A0A087YDE5_POEFO Loading...

SRY-box transcription factor 1a

AlphaFold DB , UniProt , Accession A0A087YDE5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 304 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
1M91.9Very high96.4Very high143 Ų14362.1 Ų62.170%0.70431%0.31SS*.  0154.70-85.2148.714700109.5M5 V6M1-M5 HydrophobicContact CB-CB 4.36Å; M1-M5 HydrophobicContact CG-CB 4.42Å; M1-V6 HydrophobicContact CB-CG2 4.09Å
2N96.9Very high96.4Very high88 Ų8862.4 Ų62.447%0.47131%0.305SS..  trans-90.8169.9172.875.67.8000111.2F4 M5 V6N2-F4 PolarHBondContact O-N 2.73Å; N2-F4 PolarHBondContact OD1-N 3.43Å; N2-M5 PolarHBondContact O-N 2.96Å; N2-M5 VanDerWaalsContact O-N 3.13Å; N2-M5 VanDerWaalsContact OD1-CB 3.23Å; N2-M5 WeakPolarHBondContact OD1-CB 3.18Å; N2-M5 WeakPolarHBondContact OD1-CG 3.34Å; N2-M5 PolarHBondContact OD1-N 2.93Å; N2-V6 WeakPolarHBondContact O-CG2 3.3Å; N2-V6 PolarHBondContact O-N 3.34Å
3A96.8Very high96.4Very high18 Ų1870.3 Ų70.315%0.14933%0.33CS..Hα-helixtrans-56.8-46.9-175.600000113.5M5 V6 W7 W35 I47 A50A3-M5 VanDerWaalsContact C-N 3.33Å; A3-M5 PolarHBondContact O-N 3.06Å; A3-V6 PolarHBondContact O-N 3.24Å; A3-W7 PolarHBondContact O-N 2.84Å; A3-W35 HydrophobicContact CB-CH2 4.19Å; A3-W35 HydrophobicContact CB-CZ2 4.1Å; A3-I47 HydrophobicContact CB-CG1 3.92Å; A3-A50 HydrophobicContact CB-CB 4.09Å; A3-A50 VanDerWaalsContact N-CB 3.34Å
4F97.3Very high96.3Very high45 Ų4573.1 Ų73.120%0.19734%0.34CS..Hα-helixtrans-60.3-41.3176.5172.3-100.1000112.3N2 V6 W7 S8 W35N2-F4 PolarHBondContact O-N 2.73Å; N2-F4 PolarHBondContact OD1-N 3.43Å; F4-V6 VanDerWaalsContact C-N 3.32Å; F4-V6 PolarHBondContact O-N 3.22Å; F4-W7 AromaticContact CD2-CE3 3.94Å; F4-W7 HydrophobicContact CD2-CE3 3.94Å; F4-W7 HydrophobicContact CD2-CZ3 4.06Å; F4-W7 HydrophobicContact CE2-CE3 4.04Å; F4-W7 AromaticContact CE2-CZ3 3.73Å; F4-W7 HydrophobicContact CE2-CZ3 3.73Å; F4-W7 PolarHBondContact O-N 3.14Å; F4-S8 WeakPolarHBondContact O-CB 3.37Å; F4-S8 PolarHBondContact O-N 2.68Å; F4-S8 PolarHBondContact O-OG 3.33Å; F4-W35 HydrophobicContact CD2-CB 3.79Å; F4-W35 AromaticContact CD2-CD1 3.84Å; F4-W35 AromaticContact CD2-CD2 3.96Å; F4-W35 HydrophobicContact CD2-CD2 3.96Å; F4-W35 AromaticContact CD2-CG 3.57Å; F4-W35 HydrophobicContact CD2-CG 3.57Å; F4-W35 HydrophobicContact CE2-CB 3.93Å; F4-W35 HydrophobicContact CE2-CG 4.22Å
5M97.6Very high96.1Very high88 Ų8870.7 Ų70.743%0.43333%0.33SS..Hα-helixtrans-68.5-32.1178.8-68.7-67.3179.400112M1 N2 A3 R9M1-M5 HydrophobicContact CB-CB 4.36Å; M1-M5 HydrophobicContact CG-CB 4.42Å; N2-M5 PolarHBondContact O-N 2.96Å; N2-M5 VanDerWaalsContact O-N 3.13Å; N2-M5 VanDerWaalsContact OD1-CB 3.23Å; N2-M5 WeakPolarHBondContact OD1-CB 3.18Å; N2-M5 WeakPolarHBondContact OD1-CG 3.34Å; N2-M5 PolarHBondContact OD1-N 2.93Å; A3-M5 VanDerWaalsContact C-N 3.33Å; A3-M5 PolarHBondContact O-N 3.06Å; M5-R9 WeakPolarHBondContact O-CB 3.33Å; M5-R9 PolarHBondContact O-N 2.77Å
6V97.5Very high96.1Very high31 Ų3168.8 Ų68.819%0.18833%0.33CS..Hα-helixtrans-66.3-51.3173.8174.80000110M1 N2 A3 F4 F46 E49 A50 L53M1-V6 HydrophobicContact CB-CG2 4.09Å; N2-V6 WeakPolarHBondContact O-CG2 3.3Å; N2-V6 PolarHBondContact O-N 3.34Å; A3-V6 PolarHBondContact O-N 3.24Å; F4-V6 VanDerWaalsContact C-N 3.32Å; F4-V6 PolarHBondContact O-N 3.22Å; V6-F46 HydrophobicContact CG1-CD1 4.24Å; V6-E49 HydrophobicContact CG1-CB 4.31Å; V6-E49 HydrophobicContact CG1-CG 3.81Å; V6-A50 HydrophobicContact CG2-CB 4.27Å; V6-L53 HydrophobicContact CG2-CD1 3.77Å
7W97.5Very high96Very high9 Ų973.1 Ų73.13%0.03435%0.349CS..Hα-helixtrans-65-51.7179.3169.880.7000112.9A3 F4 R9 G10 Q11 L31 E34 W35 M38 F46A3-W7 PolarHBondContact O-N 2.84Å; F4-W7 AromaticContact CD2-CE3 3.94Å; F4-W7 HydrophobicContact CD2-CE3 3.94Å; F4-W7 HydrophobicContact CD2-CZ3 4.06Å; F4-W7 HydrophobicContact CE2-CE3 4.04Å; F4-W7 AromaticContact CE2-CZ3 3.73Å; F4-W7 HydrophobicContact CE2-CZ3 3.73Å; F4-W7 PolarHBondContact O-N 3.14Å; W7-R9 PolarHBondContact O-N 3.12Å; W7-R9 VanDerWaalsContact O-N 3.13Å; W7-G10 PolarHBondContact O-N 3.3Å; W7-Q11 HydrophobicContact CD2-CG 4.11Å; W7-Q11 HydrophobicContact CG-CG 4.49Å; W7-Q11 HydrophobicContact CH2-CG 4.41Å; W7-Q11 HydrophobicContact CZ2-CB 4.4Å; W7-Q11 HydrophobicContact CZ2-CG 3.73Å; W7-Q11 PolarHBondContact O-N 2.86Å; W7-L31 HydrophobicContact CH2-CB 4.09Å; W7-L31 HydrophobicContact CH2-CD2 3.85Å; W7-L31 VanDerWaalsContact CH2-O 3.25Å; W7-L31 WeakPolarHBondContact CH2-O 3.44Å; W7-L31 HydrophobicContact CZ3-CB 3.91Å; W7-L31 HydrophobicContact CZ3-CD2 4.27Å; W7-L31 WeakPolarHBondContact CZ3-O 3.26Å; W7-E34 HydrophobicContact CH2-CB 4.06Å; W7-E34 HydrophobicContact CH2-CG 4.16Å; W7-E34 HydrophobicContact CZ2-CB 4.46Å; W7-E34 HydrophobicContact CZ2-CG 4.05Å; W7-W35 HydrophobicContact CB-CE3 4.12Å; W7-W35 HydrophobicContact CB-CH2 4.42Å; W7-W35 HydrophobicContact CB-CZ3 3.63Å; W7-W35 AromaticContact CD2-CE3 3.49Å; W7-W35 HydrophobicContact CD2-CE3 3.49Å; W7-W35 VanDerWaalsContact CD2-CE3 3.49Å; W7-W35 AromaticContact CD2-CZ3 3.89Å; W7-W35 HydrophobicContact CD2-CZ3 3.89Å; W7-W35 HydrophobicContact CE3-CB 4.17Å; W7-W35 HydrophobicContact CE3-CD2 4.18Å; W7-W35 AromaticContact CE3-CE3 3.53Å; W7-W35 HydrophobicContact CE3-CE3 3.53Å; W7-W35 HydrophobicContact CE3-CG 4.48Å; W7-W35 HydrophobicContact CE3-CZ3 4.25Å; W7-W35 AromaticContact CG-CE3 3.77Å; W7-W35 HydrophobicContact CG-CE3 3.77Å; W7-W35 AromaticContact CG-CZ3 3.61Å; W7-W35 HydrophobicContact CG-CZ3 3.61Å; W7-W35 HydrophobicContact CH2-CB 4.06Å; W7-W35 HydrophobicContact CZ3-CB 3.68Å; W7-W35 HydrophobicContact CZ3-CE3 4.17Å; W7-W35 HydrophobicContact CZ3-CG 4.45Å; W7-M38 HydrophobicContact CD2-SD 4.36Å; W7-M38 VanDerWaalsContact CE2-SD 3.52Å; W7-M38 HydrophobicContact CH2-SD 4.38Å; W7-M38 HydrophobicContact CZ2-SD 3.53Å; W7-M38 VanDerWaalsContact CZ2-SD 3.53Å; W7-F46 HydrophobicContact CB-CB 4.25Å; W7-F46 HydrophobicContact CB-CD1 3.81Å; W7-F46 HydrophobicContact CB-CD2 4.14Å; W7-F46 HydrophobicContact CB-CE1 4.2Å; W7-F46 HydrophobicContact CB-CG 3.78Å; W7-F46 AromaticContact CD1-CD2 3.91Å; W7-F46 AromaticContact CD1-CE1 3.98Å; W7-F46 AromaticContact CD1-CE2 3.52Å; W7-F46 AromaticContact CD1-CZ 3.57Å; W7-F46 HydrophobicContact CG-CD2 4.33Å; W7-F46 HydrophobicContact CG-CE2 4.34Å; W7-F46 HydrophobicContact CG-CG 4.43Å; W7-F46 HydrophobicContact CG-CZ 4.45Å
8S97.1Very high95.8Very high0 Ų075.5 Ų75.50%036%0.36CS..Hα-helixtrans-64.9-20.8-174.7620000113.3F4 G10 R12F4-S8 WeakPolarHBondContact O-CB 3.37Å; F4-S8 PolarHBondContact O-N 2.68Å; F4-S8 PolarHBondContact O-OG 3.33Å; S8-G10 PolarHBondContact O-N 3.23Å; S8-R12 WeakPolarHBondContact O-CA 3.46Å; S8-R12 WeakPolarHBondContact O-CB 3.27Å; S8-R12 PolarHBondContact O-N 3.49Å
9R95.8Very high95.4Very high174 Ų17475.1 Ų75.166%0.65736%0.36SS*.Hα-helixtrans-61.1-44.4176.4-172.8179.6176.2-156.5-1.1111.7M5 W7M5-R9 WeakPolarHBondContact O-CB 3.33Å; M5-R9 PolarHBondContact O-N 2.77Å; W7-R9 PolarHBondContact O-N 3.12Å; W7-R9 VanDerWaalsContact O-N 3.13Å
10G95.3Very high95.1Very high31 Ų3177.1 Ų77.132%0.3238%0.379SS..Hα-helixtrans-71.4-48.917700000111.8W7 S8 R12 R13 K14W7-G10 PolarHBondContact O-N 3.3Å; S8-G10 PolarHBondContact O-N 3.23Å; G10-R12 PolarHBondContact O-N 3.1Å; G10-R13 WeakPolarHBondContact O-CB 3.23Å; G10-R13 PolarHBondContact O-N 3.22Å; G10-K14 PolarHBondContact O-N 2.93Å; G10-K14 VanDerWaalsContact O-N 3.13Å
11Q96.3Very high95Very high56 Ų5683.4 Ų83.426%0.26241%0.405SS..Hα-helixtrans-66.4-37.7-176.5-60.2-52.7-29.700113.1W7 R13 K14 M15 L31W7-Q11 HydrophobicContact CD2-CG 4.11Å; W7-Q11 HydrophobicContact CG-CG 4.49Å; W7-Q11 HydrophobicContact CH2-CG 4.41Å; W7-Q11 HydrophobicContact CZ2-CB 4.4Å; W7-Q11 HydrophobicContact CZ2-CG 3.73Å; W7-Q11 PolarHBondContact O-N 2.86Å; Q11-R13 VanDerWaalsContact C-N 3.3Å; Q11-R13 PolarHBondContact O-N 3.02Å; Q11-K14 PolarHBondContact O-N 2.9Å; Q11-M15 PolarHBondContact O-N 3.32Å; Q11-L31 HydrophobicContact CB-CD1 4.4Å; Q11-L31 HydrophobicContact CB-CD2 3.44Å; Q11-L31 VanDerWaalsContact CB-CD2 3.44Å; Q11-L31 HydrophobicContact CG-CD2 4.46Å
12R96.6Very high95Very high66 Ų6678.4 Ų78.425%0.24938%0.38CS..Hα-helixtrans-59.6-41.7174.4-179.8-174.6-73.5129.64.9111.7S8 G10 A16 N24 I27 L31S8-R12 WeakPolarHBondContact O-CA 3.46Å; S8-R12 WeakPolarHBondContact O-CB 3.27Å; S8-R12 PolarHBondContact O-N 3.49Å; G10-R12 PolarHBondContact O-N 3.1Å; R12-A16 VanDerWaalsContact O-CB 3.24Å; R12-A16 WeakPolarHBondContact O-CB 3.48Å; R12-A16 PolarHBondContact O-N 2.93Å; R12-N24 WeakPolarHBondContact CD-ND2 2.89Å; R12-I27 HydrophobicContact CB-CG2 4.3Å; R12-I27 HydrophobicContact CG-CG2 3.96Å; R12-L31 HydrophobicContact CB-CD1 3.72Å
