaalsContact CG2-OE2 3.24Å; T266-E268 WeakPolarHBondContact CG2-OE2 3.42Å; T266-E268 PolarHBondContact O-N 2.88Å; T266-R269 HydrophobicContact CG2-CB 4.48Å; T266-R269 HydrophobicContact CG2-CG 4.17Å; T266-R269 PolarHBondContact O-N 3.33Å; T266-I270 WeakPolarHBondContact O-CG1 3.41Å; T266-I270 PolarHBondContact O-N 3.01Å
267P98.3Very high98.3Very high55 Ų5544.9 Ų44.936%0.35722%0.221SC..Hα-helixtrans-50.3-43.6-173.8-31.337.4000114.1V34 R269 I270 A271V34-P267 HydrophobicContact CG1-CB 4.14Å; P267-R269 VanDerWaalsContact C-N 3.33Å; P267-R269 PolarHBondContact O-N 3.49Å; P267-I270 PolarHBondContact O-N 3.04Å; P267-I270 VanDerWaalsContact O-N 3.17Å; P267-A271 PolarHBondContact O-N 3.39Å
268E98.5Very high98.3Very high135 Ų13544.6 Ų44.663%0.63122%0.219SC*.Hα-helixtrans-63.2-40.8-179.2-58.773.2-157.300111.2T266 A271 E272T266-E268 VanDerWaalsContact C-N 3.27Å; T266-E268 VanDerWaalsContact CG2-OE2 3.24Å; T266-E268 WeakPolarHBondContact CG2-OE2 3.42Å; T266-E268 PolarHBondContact O-N 2.88Å; E268-A271 PolarHBondContact O-N 3.42Å; E268-E272 WeakPolarHBondContact O-CB 3.36Å; E268-E272 PolarHBondContact O-N 3.16Å
269R98.5Very high98.3Very high152 Ų15245.6 Ų45.657%0.57422%0.223SC*.Hα-helixtrans-73.2-31.5176.7-67.6176.8178.7166.1-3.3112.4S264 T266 P267 A271 N273S264-R269 WeakPolarHBondContact OG-CB 3.01Å; T266-R269 HydrophobicContact CG2-CB 4.48Å; T266-R269 HydrophobicContact CG2-CG 4.17Å; T266-R269 PolarHBondContact O-N 3.33Å; P267-R269 VanDerWaalsContact C-N 3.33Å; P267-R269 PolarHBondContact O-N 3.49Å; R269-A271 VanDerWaalsContact C-N 3.35Å; R269-N273 WeakPolarHBondContact O-CB 3.5Å; R269-N273 PolarHBondContact O-N 3.47Å; R269-N273 PolarHBondContact O-ND2 3.06Å; R269-N273 PolarHBondContact O-OD1 3.12Å
270I98.7Very high98.3Very high0 Ų051.8 Ų51.80%025%0.252CS..Hα-helixtrans-64.1-45.2173.5-63.9166.5000109.1L18 A31 V34 A35 L38 Y40 T266 P267 F274L18-I270 HydrophobicContact CD1-CG1 4.42Å; A31-I270 HydrophobicContact CB-CD1 3.88Å; V34-I270 HydrophobicContact CG1-CB 4.39Å; V34-I270 HydrophobicContact CG1-CD1 4.3Å; V34-I270 HydrophobicContact CG1-CG2 4.26Å; A35-I270 HydrophobicContact CB-CG2 3.82Å; L38-I270 HydrophobicContact CD1-CB 4.34Å; L38-I270 HydrophobicContact CD1-CG2 3.8Å; Y40-I270 HydrophobicContact CD2-CG2 4.37Å; Y40-I270 HydrophobicContact CE2-CG2 3.85Å; Y40-I270 PolarHBondContact OH-O 3.43Å; T266-I270 WeakPolarHBondContact O-CG1 3.41Å; T266-I270 PolarHBondContact O-N 3.01Å; P267-I270 PolarHBondContact O-N 3.04Å; P267-I270 VanDerWaalsContact O-N 3.17Å; I270-F274 PolarHBondContact O-N 2.99Å
271A98.7Very high98.3Very high25 Ų2552 Ų5221%0.20725%0.253CS..Hα-helixtrans-62.8-47.5174.200000112.4L38 P267 E268 R269 N273 F274 Q275L38-A271 HydrophobicContact CD1-CB 3.79Å; L38-A271 HydrophobicContact CD2-CB 3.99Å; P267-A271 PolarHBondContact O-N 3.39Å; E268-A271 PolarHBondContact O-N 3.42Å; R269-A271 VanDerWaalsContact C-N 3.35Å; A271-N273 VanDerWaalsContact C-N 3.34Å; A271-N273 PolarHBondContact O-N 2.87Å; A271-F274 PolarHBondContact O-N 2.63Å; A271-F274 VanDerWaalsContact O-N 3.14Å; A271-Q275 PolarHBondContact O-N 3.42Å
272E98.6Very high98.3Very high58 Ų5853.7 Ų53.727%0.27127%0.266SS..Hα-helixtrans-56.5-46.8177.7-175.3-172.9117.300111.8T244 Q247 E268 F274 Q275T244-E272 VanDerWaalsContact CB-OE1 3.3Å; T244-E272 WeakPolarHBondContact CB-OE1 3.34Å; T244-E272 HydrophobicContact CG2-CG 4.05Å; T244-E272 VanDerWaalsContact CG2-OE1 3.32Å; T244-E272 WeakPolarHBondContact CG2-OE1 3.45Å; T244-E272 PolarHBondContact OG1-OE1 3.45Å; Q247-E272 HydrophobicContact CG-CG 4.09Å; Q247-E272 WeakPolarHBondContact CG-O 3.38Å; Q247-E272 PolarHBondContact NE2-O 3.13Å; E268-E272 WeakPolarHBondContact O-CB 3.36Å; E268-E272 PolarHBondContact O-N 3.16Å; E272-F274 PolarHBondContact O-N 2.65Å; E272-Q275 PolarHBondContact O-N 3.36Å; E272-Q275 VanDerWaalsContact O-N 3.1Å