13R96.3Very high94.8Very high165 Ų16580.8 Ų80.862%0.62339%0.388SS*.Hα-helixtrans-65-44.3178177.7171.851.7174.5-1.5111.1G10 Q11 A16 Q17G10-R13 WeakPolarHBondContact O-CB 3.23Å; G10-R13 PolarHBondContact O-N 3.22Å; Q11-R13 VanDerWaalsContact C-N 3.3Å; Q11-R13 PolarHBondContact O-N 3.02Å; R13-A16 PolarHBondContact O-N 3.26Å; R13-Q17 WeakPolarHBondContact O-CG 3.42Å; R13-Q17 PolarHBondContact O-N 3.4Å; R13-Q17 VanDerWaalsContact O-N 3.08Å
14K96.1Very high94.7Very high109 Ų10983.6 Ų83.647%0.47440%0.401SS..Hα-helixtrans-59.5-52.3175.1-177.8-178.5171.1-175.50111.7G10 Q11 A16 Q17 E18G10-K14 PolarHBondContact O-N 2.93Å; G10-K14 VanDerWaalsContact O-N 3.13Å; Q11-K14 PolarHBondContact O-N 2.9Å; K14-A16 VanDerWaalsContact C-N 3.31Å; K14-A16 PolarHBondContact O-N 3.06Å; K14-Q17 PolarHBondContact O-N 3.04Å; K14-Q17 VanDerWaalsContact O-N 3.11Å; K14-E18 WeakPolarHBondContact CE-OE1 3.28Å; K14-E18 WeakPolarHBondContact CG-OE1 3.42Å; K14-E18 IonicContact NZ-OE1 3.99Å; K14-E18 WeakPolarHBondContact O-CG 2.78Å; K14-E18 PolarHBondContact O-N 3.35Å
15M93.4Very high94.7Very high38 Ų3884.5 Ų84.519%0.18741%0.413CS..Hα-helixtrans-61.3-37.4179-78.4-166157.300113.2Q11 Q17 E18 N19 I27 R30 L31Q11-M15 PolarHBondContact O-N 3.32Å; M15-Q17 VanDerWaalsContact C-N 3.33Å; M15-E18 PolarHBondContact O-N 3.11Å; M15-N19 WeakPolarHBondContact O-CB 3.47Å; M15-N19 PolarHBondContact O-N 3.15Å; M15-I27 HydrophobicContact CB-CG2 3.91Å; M15-I27 HydrophobicContact SD-CG2 4.01Å; M15-R30 HydrophobicContact CE-CB 4.23Å; M15-R30 HydrophobicContact SD-CB 4.37Å; M15-L31 HydrophobicContact CE-CD2 4.24Å; M15-L31 HydrophobicContact CG-CD2 4.49Å; M15-L31 HydrophobicContact SD-CD2 3.67Å; M15-L31 HydrophobicContact SD-CG 3.97Å
16A94.8Very high94.6Very high40 Ų4083.1 Ų83.133%0.33141%0.405SS..Hα-helixtrans-68.4-31.9177.100000112.5R12 R13 K14 N19 P20 I27R12-A16 VanDerWaalsContact O-CB 3.24Å; R12-A16 WeakPolarHBondContact O-CB 3.48Å; R12-A16 PolarHBondContact O-N 2.93Å; R13-A16 PolarHBondContact O-N 3.26Å; K14-A16 VanDerWaalsContact C-N 3.31Å; K14-A16 PolarHBondContact O-N 3.06Å; A16-N19 CarbonylContact O-C 3.39Å; A16-P20 VanDerWaalsContact O-CA 3.29Å; A16-P20 WeakPolarHBondContact O-CA 3.49Å; A16-I27 HydrophobicContact CB-CD1 3.98Å
17Q94.5Very high94.5Very high141 Ų14181.9 Ų81.966%0.65940%0.397SS*.Hα-helixtrans-73-42174.9-74.4165.2-14.400111.7R13 K14 M15 N19R13-Q17 WeakPolarHBondContact O-CG 3.42Å; R13-Q17 PolarHBondContact O-N 3.4Å; R13-Q17 VanDerWaalsContact O-N 3.08Å; K14-Q17 PolarHBondContact O-N 3.04Å; K14-Q17 VanDerWaalsContact O-N 3.11Å; M15-Q17 VanDerWaalsContact C-N 3.33Å; Q17-N19 VanDerWaalsContact C-N 3.33Å
18E92.1Very high94.5Very high117 Ų11783.1 Ų83.155%0.54741%0.408SS..Hα-helixtrans-70.3-31.1177.6-68.3172.4179.900112.4K14 M15K14-E18 WeakPolarHBondContact CE-OE1 3.28Å; K14-E18 WeakPolarHBondContact CG-OE1 3.42Å; K14-E18 IonicContact NZ-OE1 3.99Å; K14-E18 WeakPolarHBondContact O-CG 2.78Å; K14-E18 PolarHBondContact O-N 3.35Å; M15-E18 PolarHBondContact O-N 3.11Å
19N88.3Confident94.5Very high68 Ų6889.3 Ų89.336%0.36444%0.435SS..  trans-130.672.5-177.8-62.9-95.7000110.9M15 A16 Q17 K21 M22M15-N19 WeakPolarHBondContact O-CB 3.47Å; M15-N19 PolarHBondContact O-N 3.15Å; A16-N19 CarbonylContact O-C 3.39Å; Q17-N19 VanDerWaalsContact C-N 3.33Å; N19-K21 PolarHBondContact O-N 3.12Å; N19-K21 VanDerWaalsContact O-N 3.09Å; N19-M22 HydrophobicContact CB-CB 3.72Å; N19-M22 HydrophobicContact CB-CE 3.8Å; N19-M22 HydrophobicContact CB-SD 4.44Å; N19-M22 VanDerWaalsContact O-CB 3.3Å; N19-M22 WeakPolarHBondContact O-CB 3.28Å; N19-M22 PolarHBondContact O-N 3.14Å
20P90.1Very high94.5Very high114 Ų11486.7 Ų86.774%0.7443%0.425SS*.THydrogen-bonded Turntrans-65-18.1-173.924.6-34000114.1A16A16-P20 VanDerWaalsContact O-CA 3.29Å; A16-P20 WeakPolarHBondContact O-CA 3.49Å
21K92.3Very high94.6Very high211 Ų21185.2 Ų85.292%0.91741%0.41SS*.THydrogen-bonded Turntrans-88.3-9.1174.3-65.5-176.7178.4178.70113.5N19N19-K21 PolarHBondContact O-N 3.12Å; N19-K21 VanDerWaalsContact O-N 3.09Å
22M91.9Very high94.7Very high38 Ų3884 Ų8419%0.18741%0.412CS..SBendtrans-79.7125.9-177.4-170.8-179.5-6500110.8N19 E26 I27 R30N19-M22 HydrophobicContact CB-CB 3.72Å; N19-M22 HydrophobicContact CB-CE 3.8Å; N19-M22 HydrophobicContact CB-SD 4.44Å; N19-M22 VanDerWaalsContact O-CB 3.3Å; N19-M22 WeakPolarHBondContact O-CB 3.28Å; N19-M22 PolarHBondContact O-N 3.14Å; M22-E26 HydrophobicContact CG-CB 3.93Å; M22-E26 HydrophobicContact CG-CG 3.92Å; M22-E26 HydrophobicContact SD-CB 4.42Å; M22-E26 HydrophobicContact SD-CG 4Å; M22-I27 HydrophobicContact CB-CG1 4.33Å; M22-I27 HydrophobicContact CG-CG1 3.83Å; M22-I27 HydrophobicContact SD-CG1 3.64Å; M22-R30 VanDerWaalsContact CE-CZ 3.46Å; M22-R30 VanDerWaalsContact CE-NH1 3.31Å
23H94.4Very high94.7Very high137 Ų13783.6 Ų83.663%0.63442%0.423SS*.  trans-72.3149.8179.5-166.558.2000112S25 E26 I27H23-S25 PolarHBondContact CD2-OG 3.39Å; H23-S25 VanDerWaalsContact CD2-OG 3.28Å; H23-S25 PolarHBondContact O-N 2.65Å; H23-E26 WeakPolarHBondContact O-CB 3.43Å; H23-E26 PolarHBondContact O-N 3.17Å; H23-I27 PolarHBondContact O-N 3.38Å
24N94.3Very high94.8Very high77 Ų7779.3 Ų79.341%0.41241%0.41SS..Hα-helixtrans-60.3-31.3-174.3-168.4-82.9000113.8R12 E26 I27 S28R12-N24 WeakPolarHBondContact CD-ND2 2.89Å; N24-E26 VanDerWaalsContact C-N 3.26Å; N24-E26 PolarHBondContact O-N 3.34Å; N24-I27 PolarHBondContact O-N 3.26Å; N24-S28 WeakPolarHBondContact O-CB 3.28Å; N24-S28 PolarHBondContact O-N 2.95Å; N24-S28 PolarHBondContact O-OG 3.42Å; N24-S28 PolarHBondContact OD1-OG 3.32Å
25S95.9Very high94.8Very high65 Ų6576.3 Ų76.346%0.45540%0.395SS..Hα-helixtrans-61.6-37.1175.8650000111.8H23 K29H23-S25 PolarHBondContact CD2-OG 3.39Å; H23-S25 VanDerWaalsContact CD2-OG 3.28Å; H23-S25 PolarHBondContact O-N 2.65Å; S25-K29 WeakPolarHBondContact O-CE 3.44Å; S25-K29 WeakPolarHBondContact O-CG 3.25Å; S25-K29 PolarHBondContact O-N 2.9Å; S25-K29 VanDerWaalsContact O-N 3.12Å
26E96.4Very high95Very high59 Ų5982.7 Ų82.728%0.27642%0.422SS..Hα-helixtrans-73.7-44.6177.2-174.157.5-152.600111.2M22 H23 N24 S28 K29 R30M22-E26 HydrophobicContact CG-CB 3.93Å; M22-E26 HydrophobicContact CG-CG 3.92Å; M22-E26 HydrophobicContact SD-CB 4.42Å; M22-E26 HydrophobicContact SD-CG 4Å; H23-E26 WeakPolarHBondContact O-CB 3.43Å; H23-E26 PolarHBondContact O-N 3.17Å; N24-E26 VanDerWaalsContact C-N 3.26Å; N24-E26 PolarHBondContact O-N 3.34Å; E26-S28 VanDerWaalsContact C-N 3.28Å; E26-S28 PolarHBondContact O-N 2.88Å; E26-K29 WeakPolarHBondContact O-CB 3.21Å; E26-K29 PolarHBondContact O-N 3.49Å; E26-K29 VanDerWaalsContact O-N 3.14Å; E26-K29 VanDerWaalsContact OE2-CE 3.3Å; E26-K29 WeakPolarHBondContact OE2-CE 3.3Å; E26-K29 IonicContact OE2-NZ 2.65Å; E26-K29 PolarHBondContact OE2-NZ 3.01Å; E26-R30 PolarHBondContact O-N 3.11Å; E26-R30 IonicContact OE1-NE 3.3Å; E26-R30 PolarHBondContact OE1-NE 3.09Å; E26-R30 IonicContact OE1-NH2 3.79Å
27I95.6Very high95.1Very high4 Ų486.7 Ų86.72%0.02144%0.442CS..Hα-helixtrans-56.4-46173.8-60.8173.6000110.1R12 M15 A16 M22 H23 N24 K29 R30 L31R12-I27 HydrophobicContact CB-CG2 4.3Å; R12-I27 HydrophobicContact CG-CG2 3.96Å; M15-I27 HydrophobicContact CB-CG2 3.91Å; M15-I27 HydrophobicContact SD-CG2 4.01Å; A16-I27 HydrophobicContact CB-CD1 3.98Å; M22-I27 HydrophobicContact CB-CG1 4.33Å; M22-I27 HydrophobicContact CG-CG1 3.83Å; M22-I27 HydrophobicContact SD-CG1 3.64Å; H23-I27 PolarHBondContact O-N 3.38Å; N24-I27 PolarHBondContact O-N 3.26Å; I27-K29 VanDerWaalsContact C-N 3.33Å; I27-K29 PolarHBondContact O-N 2.91Å; I27-R30 PolarHBondContact O-N 3.08Å; I27-L31 HydrophobicContact CG2-CD1 3.77Å; I27-L31 HydrophobicContact CG2-CG 4.13Å; I27-L31 WeakPolarHBondContact O-CB 3.48Å; I27-L31 VanDerWaalsContact O-CG 3.26Å; I27-L31 WeakPolarHBondContact O-CG 3.46Å; I27-L31 PolarHBondContact O-N 3.1Å
28S96.6Very high95.2Very high36 Ų3681.3 Ų81.325%0.25242%0.418SS..Hα-helixtrans-64.4-35.6179.9-63.60000112.7N24 E26 G32N24-S28 WeakPolarHBondContact O-CB 3.28Å; N24-S28 PolarHBondContact O-N 2.95Å; N24-S28 PolarHBondContact O-OG 3.42Å; N24-S28 PolarHBondContact OD1-OG 3.32Å; E26-S28 VanDerWaalsContact C-N 3.28Å; E26-S28 PolarHBondContact O-N 2.88Å; S28-G32 PolarHBondContact O-N 2.98Å
29K97.4Very high95.4Very high130 Ų13078.4 Ų78.457%0.56541%0.41SS*.Hα-helixtrans-62-48.6172.9-83.1-178.2-91.6157.70111.6S25 E26 I27 G32 A33S25-K29 WeakPolarHBondContact O-CE 3.44Å; S25-K29 WeakPolarHBondContact O-CG 3.25Å; S25-K29 PolarHBondContact O-N 2.9Å; S25-K29 VanDerWaalsContact O-N 3.12Å; E26-K29 WeakPolarHBondContact O-CB 3.21Å; E26-K29 PolarHBondContact O-N 3.49Å; E26-K29 VanDerWaalsContact O-N 3.14Å; E26-K29 VanDerWaalsContact OE2-CE 3.3Å; E26-K29 WeakPolarHBondContact OE2-CE 3.3Å; E26-K29 IonicContact OE2-NZ 2.65Å; E26-K29 PolarHBondContact OE2-NZ 3.01Å; I27-K29 VanDerWaalsContact C-N 3.33Å; I27-K29 PolarHBondContact O-N 2.91Å; K29-G32 PolarHBondContact O-N 3.07Å; K29-A33 PolarHBondContact O-N 2.96Å; K29-A33 VanDerWaalsContact O-N 3.15Å