273N98.7Very high98.3Very high6 Ų658.5 Ų58.53%0.03230%0.299CS..Hα-helixtrans-65.1-19.6-179-73.5-14.2000113.3Y40 I250 P262 R269 A271Y40-N273 WeakPolarHBondContact OH-CB 3.31Å; I250-N273 HydrophobicContact CD1-CB 3.59Å; I250-N273 VanDerWaalsContact CD1-CG 3.5Å; I250-N273 WeakPolarHBondContact CD1-OD1 2.97Å; P262-N273 HydrophobicContact CG-CB 4.32Å; R269-N273 WeakPolarHBondContact O-CB 3.5Å; R269-N273 PolarHBondContact O-N 3.47Å; R269-N273 PolarHBondContact O-ND2 3.06Å; R269-N273 PolarHBondContact O-OD1 3.12Å; A271-N273 VanDerWaalsContact C-N 3.34Å; A271-N273 PolarHBondContact O-N 2.87Å
274F98.4Very high98.3Very high55 Ų5559 Ų5924%0.24131%0.313CS..Hα-helixtrans-84.6-22.1176.2-158.7-111000113.1L16 L38 G39 Y40 I270 A271 E272 V276 F277L16-F274 HydrophobicContact CD2-CD2 3.57Å; L16-F274 HydrophobicContact CD2-CE2 4.13Å; L16-F274 HydrophobicContact CD2-CG 4.39Å; L16-F274 HydrophobicContact CG-CD2 4.46Å; L38-F274 WeakPolarHBondContact O-CD1 3.37Å; L38-F274 WeakPolarHBondContact O-CE1 3.5Å; G39-F274 VanDerWaalsContact C-CZ 3.42Å; G39-F274 WeakPolarHBondContact O-CZ 3.32Å; Y40-F274 HydrophobicContact CD1-CD2 4.19Å; Y40-F274 HydrophobicContact CD1-CE2 4.42Å; Y40-F274 HydrophobicContact CD2-CB 4.45Å; Y40-F274 AromaticContact CD2-CD2 3.49Å; Y40-F274 HydrophobicContact CD2-CD2 3.49Å; Y40-F274 VanDerWaalsContact CD2-CD2 3.49Å; Y40-F274 AromaticContact CD2-CE2 3.97Å; Y40-F274 HydrophobicContact CD2-CE2 3.97Å; Y40-F274 HydrophobicContact CD2-CG 4.14Å; Y40-F274 HydrophobicContact CE1-CD2 4.03Å; Y40-F274 HydrophobicContact CE2-CB 3.64Å; Y40-F274 AromaticContact CE2-CD2 3.33Å; Y40-F274 HydrophobicContact CE2-CD2 3.33Å; Y40-F274 HydrophobicContact CE2-CE2 4.25Å; Y40-F274 AromaticContact CE2-CG 3.77Å; Y40-F274 HydrophobicContact CE2-CG 3.77Å; Y40-F274 AromaticContact CG-CD2 3.93Å; Y40-F274 HydrophobicContact CG-CD2 3.93Å; Y40-F274 HydrophobicContact CG-CE2 4.07Å; Y40-F274 AromaticContact CZ-CD2 3.59Å; Y40-F274 PolarHBondContact OH-N 3.25Å; I270-F274 PolarHBondContact O-N 2.99Å; A271-F274 PolarHBondContact O-N 2.63Å; A271-F274 VanDerWaalsContact O-N 3.14Å; E272-F274 PolarHBondContact O-N 2.65Å; F274-V276 PolarHBondContact O-N 2.96Å; F274-F277 HydrophobicContact CD2-CE2 4.46Å; F274-F277 HydrophobicContact CE2-CE2 4.23Å; F274-F277 HydrophobicContact CZ-CE2 4.35Å; F274-F277 WeakPolarHBondContact O-CD2 3.37Å
275Q98.1Very high98.3Very high110 Ų11059.2 Ų59.251%0.51431%0.314SS..  trans-81.354.2-177.3-66.9176.1-8.700112.5K243 Q247 A271 E272K243-Q275 PolarHBondContact NZ-O 3.2Å; K243-Q275 VanDerWaalsContact NZ-O 3.17Å; Q247-Q275 PolarHBondContact NE2-O 2.83Å; A271-Q275 PolarHBondContact O-N 3.42Å; E272-Q275 PolarHBondContact O-N 3.36Å; E272-Q275 VanDerWaalsContact O-N 3.1Å
276V98.3Very high98.4Very high0 Ų058.6 Ų58.60%031%0.309CS..  trans-119.49.4-176.1-65.70000113.4L16 Q247 I250 R251 L254 F274 F279L16-V276 HydrophobicContact CD2-CG2 3.9Å; Q247-V276 HydrophobicContact CB-CG1 3.99Å; Q247-V276 HydrophobicContact CG-CG1 4.06Å; I250-V276 HydrophobicContact CB-CG1 3.98Å; I250-V276 HydrophobicContact CG2-CB 4.19Å; I250-V276 HydrophobicContact CG2-CG1 3.75Å; I250-V276 HydrophobicContact CG2-CG2 3.86Å; R251-V276 WeakPolarHBondContact CD-O 3.46Å; R251-V276 PolarHBondContact NH1-O 3Å; L254-V276 HydrophobicContact CD1-CG2 3.79Å; F274-V276 PolarHBondContact O-N 2.96Å; V276-F279 HydrophobicContact CB-CE1 4.36Å; V276-F279 HydrophobicContact CG1-CE1 4.44Å
277F97.5Very high98.4Very high77 Ų7760.7 Ų60.734%0.33832%0.322SS..SBendtrans-103.5-9.5-178.1-61-71000113.9I15 L16 L254 F274I15-F277 HydrophobicContact CD1-CE1 3.91Å; I15-F277 HydrophobicContact CG1-CE1 4.14Å; I15-F277 HydrophobicContact CG1-CZ 4.49Å; L16-F277 HydrophobicContact CB-CZ 3.97Å; L16-F277 HydrophobicContact CD2-CE2 3.92Å; L16-F277 HydrophobicContact CD2-CZ 4.04Å; L254-F277 HydrophobicContact CD1-CE1 4.3Å; F274-F277 HydrophobicContact CD2-CE2 4.46Å; F274-F277 HydrophobicContact CE2-CE2 4.23Å; F274-F277 HydrophobicContact CZ-CE2 4.35Å; F274-F277 WeakPolarHBondContact O-CD2 3.37Å
278D96.9Very high98.4Very high112 Ų11260.7 Ų60.760%0.59932%0.321SS*.SBendtrans-99.53.6-173.865.2-28.6000114K243K243-D278 WeakPolarHBondContact CE-OD1 3.49Å; K243-D278 IonicContact NZ-OD1 3.99Å; K243-D278 PolarHBondContact NZ-OD1 2.93Å; K243-D278 IonicContact NZ-OD2 2.68Å; K243-D278 PolarHBondContact NZ-OD2 3.31Å
279F98.1Very high98.4Very high21 Ų2154.3 Ų54.39%0.09229%0.291CS..  trans-142.4166.9175.182.7-74.5000111.5H241 K243 Q247 R251 V276 L281H241-F279 HydrophobicContact CB-CD2 3.93Å; H241-F279 HydrophobicContact CB-CE2 4.27Å; H241-F279 AromaticContact CG-CD2 3.94Å; H241-F279 AromaticContact ND1-CD2 3.94Å; K243-F279 HydrophobicContact CB-CZ 4.48Å; K243-F279 HydrophobicContact CD-CD1 3.92Å; K243-F279 HydrophobicContact CD-CE1 4.01Å; K243-F279 HydrophobicContact CD-CG 4.41Å; K243-F279 HydrophobicContact CG-CD1 3.92Å; K243-F279 HydrophobicContact CG-CD2 4.14Å; K243-F279 HydrophobicContact CG-CE1 3.91Å; K243-F279 HydrophobicContact CG-CE2 4.14Å; K243-F279 HydrophobicContact CG-CG 4.02Å; K243-F279 HydrophobicContact CG-CZ 4.02Å; Q247-F279 HydrophobicContact CB-CE1 4.41Å; Q247-F279 HydrophobicContact CB-CZ 4.49Å; R251-F279 HydrophobicContact CB-CE1 3.95Å; R251-F279 HydrophobicContact CB-CE2 4.11Å; R251-F279 HydrophobicContact CB-CZ 3.42Å; R251-F279 VanDerWaalsContact CB-CZ 3.42Å; R251-F279 HydrophobicContact CG-CE1 4.08Å; R251-F279 HydrophobicContact CG-CE2 3.92Å; R251-F279 HydrophobicContact CG-CZ 3.63Å; R251-F279 PolarHBondContact NE-O 3.46Å; R251-F279 VanDerWaalsContact NE-O 3.14Å; R251-F279 PolarHBondContact NH1-O 3.45Å; R251-F279 PolarHBondContact NH2-O 3.3Å; V276-F279 HydrophobicContact CB-CE1 4.36Å; V276-F279 HydrophobicContact CG1-CE1 4.44Å; F279-L281 HydrophobicContact CE2-CD2 3.96Å; F279-L281 HydrophobicContact CE2-CG 4.21Å
280E98.3Very high98.4Very high129 Ų12949.3 Ų49.360%0.60328%0.276SS*.  trans-139.7130.8178-166.3172.7-176.900111.2H241 Q255H241-E280 PolarHBondContact CE1-O 3.14Å; Q255-E280 VanDerWaalsContact NE2-CG 3.32Å
281L98.6Very high98.4Very high4 Ų453.3 Ų53.32%0.02130%0.304CS..  trans-70.1130.4170.9-62.7170.7000109.1I237 V248 R251 F252 Q255 F279 D285 M286 L289I237-L281 HydrophobicContact CG2-CD2 3.82Å; V248-L281 HydrophobicContact CG1-CD1 4.46Å; V248-L281 HydrophobicContact CG1-CD2 4.11Å; V248-L281 HydrophobicContact CG2-CD2 4.45Å; R251-L281 HydrophobicContact CB-CD1 4.11Å; R251-L281 HydrophobicContact CB-CG 4.45Å; R251-L281 HydrophobicContact CG-CD1 3.94Å; R251-L281 HydrophobicContact CG-CG 3.92Å; F252-L281 HydrophobicContact CB-CD1 4.17Å; Q255-L281 PolarHBondContact NE2-O 3.42Å; F279-L281 HydrophobicContact CE2-CD2 3.96Å; F279-L281 HydrophobicContact CE2-CG 4.21Å; L281-D285 HydrophobicContact CB-CB 4.16Å; L281-D285 HydrophobicContact CD2-CB 4.29Å; L281-M286 HydrophobicContact CB-CG 4.04Å; L281-M286 HydrophobicContact CB-SD 3.7Å; L281-M286 HydrophobicContact CD1-SD 3.65Å; L281-M286 HydrophobicContact CG-SD 4.33Å; L281-L289 HydrophobicContact CD1-CD1 3.83Å
282S98.6Very high98.4Very high45 Ų4553.3 Ų53.332%0.31530%0.298SS..  trans-67161.1176.465.70000111.3K240 A284 D285 M286K240-S282 PolarHBondContact NZ-OG 3.29Å; S282-A284 PolarHBondContact O-N 3Å; S282-D285 WeakPolarHBondContact CB-OD2 3.44Å; S282-D285 PolarHBondContact N-OD2 3.22Å; S282-D285 VanDerWaalsContact N-OD2 3.08Å; S282-D285 PolarHBondContact O-N 3.01Å; S282-D285 PolarHBondContact OG-N 3.29Å; S282-D285 PolarHBondContact OG-OD2 3.34Å; S282-M286 WeakPolarHBondContact O-CG 3.43Å; S282-M286 PolarHBondContact O-N 3.44Å
283S98.4Very high98.4Very high101 Ų10153 Ų5371%0.70630%0.299SS*.Hα-helixtrans-55-36.1174.5-52.20000112.3M286 T287S283-M286 PolarHBondContact O-N 3.31Å; S283-T287 PolarHBondContact O-N 3.34Å; S283-T287 PolarHBondContact O-OG1 3.49Å; S283-T287 VanDerWaalsContact O-OG1 3.08Å
284A98.7Very high98.4Very high63 Ų6359.7 Ų59.752%0.52132%0.323SS..Hα-helixtrans-63.9-46.817400000112S282 M286 T287 T288S282-A284 PolarHBondContact O-N 3Å; A284-M286 VanDerWaalsContact C-N 3.31Å; A284-M286 PolarHBondContact O-N 3.3Å; A284-T287 PolarHBondContact O-N 3.34Å; A284-T288 WeakPolarHBondContact O-CB 3.32Å; A284-T288 PolarHBondContact O-N 3.19Å; A284-T288 PolarHBondContact O-OG1 3.15Å