30R96.6Very high95.7Very high119 Ų11982.2 Ų82.245%0.44943%0.425SS..Hα-helixtrans-64.4-46-179.9-66-177.2-174.5-160.10.8112.4M15 M22 E26 I27 G32 A33 E34M15-R30 HydrophobicContact CE-CB 4.23Å; M15-R30 HydrophobicContact SD-CB 4.37Å; M22-R30 VanDerWaalsContact CE-CZ 3.46Å; M22-R30 VanDerWaalsContact CE-NH1 3.31Å; E26-R30 PolarHBondContact O-N 3.11Å; E26-R30 IonicContact OE1-NE 3.3Å; E26-R30 PolarHBondContact OE1-NE 3.09Å; E26-R30 IonicContact OE1-NH2 3.79Å; I27-R30 PolarHBondContact O-N 3.08Å; R30-G32 VanDerWaalsContact C-N 3.28Å; R30-G32 PolarHBondContact O-N 3.25Å; R30-A33 WeakPolarHBondContact O-CB 3.41Å; R30-A33 PolarHBondContact O-N 3.04Å; R30-A33 VanDerWaalsContact O-N 3.11Å; R30-E34 PolarHBondContact O-N 2.92Å
31L97.1Very high96.1Very high0 Ų079.8 Ų79.80%042%0.415CS..Hα-helixtrans-61.7-36.4176.5-67.8179.7000112.3W7 Q11 R12 M15 I27 W35W7-L31 HydrophobicContact CH2-CB 4.09Å; W7-L31 HydrophobicContact CH2-CD2 3.85Å; W7-L31 VanDerWaalsContact CH2-O 3.25Å; W7-L31 WeakPolarHBondContact CH2-O 3.44Å; W7-L31 HydrophobicContact CZ3-CB 3.91Å; W7-L31 HydrophobicContact CZ3-CD2 4.27Å; W7-L31 WeakPolarHBondContact CZ3-O 3.26Å; Q11-L31 HydrophobicContact CB-CD1 4.4Å; Q11-L31 HydrophobicContact CB-CD2 3.44Å; Q11-L31 VanDerWaalsContact CB-CD2 3.44Å; Q11-L31 HydrophobicContact CG-CD2 4.46Å; R12-L31 HydrophobicContact CB-CD1 3.72Å; M15-L31 HydrophobicContact CE-CD2 4.24Å; M15-L31 HydrophobicContact CG-CD2 4.49Å; M15-L31 HydrophobicContact SD-CD2 3.67Å; M15-L31 HydrophobicContact SD-CG 3.97Å; I27-L31 HydrophobicContact CG2-CD1 3.77Å; I27-L31 HydrophobicContact CG2-CG 4.13Å; I27-L31 WeakPolarHBondContact O-CB 3.48Å; I27-L31 VanDerWaalsContact O-CG 3.26Å; I27-L31 WeakPolarHBondContact O-CG 3.46Å; I27-L31 PolarHBondContact O-N 3.1Å; L31-W35 VanDerWaalsContact O-CB 3.28Å; L31-W35 WeakPolarHBondContact O-CB 3.3Å; L31-W35 PolarHBondContact O-N 2.99Å
32G97.6Very high96.2Very high30 Ų3074.6 Ų74.631%0.30939%0.394SS..Hα-helixtrans-62.8-41.3174.100000112.7S28 K29 R30 K36S28-G32 PolarHBondContact O-N 2.98Å; K29-G32 PolarHBondContact O-N 3.07Å; R30-G32 VanDerWaalsContact C-N 3.28Å; R30-G32 PolarHBondContact O-N 3.25Å; G32-K36 PolarHBondContact O-N 2.92Å; G32-K36 VanDerWaalsContact O-N 3.12Å
33A97.6Very high96.5Very high58 Ų5874.3 Ų74.348%0.47939%0.392SS..Hα-helixtrans-67.1-46176.600000111.9K29 R30 K36 V37K29-A33 PolarHBondContact O-N 2.96Å; K29-A33 VanDerWaalsContact O-N 3.15Å; R30-A33 WeakPolarHBondContact O-CB 3.41Å; R30-A33 PolarHBondContact O-N 3.04Å; R30-A33 VanDerWaalsContact O-N 3.11Å; A33-K36 WeakPolarHBondContact O-CB 3.29Å; A33-K36 PolarHBondContact O-N 3.21Å; A33-K36 VanDerWaalsContact O-N 3.1Å; A33-V37 PolarHBondContact O-N 3.49Å
34E97Very high96.6Very high75 Ų7575 Ų7535%0.3539%0.389SS..Hα-helixtrans-61.2-46.6177.4-174.3178172.200111.4W7 R30 K36 V37 M38W7-E34 HydrophobicContact CH2-CB 4.06Å; W7-E34 HydrophobicContact CH2-CG 4.16Å; W7-E34 HydrophobicContact CZ2-CB 4.46Å; W7-E34 HydrophobicContact CZ2-CG 4.05Å; R30-E34 PolarHBondContact O-N 2.92Å; E34-K36 PolarHBondContact O-N 3.09Å; E34-V37 VanDerWaalsContact O-CG2 3.23Å; E34-V37 WeakPolarHBondContact O-CG2 3.45Å; E34-V37 PolarHBondContact O-N 2.79Å; E34-V37 VanDerWaalsContact O-N 3.14Å; E34-M38 WeakPolarHBondContact O-CG 3.48Å; E34-M38 PolarHBondContact O-N 3.45Å
35W97.4Very high96.8Very high45 Ų4574.9 Ų74.917%0.1739%0.393CS..Hα-helixtrans-58-36.1173.8-178.5-103.5000112.5A3 F4 W7 L31 V37 M38 K43 F46A3-W35 HydrophobicContact CB-CH2 4.19Å; A3-W35 HydrophobicContact CB-CZ2 4.1Å; F4-W35 HydrophobicContact CD2-CB 3.79Å; F4-W35 AromaticContact CD2-CD1 3.84Å; F4-W35 AromaticContact CD2-CD2 3.96Å; F4-W35 HydrophobicContact CD2-CD2 3.96Å; F4-W35 AromaticContact CD2-CG 3.57Å; F4-W35 HydrophobicContact CD2-CG 3.57Å; F4-W35 HydrophobicContact CE2-CB 3.93Å; F4-W35 HydrophobicContact CE2-CG 4.22Å; W7-W35 HydrophobicContact CB-CE3 4.12Å; W7-W35 HydrophobicContact CB-CH2 4.42Å; W7-W35 HydrophobicContact CB-CZ3 3.63Å; W7-W35 AromaticContact CD2-CE3 3.49Å; W7-W35 HydrophobicContact CD2-CE3 3.49Å; W7-W35 VanDerWaalsContact CD2-CE3 3.49Å; W7-W35 AromaticContact CD2-CZ3 3.89Å; W7-W35 HydrophobicContact CD2-CZ3 3.89Å; W7-W35 HydrophobicContact CE3-CB 4.17Å; W7-W35 HydrophobicContact CE3-CD2 4.18Å; W7-W35 AromaticContact CE3-CE3 3.53Å; W7-W35 HydrophobicContact CE3-CE3 3.53Å; W7-W35 HydrophobicContact CE3-CG 4.48Å; W7-W35 HydrophobicContact CE3-CZ3 4.25Å; W7-W35 AromaticContact CG-CE3 3.77Å; W7-W35 HydrophobicContact CG-CE3 3.77Å; W7-W35 AromaticContact CG-CZ3 3.61Å; W7-W35 HydrophobicContact CG-CZ3 3.61Å; W7-W35 HydrophobicContact CH2-CB 4.06Å; W7-W35 HydrophobicContact CZ3-CB 3.68Å; W7-W35 HydrophobicContact CZ3-CE3 4.17Å; W7-W35 HydrophobicContact CZ3-CG 4.45Å; L31-W35 VanDerWaalsContact O-CB 3.28Å; L31-W35 WeakPolarHBondContact O-CB 3.3Å; L31-W35 PolarHBondContact O-N 2.99Å; W35-V37 VanDerWaalsContact C-N 3.35Å; W35-M38 HydrophobicContact CE3-SD 3.91Å; W35-M38 HydrophobicContact CZ3-CE 4.49Å; W35-M38 HydrophobicContact CZ3-SD 4.45Å; W35-K43 HydrophobicContact CE3-CG 4.28Å; W35-K43 HydrophobicContact CH2-CB 3.92Å; W35-K43 HydrophobicContact CH2-CD 4.4Å; W35-K43 HydrophobicContact CH2-CG 3.64Å; W35-K43 HydrophobicContact CZ2-CB 4.3Å; W35-K43 HydrophobicContact CZ2-CD 4.13Å; W35-K43 HydrophobicContact CZ2-CG 3.88Å; W35-K43 HydrophobicContact CZ3-CB 4.45Å; W35-K43 HydrophobicContact CZ3-CG 3.85Å; W35-K43 WeakPolarHBondContact O-CE 3.49Å; W35-K43 PolarHBondContact O-NZ 3.24Å; W35-F46 HydrophobicContact CH2-CB 4.17Å; W35-F46 HydrophobicContact CZ3-CB 4.46Å; W35-F46 HydrophobicContact CZ3-CD2 4.17Å
36K97.3Very high96.8Very high173 Ų17374.7 Ų74.775%0.75238%0.384SS*.Hα-helixtrans-64.3-42.1179.2-170.2178.1179-176.50111.3G32 A33 E34 K43G32-K36 PolarHBondContact O-N 2.92Å; G32-K36 VanDerWaalsContact O-N 3.12Å; A33-K36 WeakPolarHBondContact O-CB 3.29Å; A33-K36 PolarHBondContact O-N 3.21Å; A33-K36 VanDerWaalsContact O-N 3.1Å; E34-K36 PolarHBondContact O-N 3.09Å; K36-K43 PolarHBondContact O-NZ 2.98Å
37V97.1Very high96.8Very high124 Ų12474.8 Ų74.875%0.75239%0.385SS*.Hα-helixtrans-85-17.7-176.2-59.20000114.2A33 E34 W35A33-V37 PolarHBondContact O-N 3.49Å; E34-V37 VanDerWaalsContact O-CG2 3.23Å; E34-V37 WeakPolarHBondContact O-CG2 3.45Å; E34-V37 PolarHBondContact O-N 2.79Å; E34-V37 VanDerWaalsContact O-N 3.14Å; W35-V37 VanDerWaalsContact C-N 3.35Å
38M95.5Very high96.9Very high28 Ų2878.6 Ų78.614%0.13841%0.406CS..SBendtrans-57.2140.8173.4-79.2174.87600111.9W7 E34 W35 E42 K43 F46W7-M38 HydrophobicContact CD2-SD 4.36Å; W7-M38 VanDerWaalsContact CE2-SD 3.52Å; W7-M38 HydrophobicContact CH2-SD 4.38Å; W7-M38 HydrophobicContact CZ2-SD 3.53Å; W7-M38 VanDerWaalsContact CZ2-SD 3.53Å; E34-M38 WeakPolarHBondContact O-CG 3.48Å; E34-M38 PolarHBondContact O-N 3.45Å; W35-M38 HydrophobicContact CE3-SD 3.91Å; W35-M38 HydrophobicContact CZ3-CE 4.49Å; W35-M38 HydrophobicContact CZ3-SD 4.45Å; M38-E42 HydrophobicContact CE-CB 3.77Å; M38-K43 HydrophobicContact CB-CG 4.28Å; M38-K43 WeakPolarHBondContact O-CE 3.35Å; M38-K43 PolarHBondContact O-NZ 2.71Å; M38-F46 HydrophobicContact CE-CE2 4.41Å
39S97.3Very high97Very high55 Ų5579.9 Ų79.939%0.38541%0.408SS..  trans-69.3158.2177.7690000111.8A41 E42 K43S39-A41 PolarHBondContact O-N 3.38Å; S39-E42 WeakPolarHBondContact CB-OE2 3.38Å; S39-E42 PolarHBondContact N-OE2 3.44Å; S39-E42 PolarHBondContact O-N 3.39Å; S39-E42 VanDerWaalsContact OG-CD 3.3Å; S39-E42 VanDerWaalsContact OG-CG 3.27Å; S39-E42 WeakPolarHBondContact OG-CG 2.98Å; S39-E42 PolarHBondContact OG-N 3.4Å; S39-E42 PolarHBondContact OG-OE2 3.23Å; S39-K43 VanDerWaalsContact O-CG 3.3Å; S39-K43 WeakPolarHBondContact O-CG 3.3Å; S39-K43 PolarHBondContact O-N 3.4Å
40E95.4Very high97Very high148 Ų14874.2 Ų74.269%0.69239%0.385SS*.Hα-helixtrans-62.8-31.5175.3-70.6-176.8-177.500112.6E42 K43 R44E40-E42 VanDerWaalsContact C-N 3.33Å; E40-E42 PolarHBondContact O-N 3.2Å; E40-K43 PolarHBondContact O-N 3.02Å; E40-R44 WeakPolarHBondContact O-CG 3.5Å; E40-R44 PolarHBondContact O-N 3.13Å
41A96.6Very high97Very high64 Ų6474.4 Ų74.453%0.52939%0.389SS..Hα-helixtrans-62.6-40.9176.100000111.7S39 K43 P45S39-A41 PolarHBondContact O-N 3.38Å; A41-K43 VanDerWaalsContact C-N 3.35Å; A41-P45 WeakPolarHBondContact O-CD 3.28Å