285D98.8Very high98.3Very high12 Ų1262.6 Ų62.66%0.06434%0.341CS..Hα-helixtrans-60.7-42.5176.7-57.6-37.3000110.8I237 K240 H241 L281 S282 T288 L289I237-D285 HydrophobicContact CG2-CB 4.15Å; K240-D285 VanDerWaalsContact NZ-CG 3.28Å; K240-D285 IonicContact NZ-OD1 2.64Å; K240-D285 PolarHBondContact NZ-OD1 3.01Å; K240-D285 IonicContact NZ-OD2 3.35Å; K240-D285 PolarHBondContact NZ-OD2 2.89Å; H241-D285 IonicContact CE1-OD2 2.63Å; H241-D285 IonicContact NE2-OD2 2.88Å; H241-D285 PolarHBondContact NE2-OD2 3.03Å; L281-D285 HydrophobicContact CB-CB 4.16Å; L281-D285 HydrophobicContact CD2-CB 4.29Å; S282-D285 WeakPolarHBondContact CB-OD2 3.44Å; S282-D285 PolarHBondContact N-OD2 3.22Å; S282-D285 VanDerWaalsContact N-OD2 3.08Å; S282-D285 PolarHBondContact O-N 3.01Å; S282-D285 PolarHBondContact OG-N 3.29Å; S282-D285 PolarHBondContact OG-OD2 3.34Å; D285-T288 PolarHBondContact O-N 2.7Å; D285-L289 WeakPolarHBondContact O-CB 3.44Å; D285-L289 WeakPolarHBondContact O-CG 3.48Å; D285-L289 PolarHBondContact O-N 2.76Å
286M98.8Very high98.3Very high22 Ų2259.3 Ų59.311%0.10832%0.324CS..Hα-helixtrans-61.3-47.9177.1-68.9-59-64.300112.1F252 Q255 R256 L281 S282 S283 A284 T288 L289 L290F252-M286 HydrophobicContact CD2-CE 3.55Å; F252-M286 HydrophobicContact CD2-SD 3.84Å; F252-M286 HydrophobicContact CE2-CE 3.8Å; F252-M286 HydrophobicContact CE2-SD 4.45Å; F252-M286 WeakPolarHBondContact O-CE 3.34Å; Q255-M286 HydrophobicContact CB-CE 3.83Å; Q255-M286 HydrophobicContact CB-SD 3.99Å; R256-M286 HydrophobicContact CG-CE 3.49Å; R256-M286 VanDerWaalsContact CG-CE 3.49Å; L281-M286 HydrophobicContact CB-CG 4.04Å; L281-M286 HydrophobicContact CB-SD 3.7Å; L281-M286 HydrophobicContact CD1-SD 3.65Å; L281-M286 HydrophobicContact CG-SD 4.33Å; S282-M286 WeakPolarHBondContact O-CG 3.43Å; S282-M286 PolarHBondContact O-N 3.44Å; S283-M286 PolarHBondContact O-N 3.31Å; A284-M286 VanDerWaalsContact C-N 3.31Å; A284-M286 PolarHBondContact O-N 3.3Å; M286-T288 VanDerWaalsContact C-N 3.33Å; M286-T288 PolarHBondContact O-N 2.94Å; M286-L289 PolarHBondContact O-N 3.14Å; M286-L290 WeakPolarHBondContact O-CG 3.3Å; M286-L290 PolarHBondContact O-N 3.1Å
287T98.8Very high98.2Very high93 Ų9362 Ų6257%0.57134%0.335SS*.Hα-helixtrans-62.9-40.6175.9-62.10000111.6S283 A284 L290 S291S283-T287 PolarHBondContact O-N 3.34Å; S283-T287 PolarHBondContact O-OG1 3.49Å; S283-T287 VanDerWaalsContact O-OG1 3.08Å; A284-T287 PolarHBondContact O-N 3.34Å; T287-L290 PolarHBondContact O-N 3.32Å; T287-S291 PolarHBondContact O-N 3.04Å
288T98.8Very high98Very high55 Ų5558.6 Ų58.634%0.33732%0.32SS..Hα-helixtrans-63.3-46176.7-68.30000111.6I237 A284 D285 M286 L290 S291 Y292I237-T288 HydrophobicContact CD1-CG2 4.15Å; A284-T288 WeakPolarHBondContact O-CB 3.32Å; A284-T288 PolarHBondContact O-N 3.19Å; A284-T288 PolarHBondContact O-OG1 3.15Å; D285-T288 PolarHBondContact O-N 2.7Å; M286-T288 VanDerWaalsContact C-N 3.33Å; M286-T288 PolarHBondContact O-N 2.94Å; T288-L290 VanDerWaalsContact C-N 3.34Å; T288-L290 PolarHBondContact O-N 2.81Å; T288-S291 WeakPolarHBondContact O-CB 3.15Å; T288-S291 PolarHBondContact O-N 2.95Å; T288-S291 VanDerWaalsContact O-N 3.16Å; T288-S291 PolarHBondContact O-OG 3.25Å; T288-Y292 HydrophobicContact CG2-CE1 3.9Å; T288-Y292 HydrophobicContact CG2-CE2 4.32Å; T288-Y292 WeakPolarHBondContact CG2-OH 3.49Å; T288-Y292 WeakPolarHBondContact O-CD1 3.3Å; T288-Y292 WeakPolarHBondContact O-CE1 3.47Å
289L98.8Very high97.8Very high0 Ų054 Ų540%030%0.296CS..Hα-helixtrans-63.1-38.7176.4-71.9166000112.4P189 I234 I237 V248 F252 L281 D285 M286 S291 Y292P189-L289 HydrophobicContact CG-CD2 4.11Å; I234-L289 HydrophobicContact CD1-CD2 4.47Å; I234-L289 HydrophobicContact CG1-CD2 4.05Å; I234-L289 HydrophobicContact CG2-CD2 4.1Å; I237-L289 HydrophobicContact CD1-CD1 4.45Å; I237-L289 HydrophobicContact CD1-CD2 3.87Å; I237-L289 HydrophobicContact CD1-CG 3.85Å; V248-L289 HydrophobicContact CG1-CD1 3.94Å; V248-L289 HydrophobicContact CG1-CD2 4.31Å; F252-L289 HydrophobicContact CB-CD1 4.14Å; F252-L289 HydrophobicContact CD2-CB 3.73Å; F252-L289 HydrophobicContact CD2-CD1 3.71Å; F252-L289 HydrophobicContact CD2-CG 4.36Å; F252-L289 HydrophobicContact CE2-CB 3.63Å; F252-L289 HydrophobicContact CE2-CD1 4.46Å; F252-L289 HydrophobicContact CG-CB 4.42Å; F252-L289 HydrophobicContact CG-CD1 4.15Å; F252-L289 HydrophobicContact CZ-CB 4.25Å; L281-L289 HydrophobicContact CD1-CD1 3.83Å; D285-L289 WeakPolarHBondContact O-CB 3.44Å; D285-L289 WeakPolarHBondContact O-CG 3.48Å; D285-L289 PolarHBondContact O-N 2.76Å; M286-L289 PolarHBondContact O-N 3.14Å; L289-S291 VanDerWaalsContact C-N 3.31Å; L289-S291 PolarHBondContact O-N 3.32Å; L289-Y292 HydrophobicContact CD2-CD2 4.22Å; L289-Y292 HydrophobicContact CD2-CE2 4.08Å; L289-Y292 WeakPolarHBondContact O-CB 3.31Å; L289-Y292 PolarHBondContact O-N 3.09Å