42E95.7Very high97.1Very high102 Ų10280.1 Ų80.148%0.47741%0.411SS..Hα-helixtrans-73.4-29.3176-65.5164.2121.500112.2M38 S39 E40 P45 F46M38-E42 HydrophobicContact CE-CB 3.77Å; S39-E42 WeakPolarHBondContact CB-OE2 3.38Å; S39-E42 PolarHBondContact N-OE2 3.44Å; S39-E42 PolarHBondContact O-N 3.39Å; S39-E42 VanDerWaalsContact OG-CD 3.3Å; S39-E42 VanDerWaalsContact OG-CG 3.27Å; S39-E42 WeakPolarHBondContact OG-CG 2.98Å; S39-E42 PolarHBondContact OG-N 3.4Å; S39-E42 PolarHBondContact OG-OE2 3.23Å; E40-E42 VanDerWaalsContact C-N 3.33Å; E40-E42 PolarHBondContact O-N 3.2Å; E42-P45 WeakPolarHBondContact O-CD 3.4Å; E42-P45 WeakPolarHBondContact O-CG 3.16Å; E42-F46 VanDerWaalsContact O-CD2 3.28Å; E42-F46 WeakPolarHBondContact O-CD2 3.45Å; E42-F46 VanDerWaalsContact O-CE2 3.28Å; E42-F46 WeakPolarHBondContact O-CE2 3.33Å
43K97.1Very high97.1Very high32 Ų3281 Ų8114%0.13941%0.408CS..Hα-helixtrans-76.7-30.2176.8-68.9168.3172.1155.60113W35 K36 M38 S39 E40 A41 F46 I47W35-K43 HydrophobicContact CE3-CG 4.28Å; W35-K43 HydrophobicContact CH2-CB 3.92Å; W35-K43 HydrophobicContact CH2-CD 4.4Å; W35-K43 HydrophobicContact CH2-CG 3.64Å; W35-K43 HydrophobicContact CZ2-CB 4.3Å; W35-K43 HydrophobicContact CZ2-CD 4.13Å; W35-K43 HydrophobicContact CZ2-CG 3.88Å; W35-K43 HydrophobicContact CZ3-CB 4.45Å; W35-K43 HydrophobicContact CZ3-CG 3.85Å; W35-K43 WeakPolarHBondContact O-CE 3.49Å; W35-K43 PolarHBondContact O-NZ 3.24Å; K36-K43 PolarHBondContact O-NZ 2.98Å; M38-K43 HydrophobicContact CB-CG 4.28Å; M38-K43 WeakPolarHBondContact O-CE 3.35Å; M38-K43 PolarHBondContact O-NZ 2.71Å; S39-K43 VanDerWaalsContact O-CG 3.3Å; S39-K43 WeakPolarHBondContact O-CG 3.3Å; S39-K43 PolarHBondContact O-N 3.4Å; E40-K43 PolarHBondContact O-N 3.02Å; A41-K43 VanDerWaalsContact C-N 3.35Å; K43-F46 PolarHBondContact O-N 2.81Å; K43-I47 HydrophobicContact CB-CD1 3.89Å; K43-I47 HydrophobicContact CB-CG1 4.43Å; K43-I47 WeakPolarHBondContact O-CG1 3.46Å; K43-I47 PolarHBondContact O-N 3.48Å
44R97.2Very high97Very high151 Ų15186.8 Ų86.857%0.5742%0.418SS*.Hα-helixtrans-44.9-53.7-178.1-93.4-179.7175.5123.52.3114.2E40 F46 I47 D48E40-R44 WeakPolarHBondContact O-CG 3.5Å; E40-R44 PolarHBondContact O-N 3.13Å; R44-F46 PolarHBondContact O-N 2.85Å; R44-I47 WeakPolarHBondContact O-CB 3.38Å; R44-I47 PolarHBondContact O-N 2.94Å; R44-I47 VanDerWaalsContact O-N 3.09Å; R44-D48 PolarHBondContact O-N 2.99Å
45P97.3Very high97Very high75 Ų7586.2 Ų86.249%0.48743%0.426SS..Hα-helixtrans-58.4-36.7-179.521.3-33.9000112.8A41 E42 E49A41-P45 WeakPolarHBondContact O-CD 3.28Å; E42-P45 WeakPolarHBondContact O-CD 3.4Å; E42-P45 WeakPolarHBondContact O-CG 3.16Å; P45-E49 VanDerWaalsContact O-CB 3.3Å; P45-E49 WeakPolarHBondContact O-CB 3.24Å; P45-E49 PolarHBondContact O-N 3.17Å
46F97.3Very high96.9Very high61 Ų6187.5 Ų87.527%0.26844%0.435SS..Hα-helixtrans-77.5-30178.7-52.9-70.8000113V6 W7 W35 M38 E42 K43 R44 A50V6-F46 HydrophobicContact CG1-CD1 4.24Å; W7-F46 HydrophobicContact CB-CB 4.25Å; W7-F46 HydrophobicContact CB-CD1 3.81Å; W7-F46 HydrophobicContact CB-CD2 4.14Å; W7-F46 HydrophobicContact CB-CE1 4.2Å; W7-F46 HydrophobicContact CB-CG 3.78Å; W7-F46 AromaticContact CD1-CD2 3.91Å; W7-F46 AromaticContact CD1-CE1 3.98Å; W7-F46 AromaticContact CD1-CE2 3.52Å; W7-F46 AromaticContact CD1-CZ 3.57Å; W7-F46 HydrophobicContact CG-CD2 4.33Å; W7-F46 HydrophobicContact CG-CE2 4.34Å; W7-F46 HydrophobicContact CG-CG 4.43Å; W7-F46 HydrophobicContact CG-CZ 4.45Å; W35-F46 HydrophobicContact CH2-CB 4.17Å; W35-F46 HydrophobicContact CZ3-CB 4.46Å; W35-F46 HydrophobicContact CZ3-CD2 4.17Å; M38-F46 HydrophobicContact CE-CE2 4.41Å; E42-F46 VanDerWaalsContact O-CD2 3.28Å; E42-F46 WeakPolarHBondContact O-CD2 3.45Å; E42-F46 VanDerWaalsContact O-CE2 3.28Å; E42-F46 WeakPolarHBondContact O-CE2 3.33Å; K43-F46 PolarHBondContact O-N 2.81Å; R44-F46 PolarHBondContact O-N 2.85Å; F46-A50 VanDerWaalsContact O-CB 3.28Å; F46-A50 WeakPolarHBondContact O-CB 3.35Å; F46-A50 PolarHBondContact O-N 3.42Å
47I96.2Very high96.9Very high60 Ų6082.2 Ų82.231%0.30841%0.412SS..Hα-helixtrans-66-47.7172.8-68.9166.8000109.7A3 K43 R44 A50 K51A3-I47 HydrophobicContact CB-CG1 3.92Å; K43-I47 HydrophobicContact CB-CD1 3.89Å; K43-I47 HydrophobicContact CB-CG1 4.43Å; K43-I47 WeakPolarHBondContact O-CG1 3.46Å; K43-I47 PolarHBondContact O-N 3.48Å; R44-I47 WeakPolarHBondContact O-CB 3.38Å; R44-I47 PolarHBondContact O-N 2.94Å; R44-I47 VanDerWaalsContact O-N 3.09Å; I47-A50 PolarHBondContact O-N 3.2Å; I47-K51 HydrophobicContact CG2-CD 4.5Å; I47-K51 WeakPolarHBondContact O-CG 3.32Å; I47-K51 PolarHBondContact O-N 2.99Å
48D97.8Very high96.9Very high84 Ų8480.1 Ų80.145%0.44940%0.395SS..Hα-helixtrans-69.7-37.8-178.8-65.6-25.7000111.5R44 A50 K51 R52R44-D48 PolarHBondContact O-N 2.99Å; D48-A50 PolarHBondContact O-N 3.45Å; D48-K51 WeakPolarHBondContact O-CB 3.44Å; D48-K51 PolarHBondContact O-N 3.14Å; D48-K51 IonicContact OD1-NZ 2.92Å; D48-K51 PolarHBondContact OD1-NZ 3.37Å; D48-R52 WeakPolarHBondContact O-CB 3.05Å; D48-R52 PolarHBondContact O-N 3.46Å
49E97.5Very high96.9Very high64 Ų6487 Ų8730%0.29943%0.425SS..Hα-helixtrans-63.2-40.5171.7-179.157.2-163.900112.1V6 P45 K51 R52 L53V6-E49 HydrophobicContact CG1-CB 4.31Å; V6-E49 HydrophobicContact CG1-CG 3.81Å; P45-E49 VanDerWaalsContact O-CB 3.3Å; P45-E49 WeakPolarHBondContact O-CB 3.24Å; P45-E49 PolarHBondContact O-N 3.17Å; E49-K51 VanDerWaalsContact C-N 3.35Å; E49-K51 PolarHBondContact O-N 3.36Å; E49-R52 WeakPolarHBondContact O-CB 3.23Å; E49-R52 PolarHBondContact O-N 3.03Å; E49-R52 IonicContact OE1-CZ 3.44Å; E49-R52 IonicContact OE1-NE 3.03Å; E49-R52 PolarHBondContact OE1-NE 2.77Å; E49-R52 IonicContact OE1-NH2 2.7Å; E49-R52 PolarHBondContact OE1-NH2 3.13Å; E49-R52 IonicContact OE2-CZ 3.67Å; E49-R52 IonicContact OE2-NE 3.63Å; E49-R52 PolarHBondContact OE2-NE 3.17Å; E49-R52 IonicContact OE2-NH2 3.67Å; E49-L53 HydrophobicContact CG-CD1 4.25Å; E49-L53 WeakPolarHBondContact O-CB 3.49Å; E49-L53 WeakPolarHBondContact O-CG 3.44Å; E49-L53 PolarHBondContact O-N 3.28Å
50A97.6Very high96.9Very high10 Ų1090.1 Ų90.18%0.08343%0.433CS..Hα-helixtrans-64.9-37.8174.800000112.6A3 V6 F46 I47 D48 R54A3-A50 HydrophobicContact CB-CB 4.09Å; A3-A50 VanDerWaalsContact N-CB 3.34Å; V6-A50 HydrophobicContact CG2-CB 4.27Å; F46-A50 VanDerWaalsContact O-CB 3.28Å; F46-A50 WeakPolarHBondContact O-CB 3.35Å; F46-A50 PolarHBondContact O-N 3.42Å; I47-A50 PolarHBondContact O-N 3.2Å; D48-A50 PolarHBondContact O-N 3.45Å; A50-R54 WeakPolarHBondContact O-CB 3.48Å; A50-R54 PolarHBondContact O-N 3.39Å
51K97.9Very high96.9Very high124 Ų12487.5 Ų87.554%0.53942%0.421SS..Hα-helixtrans-63.5-45.7172.5-70.2172.5-167.9156.30110.8I47 D48 E49 L53 R54 A55I47-K51 HydrophobicContact CG2-CD 4.5Å; I47-K51 WeakPolarHBondContact O-CG 3.32Å; I47-K51 PolarHBondContact O-N 2.99Å; D48-K51 WeakPolarHBondContact O-CB 3.44Å; D48-K51 PolarHBondContact O-N 3.14Å; D48-K51 IonicContact OD1-NZ 2.92Å; D48-K51 PolarHBondContact OD1-NZ 3.37Å; E49-K51 VanDerWaalsContact C-N 3.35Å; E49-K51 PolarHBondContact O-N 3.36Å; K51-L53 PolarHBondContact O-N 3.28Å; K51-R54 WeakPolarHBondContact O-CB 3.4Å; K51-R54 PolarHBondContact O-N 3.43Å; K51-R54 VanDerWaalsContact O-N 3.16Å; K51-A55 PolarHBondContact O-N 3.16Å
52R97.9Very high96.8Very high119 Ų11989.4 Ų89.445%0.44943%0.428SS..Hα-helixtrans-57.9-49.4177.1-168.7-164.870.278.30.5110.9D48 E49 R54 A55 M56D48-R52 WeakPolarHBondContact O-CB 3.05Å; D48-R52 PolarHBondContact O-N 3.46Å; E49-R52 WeakPolarHBondContact O-CB 3.23Å; E49-R52 PolarHBondContact O-N 3.03Å; E49-R52 IonicContact OE1-CZ 3.44Å; E49-R52 IonicContact OE1-NE 3.03Å; E49-R52 PolarHBondContact OE1-NE 2.77Å; E49-R52 IonicContact OE1-NH2 2.7Å; E49-R52 PolarHBondContact OE1-NH2 3.13Å; E49-R52 IonicContact OE2-CZ 3.67Å; E49-R52 IonicContact OE2-NE 3.63Å; E49-R52 PolarHBondContact OE2-NE 3.17Å; E49-R52 IonicContact OE2-NH2 3.67Å; R52-R54 VanDerWaalsContact C-N 3.3Å; R52-R54 PolarHBondContact O-N 3.38Å; R52-A55 PolarHBondContact O-N 3.06Å; R52-M56 WeakPolarHBondContact O-CB 3.39Å; R52-M56 WeakPolarHBondContact O-CG 3.48Å; R52-M56 PolarHBondContact O-N 3.32Å
53L97.7Very high96.8Very high50 Ų5092 Ų9226%0.26245%0.445SS..Hα-helixtrans-61.6-37.1176.6-72.6172000112.4V6 E49 K51 H57V6-L53 HydrophobicContact CG2-CD1 3.77Å; E49-L53 HydrophobicContact CG-CD1 4.25Å; E49-L53 WeakPolarHBondContact O-CB 3.49Å; E49-L53 WeakPolarHBondContact O-CG 3.44Å; E49-L53 PolarHBondContact O-N 3.28Å; K51-L53 PolarHBondContact O-N 3.28Å; L53-H57 VanDerWaalsContact O-CB 3.27Å; L53-H57 WeakPolarHBondContact O-CB 3.5Å; L53-H57 PolarHBondContact O-N 3.21Å
54R95.8Very high96.7Very high179 Ų17996.4 Ų96.468%0.67546%0.461SS*.Hα-helixtrans-66.2-46175.1-173.3178.6-176.3177.50.1111.3A50 K51 R52 H57 M58A50-R54 WeakPolarHBondContact O-CB 3.48Å; A50-R54 PolarHBondContact O-N 3.39Å; K51-R54 WeakPolarHBondContact O-CB 3.4Å; K51-R54 PolarHBondContact O-N 3.43Å; K51-R54 VanDerWaalsContact O-N 3.16Å; R52-R54 VanDerWaalsContact C-N 3.3Å; R52-R54 PolarHBondContact O-N 3.38Å; R54-H57 PolarHBondContact O-N 2.84Å; R54-M58 VanDerWaalsContact O-CG 3.31Å; R54-M58 WeakPolarHBondContact O-CG 3.4Å; R54-M58 PolarHBondContact O-N 2.95Å
55A96.4Very high96.6Very high63 Ų6396.2 Ų96.252%0.52147%0.465SS..Hα-helixtrans-61.5-45.7178.100000111.5K51 R52 H57 M58 K59K51-A55 PolarHBondContact O-N 3.16Å; R52-A55 PolarHBondContact O-N 3.06Å; A55-H57 VanDerWaalsContact C-N 3.34Å; A55-H57 PolarHBondContact O-N 3.47Å; A55-M58 PolarHBondContact O-N 3.46Å; A55-K59 PolarHBondContact O-N 2.86Å
56M96.5Very high96.5Very high72 Ų72101 Ų10136%0.35547%0.474SS..Hα-helixtrans-56.7-47.5173-72.3-62.6-61.500111.3R52 M58 K59 E60R52-M56 WeakPolarHBondContact O-CB 3.39Å; R52-M56 WeakPolarHBondContact O-CG 3.48Å; R52-M56 PolarHBondContact O-N 3.32Å; M56-M58 PolarHBondContact O-N 3.29Å; M56-K59 PolarHBondContact O-N 2.82Å; M56-K59 VanDerWaalsContact O-N 3.15Å; M56-E60 WeakPolarHBondContact CE-OE1 3.33Å; M56-E60 WeakPolarHBondContact O-CB 3.27Å; M56-E60 WeakPolarHBondContact O-CG 3.49Å; M56-E60 PolarHBondContact O-N 3.28Å
57H97.3Very high96.4Very high61 Ų61107.2 Ų107.228%0.28250%0.496SS..Hα-helixtrans-62.6-38.6179.2-174.365.3000113.2L53 R54 A55 K59 H61 Y64L53-H57 VanDerWaalsContact O-CB 3.27Å; L53-H57 WeakPolarHBondContact O-CB 3.5Å; L53-H57 PolarHBondContact O-N 3.21Å; R54-H57 PolarHBondContact O-N 2.84Å; A55-H57 VanDerWaalsContact C-N 3.34Å; A55-H57 PolarHBondContact O-N 3.47Å; H57-K59 VanDerWaalsContact C-N 3.35Å; H57-H61 AromaticContact CE1-CD2 3.46Å; H57-H61 PolarHBondContact CE1-CD2 2.95Å; H57-H61 VanDerWaalsContact CE1-CD2 3.46Å; H57-H61 AromaticContact ND1-CD2 3.27Å; H57-H61 PolarHBondContact ND1-CD2 3.23Å; H57-H61 VanDerWaalsContact ND1-CD2 3.27Å; H57-H61 AromaticContact ND1-NE2 3.93Å; H57-H61 WeakPolarHBondContact O-CB 3.22Å; H57-H61 PolarHBondContact O-N 3.13Å; H57-Y64 AromaticContact CD2-CD1 3.94Å; H57-Y64 AromaticContact CE1-CD2 3.96Å; H57-Y64 AromaticContact NE2-CD1 3.43Å; H57-Y64 WeakPolarHBondContact NE2-CD1 3.47Å; H57-Y64 AromaticContact NE2-CD2 3.46Å; H57-Y64 WeakPolarHBondContact NE2-CD2 3.47Å; H57-Y64 AromaticContact NE2-CE1 3.47Å; H57-Y64 WeakPolarHBondContact NE2-CE1 3.38Å; H57-Y64 AromaticContact NE2-CE2 3.5Å; H57-Y64 AromaticContact NE2-CG 3.4Å; H57-Y64 AromaticContact NE2-CZ 3.49Å
58M96Very high96.3Very high81 Ų81108.6 Ų108.640%0.39951%0.509SS..Hα-helixtrans-68.4-34.4175.4-61.7-65.276.700112.2R54 A55 M56 H61 P62 Y64R54-M58 VanDerWaalsContact O-CG 3.31Å; R54-M58 WeakPolarHBondContact O-CG 3.4Å; R54-M58 PolarHBondContact O-N 2.95Å; A55-M58 PolarHBondContact O-N 3.46Å; M56-M58 PolarHBondContact O-N 3.29Å; M58-H61 CarbonylContact O-C 3.42Å; M58-P62 WeakPolarHBondContact O-CA 3.31Å; M58-Y64 HydrophobicContact CE-CD1 3.72Å; M58-Y64 HydrophobicContact CE-CG 4.39Å
59K96.6Very high96.1Very high173 Ų173115.2 Ų115.275%0.75253%0.527SS*.Hα-helixtrans-71-45.4176.3-177.6-177.3176.9-177.20112A55 M56 H57 H61A55-K59 PolarHBondContact O-N 2.86Å; M56-K59 PolarHBondContact O-N 2.82Å; M56-K59 VanDerWaalsContact O-N 3.15Å; H57-K59 VanDerWaalsContact C-N 3.35Å; K59-H61 VanDerWaalsContact C-N 3.32Å
60E96.9Very high95.8Very high120 Ų120123.4 Ų123.456%0.56156%0.556SS**Hα-helixtrans-73.2-26.5-178.9-70.7173.8175.300112.3M56M56-E60 WeakPolarHBondContact CE-OE1 3.33Å; M56-E60 WeakPolarHBondContact O-CB 3.27Å; M56-E60 WeakPolarHBondContact O-CG 3.49Å; M56-E60 PolarHBondContact O-N 3.28Å
61H94.7Very high95.3Very high93 Ų93131.3 Ų131.343%0.43159%0.588SS.*  trans-13277.1179.3-52.4-79000111H57 M58 K59 D63 Y64H57-H61 AromaticContact CE1-CD2 3.46Å; H57-H61 PolarHBondContact CE1-CD2 2.95Å; H57-H61 VanDerWaalsContact CE1-CD2 3.46Å; H57-H61 AromaticContact ND1-CD2 3.27Å; H57-H61 PolarHBondContact ND1-CD2 3.23Å; H57-H61 VanDerWaalsContact ND1-CD2 3.27Å; H57-H61 AromaticContact ND1-NE2 3.93Å; H57-H61 WeakPolarHBondContact O-CB 3.22Å; H57-H61 PolarHBondContact O-N 3.13Å; M58-H61 CarbonylContact O-C 3.42Å; K59-H61 VanDerWaalsContact C-N 3.32Å; H61-D63 VanDerWaalsContact C-N 3.27Å; H61-D63 PolarHBondContact O-N 3.02Å; H61-Y64 WeakPolarHBondContact O-CB 3.32Å; H61-Y64 PolarHBondContact O-N 2.79Å; H61-Y64 VanDerWaalsContact O-N 3.08Å
62P95.3Very high94.4Very high104 Ų104131.7 Ų131.768%0.67560%0.601SS**THydrogen-bonded Turntrans-63.2-32.4-178.324.7-33.8000112.8M58 Y64M58-P62 WeakPolarHBondContact O-CA 3.31Å; P62-Y64 VanDerWaalsContact C-N 3.28Å; P62-Y64 PolarHBondContact O-N 3.35Å
63D95.6Very high93.5Very high157 Ų157135.2 Ų135.284%0.8462%0.619SS**THydrogen-bonded Turntrans-85.73.1177.7-60.4-40.7000113.5H61 K65H61-D63 VanDerWaalsContact C-N 3.27Å; H61-D63 PolarHBondContact O-N 3.02Å; D63-K65 PolarHBondContact O-N 2.7Å; D63-K65 VanDerWaalsContact O-N 3.07Å
64Y96.1Very high92.2Very high123 Ų123138.3 Ų138.348%0.48264%0.641SS.*  trans-64115.7-178.9180-95.3000111H57 M58 H61 P62H57-Y64 AromaticContact CD2-CD1 3.94Å; H57-Y64 AromaticContact CE1-CD2 3.96Å; H57-Y64 AromaticContact NE2-CD1 3.43Å; H57-Y64 WeakPolarHBondContact NE2-CD1 3.47Å; H57-Y64 AromaticContact NE2-CD2 3.46Å; H57-Y64 WeakPolarHBondContact NE2-CD2 3.47Å; H57-Y64 AromaticContact NE2-CE1 3.47Å; H57-Y64 WeakPolarHBondContact NE2-CE1 3.38Å; H57-Y64 AromaticContact NE2-CE2 3.5Å; H57-Y64 AromaticContact NE2-CG 3.4Å; H57-Y64 AromaticContact NE2-CZ 3.49Å; M58-Y64 HydrophobicContact CE-CD1 3.72Å; M58-Y64 HydrophobicContact CE-CG 4.39Å; H61-Y64 WeakPolarHBondContact O-CB 3.32Å; H61-Y64 PolarHBondContact O-N 2.79Å; H61-Y64 VanDerWaalsContact O-N 3.08Å; P62-Y64 VanDerWaalsContact C-N 3.28Å; P62-Y64 PolarHBondContact O-N 3.35Å
65K94.2Very high90.8Very high148 Ų148137.6 Ų137.664%0.64365%0.65SS**  trans-124.3117.1175.7-171.6168.8-176.1166.90110.9D63 R67D63-K65 PolarHBondContact O-N 2.7Å; D63-K65 VanDerWaalsContact O-N 3.07Å; K65-R67 HydrophobicContact CG-CG 4.3Å; K65-R67 PolarHBondContact O-N 2.99Å
66Y95.4Very high89.1Confident175 Ų175141.6 Ų141.669%0.68666%0.661SS**  trans-68.5116.2172.8-177.5-120.1000110.5P68Y66-P68 HydrophobicContact CD1-CG 4Å; Y66-P68 HydrophobicContact CE1-CG 3.53Å
67R94.6Very high87.1Confident192 Ų192146.4 Ų146.473%0.72568%0.68SS**  trans-120.993.5178.7-72.3177.4166.4-107.65109.6K65 R69K65-R67 HydrophobicContact CG-CG 4.3Å; K65-R67 PolarHBondContact O-N 2.99Å; R67-R69 PolarHBondContact O-N 3.46Å
68P94.8Very high85Confident89 Ų89152.1 Ų152.158%0.57870%0.704SS**  trans-55125175.2-23.831.4000111.3Y66 R70Y66-P68 HydrophobicContact CD1-CG 4Å; Y66-P68 HydrophobicContact CE1-CG 3.53Å; P68-R70 PolarHBondContact O-N 3.22Å
69R93.9Very high83Confident222 Ų222154.9 Ų154.984%0.83872%0.721SS**  trans-81.3111176.6-170.5162.3-175.1-100.7-1.2109.7R67 K71R67-R69 PolarHBondContact O-N 3.46Å; R69-K71 PolarHBondContact O-N 3.27Å
70R91.1Very high80.9Confident237 Ų237154.2 Ų154.289%0.89472%0.718SS**  trans-68.5129.5169.2-65.3179.371.3-175.22.1108.5P68P68-R70 PolarHBondContact O-N 3.22Å
71K85.6Confident78.6Confident176 Ų176159.6 Ų159.677%0.76574%0.735SS**  trans-92.3132.3167.5-63.9-172.4179.9-175.20108.2R69 K73R69-K71 PolarHBondContact O-N 3.27Å; K71-K73 PolarHBondContact O-N 3.29Å; K71-K73 VanDerWaalsContact O-N 3.1Å
72T81.1Confident76.5Confident132 Ų132160.2 Ų160.281%0.8175%0.749SS**  trans-64110.2170.5-51.80000107.7T74T72-T74 PolarHBondContact O-N 2.85Å
73K78.3Confident74.4Confident192 Ų192163.5 Ų163.584%0.83576%0.76SS**  trans-75.6108.8167.1-58.6-175.290.6-179.60105.4K71 L75K71-K73 PolarHBondContact O-N 3.29Å; K71-K73 VanDerWaalsContact O-N 3.1Å; K73-L75 VanDerWaalsContact C-N 3.26Å; K73-L75 PolarHBondContact O-N 3.29Å
74T70.3Confident72.2Confident116 Ų116161.1 Ų161.171%0.71276%0.762SS**  trans-6791.1171.446.70000108.2T72 L76T72-T74 PolarHBondContact O-N 2.85Å; T74-L76 PolarHBondContact O-N 3.25Å
75L65.2Low69.9Low164 Ų164159.4 Ų159.486%0.85978%0.782SS**  trans-81.556173.2-147.7-177.1000108.8K73K73-L75 VanDerWaalsContact C-N 3.26Å; K73-L75 PolarHBondContact O-N 3.29Å
76L61.7Low67.4Low146 Ų146156.1 Ų156.176%0.76479%0.79SS**  trans-108.3101.7-177.2-60.3175.5000109.8T74T74-L76 PolarHBondContact O-N 3.25Å
77K54.8Low65.3Low173 Ų173155.8 Ų155.875%0.75280%0.799SS**  trans59.188.7152.9-82.6157.5172.4162.50117.9
78K53.4Low63.1Low182 Ų182154.9 Ų154.979%0.79181%0.808SS**  trans-110.357.9141.2-165.7173.3178174.60109.5
79D53.7Low60.5Low139 Ų139157 Ų15774%0.74383%0.825SS**  trans-122.537.7170.3-62.5-46.2000110.9
80K53.2Low57.7Low159 Ų159149.5 Ų149.569%0.69182%0.816SS**SBendtrans-132.6122.7159.7-64.7-166-69.8-142.70104.3
81Y46.7Very low55.9Low233 Ų233144.6 Ų144.691%0.91482%0.815SS**SBendtrans95.719.9-173.8-43.6-65.3000119.4
82S51.1Low53.6Low106 Ų106142.2 Ų142.274%0.74182%0.821SS**SBendtrans-11049158.7-740000111.8
83L52.1Low51.5Low172 Ų172139.7 Ų139.790%0.90182%0.821SS**SBendtrans-171.373.8160-160.674.4000111.7
84A49.4Very low49.4Very low107 Ų107134.5 Ų134.588%0.88482%0.823SS**SBendtrans-167.287.116000000109.2
85G47.8Very low47.7Very low87 Ų87133 Ų13390%0.89783%0.83SS**  trans165.173177.200000112.1