290L98.8Very high97.2Very high47 Ų4754.2 Ų54.225%0.24630%0.302CS..Hα-helixtrans-61.6-39173.6-75.4163.5000112T192 E194 F252 M286 T287 T288 Y292 N293T192-L290 HydrophobicContact CG2-CD2 4.02Å; E194-L290 HydrophobicContact CG-CD2 4.3Å; F252-L290 HydrophobicContact CE2-CD2 4.23Å; F252-L290 HydrophobicContact CE2-CG 3.95Å; F252-L290 HydrophobicContact CZ-CD2 3.7Å; F252-L290 HydrophobicContact CZ-CG 3.88Å; M286-L290 WeakPolarHBondContact O-CG 3.3Å; M286-L290 PolarHBondContact O-N 3.1Å; T287-L290 PolarHBondContact O-N 3.32Å; T288-L290 VanDerWaalsContact C-N 3.34Å; T288-L290 PolarHBondContact O-N 2.81Å; L290-Y292 PolarHBondContact O-N 3.2Å; L290-N293 WeakPolarHBondContact O-CB 3.5Å; L290-N293 PolarHBondContact O-N 2.82Å; L290-N293 VanDerWaalsContact O-N 3.12Å
291S98.7Very high96.6Very high85 Ų8549.8 Ų49.859%0.59428%0.282SS*.THydrogen-bonded Turntrans-66-9.5179.177.70000114.6T287 T288 L289 N293T287-S291 PolarHBondContact O-N 3.04Å; T288-S291 WeakPolarHBondContact O-CB 3.15Å; T288-S291 PolarHBondContact O-N 2.95Å; T288-S291 VanDerWaalsContact O-N 3.16Å; T288-S291 PolarHBondContact O-OG 3.25Å; L289-S291 VanDerWaalsContact C-N 3.31Å; L289-S291 PolarHBondContact O-N 3.32Å; S291-N293 PolarHBondContact O-N 3.18Å
292Y98.7Very high96.3Very high24 Ų2455.2 Ų55.29%0.09432%0.315CS..THydrogen-bonded Turntrans-82.6-1.5175.9-58.2-18000113.1P189 Y190 R233 I234 T288 L289 L290 R294P189-Y292 HydrophobicContact CB-CD2 4.42Å; P189-Y292 CarbonylContact O-C 3.54Å; Y190-Y292 WeakPolarHBondContact CD1-O 3.23Å; R233-Y292 HydrophobicContact CB-CE1 4.4Å; R233-Y292 HydrophobicContact CB-CE2 3.98Å; R233-Y292 WeakPolarHBondContact CB-OH 3.24Å; I234-Y292 HydrophobicContact CD1-CD2 4.32Å; I234-Y292 HydrophobicContact CG1-CD2 3.95Å; I234-Y292 HydrophobicContact CG1-CE2 3.8Å; T288-Y292 HydrophobicContact CG2-CE1 3.9Å; T288-Y292 HydrophobicContact CG2-CE2 4.32Å; T288-Y292 WeakPolarHBondContact CG2-OH 3.49Å; T288-Y292 WeakPolarHBondContact O-CD1 3.3Å; T288-Y292 WeakPolarHBondContact O-CE1 3.47Å; L289-Y292 HydrophobicContact CD2-CD2 4.22Å; L289-Y292 HydrophobicContact CD2-CE2 4.08Å; L289-Y292 WeakPolarHBondContact O-CB 3.31Å; L289-Y292 PolarHBondContact O-N 3.09Å; L290-Y292 PolarHBondContact O-N 3.2Å; Y292-R294 PolarHBondContact O-N 3.22Å
293N98.6Very high96Very high51 Ų5154.8 Ų54.827%0.27331%0.312SS..  trans-53.3133.8176-172.938.4000110.6P189 Y190 L191 T192 L290 S291 N295P189-N293 VanDerWaalsContact O-CA 3.3Å; P189-N293 WeakPolarHBondContact O-CA 3.45Å; P189-N293 PolarHBondContact O-N 3.19Å; Y190-N293 PolarHBondContact O-OD1 2.87Å; L191-N293 WeakPolarHBondContact CA-OD1 3.21Å; T192-N293 HydrophobicContact CG2-CB 3.92Å; T192-N293 PolarHBondContact N-OD1 2.9Å; T192-N293 WeakPolarHBondContact OG1-CB 3.43Å; T192-N293 PolarHBondContact OG1-OD1 3.02Å; L290-N293 WeakPolarHBondContact O-CB 3.5Å; L290-N293 PolarHBondContact O-N 2.82Å; L290-N293 VanDerWaalsContact O-N 3.12Å; S291-N293 PolarHBondContact O-N 3.18Å; N293-N295 PolarHBondContact ND2-OD1 3.01Å; N293-N295 PolarHBondContact OD1-N 3.21Å
294R97.9Very high95.9Very high147 Ų14750 Ų5056%0.55528%0.279SS*.  trans-144.317.5179.162.1-176.2-53.1172.74.7111.9Y190 Y292 W296Y190-R294 HydrophobicContact CD1-CG 4.35Å; Y190-R294 HydrophobicContact CG-CG 4.17Å; Y190-R294 PolarHBondContact O-N 3.46Å; Y190-R294 VanDerWaalsContact O-N 3.14Å; Y292-R294 PolarHBondContact O-N 3.22Å; R294-W296 HydrophobicContact CG-CB 3.82Å; R294-W296 PolarHBondContact O-N 2.92Å; R294-W296 VanDerWaalsContact O-N 3.11Å
295N97.3Very high95.7Very high116 Ų11649.7 Ų49.762%0.6227%0.271SS*.  trans50.734.6-178.8-59-31000113Y190 N293Y190-N295 PolarHBondContact O-N 2.92Å; N293-N295 PolarHBondContact ND2-OD1 3.01Å; N293-N295 PolarHBondContact OD1-N 3.21Å