86G40.5Very low46.1Very low79 Ų79128.4 Ų128.481%0.81482%0.822SS**  trans17952.9177.800000112.7
87L51.1Low44.9Very low168 Ų168128.2 Ų128.288%0.8883%0.827SS**  trans-79.3115.4159.1-68.5172.5000107
88L49Very low44.3Very low174 Ų174123.1 Ų123.191%0.91182%0.823SS**  trans169.8130.1137.2-87.8151.9000111.8
89S40.2Very low43.5Very low134 Ų134122.3 Ų122.394%0.93783%0.827SS**  trans87.9112.5178.9-154.60000113.9
90G35.7Very low43Very low63 Ų63120.9 Ų120.965%0.64983%0.827SS**  cis172159.27.600000106.6
91P52.1Low42.3Very low134 Ų134119.9 Ų119.987%0.8783%0.834SS**  trans-95.9110.4-164.634.6-28.3000113.1
92S37.8Very low41.7Very low126 Ų126112.1 Ų112.188%0.88183%0.825SS**  trans-158.2119.1162.6-43.80000106.2
93G36.8Very low41.1Very low79 Ų79116 Ų11681%0.81483%0.834SS**  cis109.1104.640.500000108.2
94G34.5Very low40.4Very low84 Ų84112.8 Ų112.887%0.86683%0.826SS**  trans75.6138.9170.200000114.6
95G33.9Very low39.9Very low84 Ų84112.9 Ų112.987%0.86682%0.82SS**  cis107.5112.233.600000108.9
96G33.3Very low39.2Very low67 Ų67114.9 Ų114.969%0.69182%0.821SS**  trans109.9125.1151.800000119.2
97V36.3Very low39Very low143 Ų143114.5 Ų114.587%0.86782%0.817SS**  trans64.7126.5132.3-53.50000120.5
98G41.3Very low38.4Very low66 Ų66113.7 Ų113.768%0.6882%0.818SS**  trans-75.9169.2168.800000113.2
99L36.9Very low37.6Very low165 Ų165108.9 Ų108.986%0.86481%0.811SS**  trans-165.5129.1152.6-106.1132.1000110.7
100S43.1Very low37.4Very low108 Ų108111.9 Ų111.976%0.75581%0.81SS**  trans-68.7135.7163.448.50000111.9
101V38.9Very low37.5Very low138 Ų138117.3 Ų117.384%0.83681%0.811SS**  trans-151.1120.6155.9-172.30000104.9
102G33.7Very low37.1Very low70 Ų70119.3 Ų119.372%0.72281%0.813SS**  cis98.5752600000109.8
103M39.3Very low36.8Very low187 Ų187119.4 Ų119.492%0.92180%0.8SS**  trans-140.6112.3162.6-170.365.387.900110.2
104S35.8Very low36.8Very low106 Ų106120.2 Ų120.274%0.74179%0.793SS**  trans-104145.6172.245.80000110
105S38.8Very low37.6Very low109 Ų109122.1 Ų122.176%0.76279%0.79SS**  trans-165.5102.914251.40000107
106S34.2Very low37.5Very low129 Ų129122.1 Ų122.190%0.90279%0.79SS**  83.1105.390.5-65.90000112.5
107G36.1Very low37.5Very low71 Ų71122.5 Ų122.573%0.73279%0.794SS**  trans-172.478171.400000110.4
108V37.8Very low37.6Very low151 Ų151125.1 Ų125.192%0.91580%0.797SS**  trans-7.6128.7152.9-78.90000114.7
109G33.2Very low37.2Very low73 Ų73125.9 Ų125.975%0.75380%0.804SS**  cis10996.53700000109
110Q35.7Very low37Very low196 Ų196122 Ų12292%0.91680%0.804SS**  trans-154.7109.8151.2-99.4-990.800108.6
111R37.3Very low36.9Very low177 Ų177122.9 Ų122.967%0.66881%0.81SS**  trans-87.4141178.2-116.6176.2157-89.8-3.4108.1E113R111-E113 IonicContact CZ-OE1 3.92Å; R111-E113 IonicContact CZ-OE2 3.32Å; R111-E113 IonicContact NH1-OE1 2.79Å; R111-E113 PolarHBondContact NH1-OE1 2.97Å; R111-E113 IonicContact NH1-OE2 3.8Å; R111-E113 PolarHBondContact NH1-OE2 2.96Å; R111-E113 IonicContact NH2-OE1 3.35Å; R111-E113 IonicContact NH2-OE2 2.77Å; R111-E113 PolarHBondContact NH2-OE2 3.13Å
112L43.3Very low36.8Very low176 Ų176121.1 Ų121.192%0.92181%0.81SS**  trans-138.9123.4138.2-148.476.6000109.5
113E32.5Very low37.1Very low128 Ų128121.4 Ų121.460%0.59881%0.813SS**  trans-56.3124.1177.7-158.489.480.900110.8R111R111-E113 IonicContact CZ-OE1 3.92Å; R111-E113 IonicContact CZ-OE2 3.32Å; R111-E113 IonicContact NH1-OE1 2.79Å; R111-E113 PolarHBondContact NH1-OE1 2.97Å; R111-E113 IonicContact NH1-OE2 3.8Å; R111-E113 PolarHBondContact NH1-OE2 2.96Å; R111-E113 IonicContact NH2-OE1 3.35Å; R111-E113 IonicContact NH2-OE2 2.77Å; R111-E113 PolarHBondContact NH2-OE2 3.13Å
114S36.3Very low37.4Very low97 Ų97118.2 Ų118.268%0.67881%0.809SS**  68.1160.392.9-125.80000115.4
115P52.3Low37.3Very low123 Ų123116.3 Ų116.380%0.79981%0.806SS**  cis-142164.14.739.5-19.4000117.5
116G31.8Very low37.2Very low85 Ų85121.7 Ų121.788%0.87681%0.811SS**  trans119.8107138.900000118.6
117G33.2Very low37.5Very low75 Ų75120.4 Ų120.477%0.77381%0.809SS**  trans155.979.1159.500000115.9
118H37.8Very low37.8Very low198 Ų198124.9 Ų124.992%0.91781%0.81SS**  trans-55.2152.2165.2-64.159.9000110.1
119G32.5Very low38.2Very low81 Ų81126 Ų12684%0.83581%0.808SS**  cis170.1159.411.900000106.6
120G34.2Very low39Very low83 Ų83128.8 Ų128.886%0.85681%0.805SS**  trans164.473178.100000114.4
121S39.7Very low38.8Very low128 Ų128122.7 Ų122.790%0.89580%0.796SS**  trans-63.6129.5165.7174.90000111.1
122A38.2Very low38.7Very low100 Ų100125.4 Ų125.483%0.82681%0.806SS**  trans-178.5127.813600000111.8
123G38.4Very low38.4Very low77 Ų77121.6 Ų121.679%0.79480%0.8SS**  trans103.671.3148.900000116.6G125G123-G125 VanDerWaalsContact C-N 3.33Å; G123-G125 PolarHBondContact O-N 3.2Å
124S45.6Very low38.9Very low120 Ų120122.5 Ų122.584%0.83981%0.809SS**  trans-63.197.1155-160.50000108.5
125G33.9Very low38.9Very low66 Ų66121.2 Ų121.268%0.6881%0.811SS**  trans-108.7108.7178.900000110.2G123 A127G123-G125 VanDerWaalsContact C-N 3.33Å; G123-G125 PolarHBondContact O-N 3.2Å; G125-A127 PolarHBondContact O-N 3.09Å
126Y37.5Very low38.2Very low221 Ų221120.2 Ų120.287%0.86781%0.813SS**  trans-42.2114.9172.6-55.3-92.8000112.1H128Y126-H128 PolarHBondContact O-N 3.44Å; Y126-H128 VanDerWaalsContact O-N 3.13Å
127A41Very low38.7Very low103 Ų103126.3 Ų126.385%0.85181%0.811SS**  trans-67.3107169.800000109.3G125 M129G125-A127 PolarHBondContact O-N 3.09Å; A127-M129 PolarHBondContact O-N 3.09Å; A127-M129 VanDerWaalsContact O-N 3.16Å
128H42.6Very low39.5Very low164 Ų164128.6 Ų128.676%0.75982%0.815SS**  trans-72.3101.7171.8179.3-93.2000109.5Y126 N130Y126-H128 PolarHBondContact O-N 3.44Å; Y126-H128 VanDerWaalsContact O-N 3.13Å; H128-N130 PolarHBondContact O-N 3.49Å
129M46.2Very low40Very low175 Ų175121 Ų12186%0.86279%0.791SS**SBendtrans-66.3100.5169.2-159.2101.181.500108.6A127A127-M129 PolarHBondContact O-N 3.09Å; A127-M129 VanDerWaalsContact O-N 3.16Å
130N48.5Very low40.7Very low131 Ų131125.4 Ų125.470%0.70179%0.789SS**  trans174.266.7151.6-88.1-3.3000109.2H128H128-N130 PolarHBondContact O-N 3.49Å
131G31.2Very low41.5Very low69 Ų69127.8 Ų127.871%0.71179%0.787SS**  trans-109.9121.7171.400000109.6A133G131-A133 VanDerWaalsContact C-N 3.27Å; G131-A133 PolarHBondContact O-N 3.24Å
132W36.3Very low42.1Very low233 Ų233125.2 Ų125.288%0.88377%0.773SS**  trans-78.586.1178.54.9-50.2000105.4N134W132-N134 PolarHBondContact O-N 2.87Å
133A36.8Very low42.8Very low97 Ų97123.4 Ų123.480%0.80276%0.759SS**  trans-66.2100.2175.400000108.6G131G131-A133 VanDerWaalsContact C-N 3.27Å; G131-A133 PolarHBondContact O-N 3.24Å
134N43.5Very low43.6Very low146 Ų146122.8 Ų122.878%0.78175%0.746SS**  trans-74.6127157.8-75.9-87.7000106.6W132 A136W132-N134 PolarHBondContact O-N 2.87Å; N134-A136 PolarHBondContact O-N 3.38Å
135G35.4Very low44Very low70 Ų70120.1 Ų120.172%0.72273%0.731SS**  trans-48.1121.2-171.700000113.3Y137G135-Y137 PolarHBondContact O-N 3.16Å; G135-Y137 VanDerWaalsContact O-N 3.07Å
136A39.1Very low45.1Very low102 Ų102120 Ų12084%0.84372%0.724SS**  trans-6610116100000107.5N134N134-A136 PolarHBondContact O-N 3.38Å
137Y41.2Very low45.9Very low214 Ų214112.5 Ų112.584%0.83971%0.708SS**  trans-61.5137166.2-103.8-100.8000109.2G135 G139G135-Y137 PolarHBondContact O-N 3.16Å; G135-Y137 VanDerWaalsContact O-N 3.07Å; Y137-G139 PolarHBondContact O-N 2.95Å
138S49.5Very low46.7Very low122 Ų122110.5 Ų110.585%0.85369%0.691SS**SBendtrans-51.3100169.950.80000111.4
139G49.4Very low47.3Very low39 Ų39105.7 Ų105.740%0.40268%0.679SS.*  trans-160.52.6176.900000115.2Y137 V141 A143Y137-G139 PolarHBondContact O-N 2.95Å; G139-V141 VanDerWaalsContact C-N 3.33Å; G139-V141 PolarHBondContact O-N 3.48Å; G139-A143 PolarHBondContact O-N 2.9Å
140Q47.3Very low47.9Very low173 Ų173103.7 Ų103.781%0.80867%0.67SS**Hα-helixtrans-73.6-20.3-173.2-69.4-162.5-3700114.2
141V50.7Low48.5Very low133 Ų133103.9 Ų103.981%0.80667%0.668SS**Hα-helixtrans-83.2-33.1177.9-172.60000111.8G139G139-V141 VanDerWaalsContact C-N 3.33Å; G139-V141 PolarHBondContact O-N 3.48Å
142A51.3Low49.5Very low74 Ų74107.4 Ų107.461%0.61267%0.666SS**Hα-helixtrans-76.7-35177.900000112.9A145 A146A142-A145 PolarHBondContact O-N 2.9Å; A142-A146 PolarHBondContact O-N 3.5Å
143A52.6Low50.1Low63 Ų63102.2 Ų102.252%0.52165%0.651SS.*Hα-helixtrans-69.5-33.6178.700000112.9G139 A147G139-A143 PolarHBondContact O-N 2.9Å; A143-A147 WeakPolarHBondContact O-CB 3.44Å; A143-A147 PolarHBondContact O-N 3.37Å; A143-A147 VanDerWaalsContact O-N 3.09Å
144A55.4Low50.8Low64 Ų64100.7 Ų100.753%0.52964%0.639SS.*Hα-helixtrans-68-37.4175.700000112.2A147 A148A144-A147 PolarHBondContact O-N 3.34Å; A144-A148 PolarHBondContact O-N 3.19Å; A144-A148 VanDerWaalsContact O-N 3.09Å