296W97.3Very high95.6Very high41 Ų4153.1 Ų53.116%0.15530%0.301CS..  trans-92116.7-178.6176.479.4000109.9H188 Y190 L191 D225 P226 R294 V298H188-W296 AromaticContact CE1-CE3 3.92Å; H188-W296 PolarHBondContact CE1-O 3.23Å; Y190-W296 HydrophobicContact CD2-CE3 4.07Å; Y190-W296 HydrophobicContact CD2-CZ3 4.41Å; Y190-W296 PolarHBondContact O-N 2.91Å; Y190-W296 VanDerWaalsContact O-N 3.1Å; L191-W296 WeakPolarHBondContact CB-O 3.48Å; D225-W296 HydrophobicContact CB-CZ2 4.07Å; P226-W296 HydrophobicContact CG-CD2 3.78Å; P226-W296 HydrophobicContact CG-CE3 4.26Å; P226-W296 HydrophobicContact CG-CG 4.05Å; P226-W296 HydrophobicContact CG-CZ2 4.15Å; R294-W296 HydrophobicContact CG-CB 3.82Å; R294-W296 PolarHBondContact O-N 2.92Å; R294-W296 VanDerWaalsContact O-N 3.11Å; W296-V298 HydrophobicContact CE3-CG2 4.2Å; W296-V298 HydrophobicContact CH2-CG2 3.56Å; W296-V298 HydrophobicContact CZ2-CG2 4.41Å; W296-V298 HydrophobicContact CZ3-CG2 3.42Å; W296-V298 VanDerWaalsContact CZ3-CG2 3.42Å
297R96.8Very high95.5Very high58 Ų5852.8 Ų52.822%0.21930%0.299CS..  trans-101.1130.6179.5-65.7-176.8-177.1-76.2-12.5111.3E186 L191 Q193E186-R297 VanDerWaalsContact OE1-CA 3.23Å; E186-R297 WeakPolarHBondContact OE1-CA 3.33Å; L191-R297 HydrophobicContact CD1-CG 3.91Å; L191-R297 HydrophobicContact CD2-CG 3.71Å; L191-R297 HydrophobicContact CG-CG 4.43Å; Q193-R297 VanDerWaalsContact OE1-NH2 3.11Å
298V93.3Very high95.4Very high5 Ų554.7 Ų54.73%0.0330%0.299CS..SBendtrans-72.9-46.8167.7176.80000109.9E186 R218 W220 W296E186-V298 VanDerWaalsContact CD-N 3.31Å; E186-V298 WeakPolarHBondContact OE1-CB 3.41Å; E186-V298 PolarHBondContact OE1-N 3.47Å; E186-V298 PolarHBondContact OE2-N 3.19Å; R218-V298 VanDerWaalsContact CD-CG1 3.45Å; W220-V298 PolarHBondContact NE1-O 3Å; W296-V298 HydrophobicContact CE3-CG2 4.2Å; W296-V298 HydrophobicContact CH2-CG2 3.56Å; W296-V298 HydrophobicContact CZ2-CG2 4.41Å; W296-V298 HydrophobicContact CZ3-CG2 3.42Å; W296-V298 VanDerWaalsContact CZ3-CG2 3.42Å
299C91.1Very high95.3Very high14 Ų1453 Ų5310%0.09529%0.288CS..  trans-112.7101.5-170.5-69.30000110.2E186 Y210 F312E186-C299 WeakPolarHBondContact OE2-CB 3.32Å; E186-C299 PolarHBondContact OE2-N 3.4Å; Y210-C299 HydrophobicContact CE2-CB 3.89Å; C299-F312 VanDerWaalsContact O-CE2 3.26Å; C299-F312 WeakPolarHBondContact O-CE2 3.49Å
300A87.3Confident95.3Very high27 Ų2754.2 Ų54.222%0.22329%0.293CS..  trans-126.36.4-177.900000114.9V302 Y310 F312A300-V302 PolarHBondContact O-N 3.12Å; A300-Y310 VanDerWaalsContact O-CE2 3.24Å; A300-Y310 WeakPolarHBondContact O-CE2 3.42Å; A300-Y310 PolarHBondContact O-OH 3.48Å; A300-F312 HydrophobicContact CB-CD2 4.5Å
301L85.9Confident95.3Very high35 Ų3552 Ų5218%0.18328%0.281CS..  trans30.169.5-178.8-69.5-174.5000114W112 F123 S303 C304W112-L301 HydrophobicContact CD2-CD1 3.53Å; W112-L301 HydrophobicContact CD2-CG 4.45Å; W112-L301 VanDerWaalsContact CE2-CD1 3.49Å; W112-L301 HydrophobicContact CE3-CD1 3.79Å; W112-L301 HydrophobicContact CG-CD1 4.07Å; W112-L301 HydrophobicContact CH2-CD1 4.04Å; W112-L301 HydrophobicContact CH2-CG 3.93Å; W112-L301 HydrophobicContact CZ2-CD1 3.78Å; W112-L301 HydrophobicContact CZ2-CG 3.84Å; W112-L301 HydrophobicContact CZ3-CD1 4.03Å; W112-L301 HydrophobicContact CZ3-CG 4.25Å; F123-L301 HydrophobicContact CE1-CD2 3.89Å; F123-L301 HydrophobicContact CZ-CD2 4.16Å; L301-S303 PolarHBondContact O-N 2.83Å; L301-S303 VanDerWaalsContact O-N 3.09Å; L301-C304 HydrophobicContact CB-CB 4.1Å; L301-C304 WeakPolarHBondContact O-CA 3.42Å; L301-C304 VanDerWaalsContact O-CB 3.27Å; L301-C304 WeakPolarHBondContact O-CB 3.21Å; L301-C304 PolarHBondContact O-N 3.08Å
302V90.8Very high95.2Very high118 Ų11849.5 Ų49.572%0.71526%0.26SS*.G310 helixtrans-59.3-30.4-167.2-162.60000113.3A300 C304 V305A300-V302 PolarHBondContact O-N 3.12Å; V302-C304 PolarHBondContact O-N 3.11Å; V302-V305 HydrophobicContact CG1-CG2 4.33Å; V302-V305 WeakPolarHBondContact O-CG2 3.48Å; V302-V305 PolarHBondContact O-N 3.32Å
303S92.6Very high95.1Very high36 Ų3654.5 Ų54.525%0.25228%0.284SS..G310 helixtrans-66.9-10.6174.155.80000114.3G129 V131 L301G129-S303 WeakPolarHBondContact O-CB 3.23Å; V131-S303 PolarHBondContact N-O 2.68Å; L301-S303 PolarHBondContact O-N 2.83Å; L301-S303 VanDerWaalsContact O-N 3.09Å