145A55.5Low51.2Low64 Ų64100.8 Ų100.853%0.52964%0.635SS.*Hα-helixtrans-68.3-38176.500000112.5A142 A148 A149A142-A145 PolarHBondContact O-N 2.9Å; A145-A148 PolarHBondContact O-N 3.39Å; A145-A149 PolarHBondContact O-N 3.08Å
146A55.7Low51.9Low64 Ų64103.9 Ų103.953%0.52963%0.634SS.*Hα-helixtrans-69.3-36.8175.900000112.8A142 A149 M150A142-A146 PolarHBondContact O-N 3.5Å; A146-A149 PolarHBondContact O-N 3.45Å; A146-M150 PolarHBondContact O-N 3.4Å
147A55.2Low52.2Low63 Ų63103.2 Ų103.252%0.52163%0.629SS.*Hα-helixtrans-67.9-34.7174.900000112.5A143 A144 M151A143-A147 WeakPolarHBondContact O-CB 3.44Å; A143-A147 PolarHBondContact O-N 3.37Å; A143-A147 VanDerWaalsContact O-N 3.09Å; A144-A147 PolarHBondContact O-N 3.34Å; A147-M151 PolarHBondContact O-N 2.92Å
148A56.5Low52.3Low60 Ų60103.4 Ų103.450%0.49663%0.629SS.*Hα-helixtrans-67.5-38175.100000112.5A144 A145 M151 Q152A144-A148 PolarHBondContact O-N 3.19Å; A144-A148 VanDerWaalsContact O-N 3.09Å; A145-A148 PolarHBondContact O-N 3.39Å; A148-M151 PolarHBondContact O-N 3.3Å; A148-Q152 PolarHBondContact O-N 3.35Å
149A56.1Low52.4Low63 Ų63101.7 Ų101.752%0.52162%0.617SS.*Hα-helixtrans-66.2-41.4178.200000112.9A145 A146 M151 Q152 E153A145-A149 PolarHBondContact O-N 3.08Å; A146-A149 PolarHBondContact O-N 3.45Å; A149-M151 VanDerWaalsContact C-N 3.33Å; A149-M151 PolarHBondContact O-N 3.47Å; A149-Q152 PolarHBondContact O-N 3.44Å; A149-E153 PolarHBondContact O-N 3.34Å
150M58.9Low51.9Low134 Ų134107.8 Ų107.866%0.6664%0.635SS**Hα-helixtrans-69.4-26.5176.8-100.2-174.6148.900113.7A146 E153A146-M150 PolarHBondContact O-N 3.4Å; M150-E153 WeakPolarHBondContact O-CG 3.46Å
151M60.1Low51.5Low135 Ų135108.3 Ų108.367%0.66564%0.637SS**Hα-helixtrans-78.1-25.2177.5-165.4169.8155.100112A147 A148 A149A147-M151 PolarHBondContact O-N 2.92Å; A148-M151 PolarHBondContact O-N 3.3Å; A149-M151 VanDerWaalsContact C-N 3.33Å; A149-M151 PolarHBondContact O-N 3.47Å
152Q52.4Low51.2Low142 Ų142107.6 Ų107.666%0.66464%0.636SS**Hα-helixtrans-78.3-32.9179.1-165.3136.319.600112.8A148 A149 L156A148-Q152 PolarHBondContact O-N 3.35Å; A149-Q152 PolarHBondContact O-N 3.44Å; Q152-L156 WeakPolarHBondContact O-CD1 3.33Å
153E48.8Very low50.4Low124 Ų124107.7 Ų107.758%0.57964%0.644SS**Hα-helixtrans-71-32.2174.179.9-169.8-165.200112.4A149 M150 Q155 L156A149-E153 PolarHBondContact O-N 3.34Å; M150-E153 WeakPolarHBondContact O-CG 3.46Å; E153-Q155 VanDerWaalsContact C-N 3.35Å; E153-Q155 PolarHBondContact O-N 3.3Å; E153-L156 PolarHBondContact O-N 3.15Å
154A52.8Low49.7Very low65 Ų65111 Ų11154%0.53766%0.663SS.*Hα-helixtrans-71.3-26179.600000113.5
155Q50.7Low48.7Very low148 Ų148111.6 Ų111.669%0.69268%0.675SS**Hα-helixtrans-80.9-21.3176-71.6-153.3-51.400113.7E153E153-Q155 VanDerWaalsContact C-N 3.35Å; E153-Q155 PolarHBondContact O-N 3.3Å
156L50.2Low47.8Very low136 Ų136112 Ų11271%0.71268%0.679SS**Hα-helixtrans-84.8-14.4179-68.5158.1000112.9Q152 E153Q152-L156 WeakPolarHBondContact O-CD1 3.33Å; E153-L156 PolarHBondContact O-N 3.15Å
157A45.8Very low47Very low88 Ų88117.1 Ų117.173%0.72769%0.691SS**THydrogen-bonded Turntrans-86.7-1.3179.500000114.4
158Y44.1Very low46.3Very low217 Ų217121.7 Ų121.785%0.85170%0.702SS**THydrogen-bonded Turntrans-104.815.9-174.7-142.1-98.1000114.8
159S50.8Low45.4Very low86 Ų86127.8 Ų127.860%0.60172%0.719SS**  trans-121.947.5-169-45.70000113.7
160Q38.3Very low44.5Very low168 Ų168132.4 Ų132.479%0.78573%0.73SS**  trans-162107.8157.5-70.1-53.424.700112.3
161H39.1Very low43.4Very low183 Ų183133.7 Ų133.785%0.84773%0.734SS**  158.3143.8124-85.5-71.7000113.5
162P45.3Very low42.1Very low119 Ų119131 Ų13177%0.77373%0.728SS**  trans-103151.5-169.738.6-31.4000115.3
163G34.8Very low41.4Very low76 Ų76131.7 Ų131.778%0.78473%0.731SS**  trans66.9109.8132.300000122.8
164S37.3Very low41.3Very low132 Ų132134.1 Ų134.192%0.92374%0.743SS**  trans158.3135.7136.8590000107.8
165G33.5Very low40.8Very low76 Ų76139.7 Ų139.778%0.78476%0.757SS**  cis162.2153.418.500000106.5
166A37.9Very low40.2Very low74 Ų74140.4 Ų140.461%0.61276%0.76SS**  trans-54.1164.6-171.200000116.2
167H39Very low39.6Very low170 Ų170138.6 Ų138.679%0.78776%0.759SS**  -170.1138.760.3-72.1-90.4000114.8
168H39.8Very low39.5Very low160 Ų160143 Ų14374%0.74176%0.764SS**  trans29132.7135.3-61.376.6000124.9
169H37Very low39.5Very low187 Ų187139 Ų13987%0.86676%0.757SS**  175.4106.1123-96.570.1000109.5
170H37.9Very low39.5Very low160 Ų160140.2 Ų140.274%0.74176%0.763SS**  83.5120.682.9-138.8-99.8000117.5
171H34.9Very low39.5Very low161 Ų161139.8 Ų139.875%0.74576%0.761SS**  trans71146.6155-95.940.9000120.3
172S32.9Very low40.1Very low78 Ų78136.1 Ų136.155%0.54575%0.754SS.*  cis-170.4166.1-5.1-165.50000110.5
173H38.7Very low39.9Very low157 Ų157139.2 Ų139.273%0.72776%0.76SS**  trans86100.4156.7-74.2-66000123.2
174H46.2Very low40.3Very low176 Ų176144 Ų14482%0.81576%0.761SS**  trans-50133.4143.7-127.663.2000112.5
175H43.6Very low40.3Very low181 Ų181149 Ų14984%0.83876%0.76SS**  trans-151.5143.6148.4-87.4-69.3000112.8
176H38.1Very low40.5Very low164 Ų164156.6 Ų156.676%0.75977%0.767SS**  trans-92.3149.3-166.3-158.780.8000112.1
177S37.3Very low40.4Very low97 Ų97158.6 Ų158.668%0.67877%0.767SS**  trans-24.9125168.3165.40000117.1
178H43.7Very low40.3Very low180 Ų180158 Ų15883%0.83377%0.767SS**  trans-146.2120.1152.5-82.482.3000112.2
179N44.5Very low40.5Very low135 Ų135156.1 Ų156.172%0.72277%0.767SS**  trans-82.3139.1164.7170.960.8000109.8
180P48.8Very low40.6Very low111 Ų111150.5 Ų150.572%0.72175%0.753SS**  trans-132.7118.8144.431.8-15.8000113.2
181Q39.4Very low40.7Very low158 Ų158150.3 Ų150.374%0.73876%0.756SS**  trans46.7138.3141.5-56.2-57.5-32.100122.1
182P51.9Low40.9Very low107 Ų107151.2 Ų151.270%0.69576%0.76SS**PPolyproline II helixtrans-81.1139-176.933.1-33.2000113.2
183M41Very low40.8Very low183 Ų183157.9 Ų157.990%0.90178%0.775SS**PPolyproline II helixtrans-57.8144.1170.3-92.7-81.6-88.800112.2
184H43.4Very low40.7Very low176 Ų176155 Ų15582%0.81577%0.772SS**PPolyproline II helixtrans-60.9146.8-166.1-79.5-105.5000115.8
185R36.1Very low40.4Very low239 Ų239152.7 Ų152.790%0.90277%0.774SS**  trans-26.5130.3157-75178.2167.6124.8-4.5113.9
186Y38.2Very low40.3Very low235 Ų235151.9 Ų151.992%0.92277%0.773SS**  trans-81.9121.8143.9-101-89.4000108.8
187D35.5Very low40.2Very low115 Ų115149 Ų14962%0.61577%0.772SS**  trans-78127.7165.5-169.8-24.9000108T189D187-T189 WeakPolarHBondContact OD1-CB 3.44Å; D187-T189 VanDerWaalsContact OD1-CG2 3.22Å; D187-T189 WeakPolarHBondContact OD1-CG2 3.18Å; D187-T189 PolarHBondContact OD1-N 3Å; D187-T189 VanDerWaalsContact OD1-N 3.09Å; D187-T189 PolarHBondContact OD1-OG1 3.39Å
188M37.8Very low40Very low158 Ų158151.4 Ų151.478%0.77878%0.777SS**  trans-131.574169.1-113.3-61.9-44.200106.9A190M188-A190 HydrophobicContact CE-CB 4.22Å; M188-A190 PolarHBondContact O-N 3.27Å
189T44Very low40Very low121 Ų121147.2 Ų147.274%0.74277%0.768SS**  trans-80.489.3169.928.60000109.4D187D187-T189 WeakPolarHBondContact OD1-CB 3.44Å; D187-T189 VanDerWaalsContact OD1-CG2 3.22Å; D187-T189 WeakPolarHBondContact OD1-CG2 3.18Å; D187-T189 PolarHBondContact OD1-N 3Å; D187-T189 VanDerWaalsContact OD1-N 3.09Å; D187-T189 PolarHBondContact OD1-OG1 3.39Å
190A38.6Very low39.6Very low69 Ų69149.3 Ų149.357%0.5777%0.774SS**  trans-159.6133.7156.400000110.9M188M188-A190 HydrophobicContact CE-CB 4.22Å; M188-A190 PolarHBondContact O-N 3.27Å
191L40.8Very low38.9Very low155 Ų155148.1 Ų148.181%0.81277%0.768SS**  trans90.871171.9-48.9-178000116.6Y193L191-Y193 PolarHBondContact O-N 2.94Å
192Q38.8Very low38.6Very low180 Ų180150.1 Ų150.184%0.84177%0.77SS**  trans-44.5114.2142.8-179.5174.30.800111.6
193Y31.8Very low38.1Very low219 Ų219152.8 Ų152.886%0.85978%0.775SS**  trans-135.4125.1156.9-99.3-86.1000109.7L191L191-Y193 PolarHBondContact O-N 2.94Å
194S35.5Very low37.8Very low95 Ų95151.3 Ų151.366%0.66477%0.771SS**PPolyproline II helixtrans-71.3152.4-179.4-59.10000112.6I196S194-I196 PolarHBondContact O-N 3.45Å
195P40.6Very low37.3Very low129 Ų129147.4 Ų147.484%0.83877%0.769SS**PPolyproline II helixtrans-81.911717531.9-29.3000110.1
196I39.9Very low37.3Very low163 Ų163141.6 Ų141.684%0.83677%0.765SS**PPolyproline II helixtrans-84.2117.9165.4-77.5173.2000108.8S194S194-I196 PolarHBondContact O-N 3.45Å
197S36.3Very low37.8Very low104 Ų104136.1 Ų136.173%0.72776%0.758SS**PPolyproline II helixtrans-60128.2161.2-172.80000109.8
198N34.4Very low37.8Very low148 Ų148136.1 Ų136.179%0.79177%0.767SS**  trans-146110150.9-1407.4000110.8
199S42.4Very low37.5Very low92 Ų92134 Ų13464%0.64377%0.768SS**  trans-80.5127.4166.549.30000109.9
200Q37.1Very low37Very low179 Ų179139.2 Ų139.284%0.83678%0.776SS**  trans-144.9138.9151.7-82.6-67.9-700109.1
201S33.9Very low36.7Very low85 Ų85139.5 Ų139.559%0.59479%0.785SS**  trans-103.5173.7-159.8-69.30000112.7
202Y33.2Very low36.3Very low200 Ų200135.7 Ų135.778%0.78478%0.783SS**  trans114128.6142.5-67.6-76.3000120