304C95.5Very high94.8Very high1 Ų153.4 Ų53.41%0.00728%0.282CS..G310 helixtrans-103.71.9-178.8-56.70000112.7F116 V131 L301 V302 A306 H307 Y310F116-C304 VanDerWaalsContact CZ-SG 3.53Å; V131-C304 HydrophobicContact CG1-CB 4.22Å; L301-C304 HydrophobicContact CB-CB 4.1Å; L301-C304 WeakPolarHBondContact O-CA 3.42Å; L301-C304 VanDerWaalsContact O-CB 3.27Å; L301-C304 WeakPolarHBondContact O-CB 3.21Å; L301-C304 PolarHBondContact O-N 3.08Å; V302-C304 PolarHBondContact O-N 3.11Å; C304-A306 PolarHBondContact O-N 3.01Å; C304-H307 HydrophobicContact CB-CB 4.49Å; C304-H307 WeakPolarHBondContact O-CB 3.25Å; C304-H307 PolarHBondContact O-N 2.82Å; C304-Y310 HydrophobicContact CB-CD2 4.16Å; C304-Y310 WeakPolarHBondContact O-CB 3.49Å; C304-Y310 WeakPolarHBondContact O-CD2 3.44Å
305V95.8Very high94.5Very high57 Ų5753.5 Ų53.535%0.34529%0.288SS..THydrogen-bonded Turntrans-58.2-33.5-175.3169.80000112.4V302 H307 Y310 H313V302-V305 HydrophobicContact CG1-CG2 4.33Å; V302-V305 WeakPolarHBondContact O-CG2 3.48Å; V302-V305 PolarHBondContact O-N 3.32Å; V305-H307 VanDerWaalsContact C-N 3.32Å; V305-Y310 HydrophobicContact CG2-CE1 4.32Å; V305-Y310 HydrophobicContact CG2-CE2 4.07Å; V305-H313 PolarHBondContact O-NE2 3Å
306A95.6Very high94.2Very high84 Ų8449.3 Ų49.369%0.69427%0.265SS*.THydrogen-bonded Turntrans-81.7-6.3176.400000114C304 K308C304-A306 PolarHBondContact O-N 3.01Å; A306-K308 PolarHBondContact O-N 2.95Å
307H97.5Very high94Very high14 Ų1449.8 Ų49.87%0.06527%0.27CS..SBendtrans-66135.5178.6-164.3-72.8000110.2T114 G115 C304 V305 D309 Y310T114-H307 HydrophobicContact CG2-CB 3.98Å; G115-H307 PolarHBondContact O-NE2 3.11Å; C304-H307 HydrophobicContact CB-CB 4.49Å; C304-H307 WeakPolarHBondContact O-CB 3.25Å; C304-H307 PolarHBondContact O-N 2.82Å; V305-H307 VanDerWaalsContact C-N 3.32Å; H307-D309 IonicContact CE1-OD2 2.64Å; H307-D309 PolarHBondContact CE1-OD2 2.64Å; H307-D309 PolarHBondContact ND1-N 3.48Å; H307-D309 VanDerWaalsContact ND1-N 3.11Å; H307-D309 IonicContact ND1-OD2 3.01Å; H307-D309 PolarHBondContact O-N 3.19Å; H307-Y310 WeakPolarHBondContact O-CB 3.36Å; H307-Y310 PolarHBondContact O-N 3.36Å
308K96.6Very high93.9Very high133 Ų13349.3 Ų49.358%0.57827%0.273SS*.THydrogen-bonded Turntrans-55.1-21.4179.769.1-179.5-179.5-173.60114.8A306A306-K308 PolarHBondContact O-N 2.95Å
309D97.7Very high93.9Very high19 Ų1951.8 Ų51.810%0.10229%0.287CS..THydrogen-bonded Turntrans-114.717-175.8-61.1-54.7000111.7P113 T114 F138 Q166 H307 P311P113-D309 HydrophobicContact CB-CB 4.43Å; P113-D309 WeakPolarHBondContact CG-O 3.19Å; T114-D309 HydrophobicContact CG2-CB 4.32Å; F138-D309 HydrophobicContact CE1-CB 4.46Å; F138-D309 WeakPolarHBondContact CE1-OD1 3.48Å; Q166-D309 PolarHBondContact NE2-O 3.37Å; H307-D309 IonicContact CE1-OD2 2.64Å; H307-D309 PolarHBondContact CE1-OD2 2.64Å; H307-D309 PolarHBondContact ND1-N 3.48Å; H307-D309 VanDerWaalsContact ND1-N 3.11Å; H307-D309 IonicContact ND1-OD2 3.01Å; H307-D309 PolarHBondContact O-N 3.19Å; D309-P311 WeakPolarHBondContact O-CD 3.48Å; D309-P311 VanDerWaalsContact O-N 3.13Å
310Y98.1Very high94.1Very high27 Ų2754 Ų5411%0.10630%0.298CS..  trans-59118.8175.9-178.2-104.6000110A300 C304 V305 H307 F312 H313A300-Y310 VanDerWaalsContact O-CE2 3.24Å; A300-Y310 WeakPolarHBondContact O-CE2 3.42Å; A300-Y310 PolarHBondContact O-OH 3.48Å; C304-Y310 HydrophobicContact CB-CD2 4.16Å; C304-Y310 WeakPolarHBondContact O-CB 3.49Å; C304-Y310 WeakPolarHBondContact O-CD2 3.44Å; V305-Y310 HydrophobicContact CG2-CE1 4.32Å; V305-Y310 HydrophobicContact CG2-CE2 4.07Å; H307-Y310 WeakPolarHBondContact O-CB 3.36Å; H307-Y310 PolarHBondContact O-N 3.36Å; Y310-F312 VanDerWaalsContact C-N 3.3Å; Y310-F312 HydrophobicContact CD1-CB 4.39Å; Y310-F312 HydrophobicContact CE1-CB 3.65Å; Y310-F312 HydrophobicContact CE1-CD2 4.41Å; Y310-F312 HydrophobicContact CE1-CG 4.43Å; Y310-F312 HydrophobicContact CE2-CD2 4.2Å; Y310-F312 AromaticContact CZ-CD2 3.83Å; Y310-F312 PolarHBondContact O-N 2.9Å; Y310-H313 AromaticContact CD1-CD2 3.51Å; Y310-H313 AromaticContact CD1-CE1 3.67Å; Y310-H313 AromaticContact CD1-CG 3.75Å; Y310-H313 AromaticContact CD1-ND1 3.86Å; Y310-H313 AromaticContact CD1-NE2 3.43Å; Y310-H313 WeakPolarHBondContact CD1-NE2 3.33Å
311P97.6Very high94.5Very high0 Ų055.7 Ų55.70%030%0.302CS..THydrogen-bonded Turntrans-75.1-18.8-164.424.7-32.4000114.3W112 P113 N161 N163 D309W112-P311 HydrophobicContact CE3-CG 4.09Å; W112-P311 HydrophobicContact CZ3-CG 3.96Å; P113-P311 HydrophobicContact CG-CB 3.94Å; P113-P311 HydrophobicContact CG-CG 4.02Å; N161-P311 HydrophobicContact CB-CG 4.46Å; N161-P311 WeakPolarHBondContact O-CB 3.39Å; N161-P311 VanDerWaalsContact O-CG 3.29Å; N161-P311 WeakPolarHBondContact O-CG 3.28Å; N163-P311 WeakPolarHBondContact CB-O 3.42Å; N163-P311 PolarHBondContact ND2-O 2.67Å; D309-P311 WeakPolarHBondContact O-CD 3.48Å; D309-P311 VanDerWaalsContact O-N 3.13Å
312F97.4Very high95.1Very high33 Ų3357.1 Ų57.115%0.14531%0.31CS..THydrogen-bonded Turntrans-103.613.2-165.9-47.8-41.9000114.4W112 N161 C299 A300 Y310 F316W112-F312 AromaticContact CH2-CE2 3.71Å; W112-F312 HydrophobicContact CH2-CE2 3.71Å; W112-F312 AromaticContact CH2-CZ 3.82Å; W112-F312 HydrophobicContact CH2-CZ 3.82Å; W112-F312 AromaticContact CZ3-CE2 3.49Å; W112-F312 HydrophobicContact CZ3-CE2 3.49Å; W112-F312 VanDerWaalsContact CZ3-CE2 3.49Å; W112-F312 AromaticContact CZ3-CZ 3.57Å; W112-F312 HydrophobicContact CZ3-CZ 3.57Å; N161-F312 HydrophobicContact CB-CZ 4.28Å; C299-F312 VanDerWaalsContact O-CE2 3.26Å; C299-F312 WeakPolarHBondContact O-CE2 3.49Å; A300-F312 HydrophobicContact CB-CD2 4.5Å; Y310-F312 VanDerWaalsContact C-N 3.3Å; Y310-F312 HydrophobicContact CD1-CB 4.39Å; Y310-F312 HydrophobicContact CE1-CB 3.65Å; Y310-F312 HydrophobicContact CE1-CD2 4.41Å; Y310-F312 HydrophobicContact CE1-CG 4.43Å; Y310-F312 HydrophobicContact CE2-CD2 4.2Å; Y310-F312 AromaticContact CZ-CD2 3.83Å; Y310-F312 PolarHBondContact O-N 2.9Å; F312-F316 HydrophobicContact CD1-CE1 4.39Å; F312-F316 HydrophobicContact CD1-CZ 4.11Å; F312-F316 HydrophobicContact CE1-CZ 4.49Å
313H96.1Very high95.4Very high129 Ų12952.7 Ų52.760%0.59728%0.281SS*.SBendtrans-75.7-35.5166.7-72.1-42.9000112.3V305 Y310V305-H313 PolarHBondContact O-NE2 3Å; Y310-H313 AromaticContact CD1-CD2 3.51Å; Y310-H313 AromaticContact CD1-CE1 3.67Å; Y310-H313 AromaticContact CD1-CG 3.75Å; Y310-H313 AromaticContact CD1-ND1 3.86Å; Y310-H313 AromaticContact CD1-NE2 3.43Å; Y310-H313 WeakPolarHBondContact CD1-NE2 3.33Å
314A93.5Very high95.6Very high28 Ų2854 Ų5423%0.23128%0.284CS..SBendtrans-74.5144.5-179.900000111.2L165 F316L165-A314 HydrophobicContact CD1-CB 4.38Å; A314-F316 VanDerWaalsContact O-CD1 3.31Å; A314-F316 WeakPolarHBondContact O-CD1 3.45Å
315E91.8Very high95.6Very high148 Ų14858.4 Ų58.469%0.69231%0.307SS*.  trans-77.4139172-164.4-167.6153.700110.8H164 K195H164-E315 PolarHBondContact CE1-O 3.38Å; H164-E315 VanDerWaalsContact CE1-O 3.23Å; K195-E315 IonicContact NZ-OE1 2.67Å; K195-E315 PolarHBondContact NZ-OE1 3.16Å
316F89.6Confident95.6Very high29 Ų2958.5 Ų58.513%0.12730%0.303CS..  trans-164.30170.158.9-87.7000110.1N163 K195 L196 F312 A314N163-F316 HydrophobicContact CB-CD1 4.22Å; N163-F316 HydrophobicContact CB-CE1 4.04Å; K195-F316 WeakPolarHBondContact CB-OXT 3.36Å; K195-F316 WeakPolarHBondContact CG-OXT 3.27Å; L196-F316 HydrophobicContact CB-CB 4.13Å; L196-F316 HydrophobicContact CB-CD2 3.4Å; L196-F316 HydrophobicContact CB-CE2 4.02Å; L196-F316 HydrophobicContact CB-CG 4.08Å; L196-F316 HydrophobicContact CD2-CD2 3.63Å; L196-F316 HydrophobicContact CD2-CE2 3.36Å; L196-F316 HydrophobicContact CD2-CG 4.42Å; L196-F316 HydrophobicContact CD2-CZ 4.1Å; L196-F316 HydrophobicContact CG-CD2 4.11Å; L196-F316 HydrophobicContact CG-CE2 4.32Å; F312-F316 HydrophobicContact CD1-CE1 4.39Å; F312-F316 HydrophobicContact CD1-CZ 4.11Å; F312-F316 HydrophobicContact CE1-CZ 4.49Å; A314-F316 VanDerWaalsContact O-CD1 3.31Å; A314-F316 WeakPolarHBondContact O-CD1 3.45Å

Retrieved 316 of 316 residues in 199.2 ms (Link to these results)

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