203M40.8Very low36Very low163 Ų163134.9 Ų134.980%0.80378%0.783SS**  trans75.9105.8165.1-48.3-54179.300116.5
204N34.3Very low35.8Very low153 Ų153131 Ų13182%0.81878%0.783SS**  56.3101.652.8-161.115.4000114.5
205A32.7Very low35.4Very low94 Ų94136 Ų13678%0.77779%0.788SS**  trans173.1114.8132.300000112.3
206S37.1Very low35.1Very low116 Ų116135.3 Ų135.381%0.81178%0.782SS**  trans-120.1152.3138.1-91.10000104.7
207P49.6Very low34.7Very low120 Ų120133.7 Ų133.778%0.77977%0.771SS**  -158.2173.359.439.2-16.8000117.5
208S34.1Very low34.7Very low115 Ų115137.3 Ų137.380%0.80478%0.776SS**  trans166.8116.2139.8-79.60000107.6
209S30.9Very low34.4Very low113 Ų113138.3 Ų138.379%0.7978%0.776SS**  67103.854.7-155.80000114.2
210Y34.1Very low33.8Very low231 Ų231137.4 Ų137.491%0.90678%0.781SS**  trans176.2116.2141-116.8-95.9000107.5
211G32.6Very low33.6Very low75 Ų75134.8 Ų134.877%0.77378%0.782SS**  81.5125.592.600000111
212G32Very low33.5Very low75 Ų75134.1 Ų134.177%0.77379%0.789SS**  cis116.291.120.700000110.1
213I32Very low33.5Very low163 Ų163131.6 Ų131.684%0.83679%0.794SS**  trans-159.3111.8167.9-7176.9000108.1
214T29.1Very low33.1Very low138 Ų138129.1 Ų129.185%0.84779%0.793SS**  83.5137.773.2-44.60000115.2
215Y26.4Very low33.1Very low199 Ų199127 Ų12778%0.7879%0.79SS**  trans-96.5144-165.2-169.7-86.7000112.7Q217Y215-Q217 HydrophobicContact CE1-CB 4.4Å
216T34.6Very low33.3Very low116 Ų116128.3 Ų128.371%0.71279%0.794SS**  trans-155.1104164.4-440000107.3
217Q31.7Very low33.1Very low129 Ų129127.6 Ų127.660%0.60379%0.794SS**  49.596.876.2-170.4167.2-17.900116.2Y215Y215-Q217 HydrophobicContact CE1-CB 4.4Å
218H35.2Very low32.5Very low180 Ų180126 Ų12683%0.83379%0.792SS**  trans-139.5136.3155.8-77-90.3000111.9
219Q29.8Very low32.6Very low169 Ų169129.8 Ų129.879%0.7980%0.799SS**  trans-102.5166.4-174.2-60.7174.416.700111.9
220G29.5Very low32.8Very low73 Ų73127.8 Ų127.875%0.75380%0.796SS**  trans83.1142.7159.400000114.6
221S31.5Very low32.9Very low123 Ų123122.7 Ų122.786%0.8679%0.789SS**  cis-165.2146.916.5-34.70000104.6
222G32.1Very low33.5Very low72 Ų72127.5 Ų127.574%0.74280%0.796SS**  cis89.374.45000000111.8
223V34.5Very low33.7Very low146 Ų146127.7 Ų127.789%0.88580%0.799SS**  trans-149.1119.6154.8-74.50000112.1
224S30.6Very low33.9Very low112 Ų112125.3 Ų125.378%0.78380%0.796SS**  trans-62.9166.3155.5-40.10000108.9
225S34.8Very low34.6Very low107 Ų107126.4 Ų126.475%0.74880%0.796SS**  cis171.1147.822.829.80000105.2
226S36.9Very low35.3Very low123 Ų123122.9 Ų122.986%0.8680%0.795SS**  trans174.2131.6134.556.20000112.2
227A33.2Very low35.2Very low100 Ų100126.3 Ų126.383%0.82680%0.8SS**  trans-80.1164.2176.700000113.9
228A36.3Very low35.5Very low88 Ų88124.9 Ų124.973%0.72780%0.804SS**  trans157.4110.1138.800000109.5
229M36.8Very low35.6Very low194 Ų194124.6 Ų124.696%0.95680%0.803SS**  77130.788.3-68.6-71.2-140.400115.4
230G34.7Very low36.3Very low70 Ų70122.2 Ų122.272%0.72280%0.803SS**  trans131.583.4170.100000112.8
231T37.5Very low36.8Very low125 Ų125123.2 Ų123.277%0.76780%0.798SS**  71.7103.166.4-28.20000115.2
232L43.9Very low37.2Very low175 Ų175124.1 Ų124.192%0.91680%0.798SS**  trans40.3130.8145.6-53.4175.4000121.6
233G36.2Very low37.5Very low80 Ų80125.5 Ų125.583%0.82580%0.796SS**  trans179.177.4162.400000114.3
234S37.3Very low38.2Very low112 Ų112123.7 Ų123.778%0.78379%0.788SS**  trans-67129.6165.2175.90000110.1
235L43.5Very low39.1Very low162 Ų162124.6 Ų124.685%0.84879%0.791SS**  trans-143.498.2155.1-166.462.4000110.1
236V40.3Very low39.7Very low124 Ų124125.6 Ų125.675%0.75279%0.792SS**  trans-57.1130160.8-87.50000110.8
237K34Very low39.7Very low189 Ų189126 Ų12682%0.82280%0.795SS**  trans-160.6103.3150.9-152.9140.6166.3178.80113.8
238S37.2Very low39.9Very low99 Ų99124.1 Ų124.169%0.69279%0.786SS**  trans42117.6139.655.50000121.8
239E36.3Very low39.9Very low173 Ų173126 Ų12681%0.80879%0.788SS**  trans-51154.7153.2-124.5-173132.200113.6
240P45.5Very low40.5Very low120 Ų120125.4 Ų125.478%0.77978%0.783SS**  trans-125.3126.3132.433.2-24.6000112.6
241S39.7Very low40.7Very low94 Ų94127.7 Ų127.766%0.65779%0.788SS**  trans-65.5127.7169.1177.20000111.6
242V40.7Very low40.9Very low141 Ų141132.9 Ų132.986%0.85579%0.793SS**  trans-143.4116.4154.8-170.20000108.4
243S38.6Very low41Very low101 Ų101127.2 Ų127.271%0.70678%0.777SS**PPolyproline II helixtrans-83161.1172.3-71.50000111.6
244P47.8Very low41.7Very low109 Ų109129.1 Ų129.171%0.70878%0.775SS**PPolyproline II helixtrans-94.5162-151.137.2-34.4000113.8
245P49.3Very low42.2Very low130 Ų130127.6 Ų127.684%0.84476%0.763SS**PPolyproline II helixtrans-82.5133.2162.731.9-29.5000111.3
246V49Very low42.5Very low129 Ų129126.7 Ų126.778%0.78277%0.767SS**PPolyproline II helixtrans-97.7135.6166.8-72.10000110.1
247S36.3Very low43.3Very low130 Ų130123.9 Ų123.991%0.90976%0.763SS**  trans145.6124.5158.8-70.10000106.5
248G36.4Very low45.1Very low62 Ų62119.1 Ų119.164%0.63975%0.747SS**  cis166.3161.98.100000105.5
249T37.1Very low46.7Very low128 Ų128119.4 Ų119.479%0.78574%0.74SS**  trans87.198.8172.872.50000118.8
250H48.7Very low48.3Very low180 Ų180120.1 Ų120.183%0.83374%0.735SS**  trans42.890.2144.6-50.3-72.5000119.9
251S38.3Very low49.5Very low119 Ų119120.5 Ų120.583%0.83273%0.726SS**  -154.9108129.8-27.10000108.9G253S251-G253 PolarHBondContact O-N 3.25Å
252R42.1Very low51.3Low234 Ų234121 Ų12188%0.88372%0.719SS**  trans-57.5123.4163.6-81.9-177.4165.4-157.6-2.4107
253G46.8Very low52.6Low56 Ų56118.4 Ų118.458%0.57770%0.7SS**  trans-56.3154.3169.200000110.8S251 C255S251-G253 PolarHBondContact O-N 3.25Å; G253-C255 PolarHBondContact O-N 2.86Å
254P50.3Low54.3Low120 Ų120116.7 Ų116.778%0.77969%0.688SS**  trans-64113.5-163.8-17.329.9000111
255C47.4Very low55.5Low80 Ų80118.7 Ų118.754%0.54169%0.69SS.*  trans-68.7132162.7-62.40000107.7G253 G257 D258G253-C255 PolarHBondContact O-N 2.86Å; C255-G257 VanDerWaalsContact C-N 3.29Å; C255-G257 PolarHBondContact O-N 3.46Å; C255-D258 PolarHBondContact O-N 3.06Å
256P50.6Low56.2Low143 Ų143121.3 Ų121.393%0.92968%0.684SS**THydrogen-bonded Turntrans-7290.5173.829.6-30.8000108
257G57.9Low57.2Low64 Ų64120.5 Ų120.566%0.6668%0.675SS**THydrogen-bonded Turntrans154.60.6-176.500000116C255 L259C255-G257 VanDerWaalsContact C-N 3.29Å; C255-G257 PolarHBondContact O-N 3.46Å; G257-L259 PolarHBondContact O-N 3.27Å
258D71.1Confident58.1Low90 Ų90120.2 Ų120.248%0.48167%0.67SS.*  trans-64.6129173.8-169.32.8000110.5C255 R260 E261 M262C255-D258 PolarHBondContact O-N 3.06Å; D258-R260 PolarHBondContact O-N 3.21Å; D258-R260 PolarHBondContact OD1-N 3.49Å; D258-E261 PolarHBondContact O-N 2.84Å; D258-M262 PolarHBondContact O-N 3.19Å
259L69.6Low59.2Low105 Ų105123.9 Ų123.955%0.5568%0.68SS.*Hα-helixtrans-59.4-27.5-179.9-174.363.7000111.2G257 M262 I263G257-L259 PolarHBondContact O-N 3.27Å; L259-M262 HydrophobicContact CD1-CE 3.83Å; L259-M262 HydrophobicContact CD1-SD 4.39Å; L259-M262 WeakPolarHBondContact O-CB 3.48Å; L259-M262 PolarHBondContact O-N 3.32Å; L259-I263 HydrophobicContact CD1-CD1 4.31Å; L259-I263 HydrophobicContact CD1-CG1 4.46Å; L259-I263 HydrophobicContact CD2-CD1 4.4Å; L259-I263 HydrophobicContact CG-CD1 3.8Å; L259-I263 HydrophobicContact CG-CG1 4.38Å; L259-I263 WeakPolarHBondContact O-CB 3.43Å; L259-I263 WeakPolarHBondContact O-CD1 3.49Å; L259-I263 WeakPolarHBondContact O-CG1 3.43Å; L259-I263 PolarHBondContact O-N 3.17Å
260R71Confident59.5Low187 Ų187121 Ų12171%0.70668%0.676SS**Hα-helixtrans-64.3-46.1177-161.6167.8-156.9-83.1-2.7112.8D258 M262 I263 S264D258-R260 PolarHBondContact O-N 3.21Å; D258-R260 PolarHBondContact OD1-N 3.49Å; R260-M262 VanDerWaalsContact C-N 3.32Å; R260-I263 PolarHBondContact O-N 2.87Å; R260-S264 WeakPolarHBondContact O-CB 3.41Å; R260-S264 PolarHBondContact O-N 3.05Å; R260-S264 PolarHBondContact O-OG 3.28Å; R260-S264 VanDerWaalsContact O-OG 3.08Å
261E71Confident59.4Low128 Ų128120.7 Ų120.760%0.59868%0.675SS**Hα-helixtrans-65.7-37.6174.3-73.3-86.2129.400111.4D258 I263 S264 M265D258-E261 PolarHBondContact O-N 2.84Å; E261-I263 VanDerWaalsContact C-N 3.34Å; E261-I263 PolarHBondContact O-N 3.1Å; E261-S264 PolarHBondContact O-N 3.37Å; E261-M265 PolarHBondContact O-N 3.23Å
262M77.8Confident59.8Low104 Ų104121.2 Ų121.251%0.51268%0.675SS.*Hα-helixtrans-64-41177.2-160.1-173.6-30.100111.5D258 L259 R260 Y266D258-M262 PolarHBondContact O-N 3.19Å; L259-M262 HydrophobicContact CD1-CE 3.83Å; L259-M262 HydrophobicContact CD1-SD 4.39Å; L259-M262 WeakPolarHBondContact O-CB 3.48Å; L259-M262 PolarHBondContact O-N 3.32Å; R260-M262 VanDerWaalsContact C-N 3.32Å; M262-Y266 WeakPolarHBondContact O-CD2 3.18Å
263I68.1Low60.1Low88 Ų88113.3 Ų113.345%0.45167%0.667SS.*Hα-helixtrans-72.2-40176.8-68.3165.5000110.7L259 R260 E261 M265 Y266 L267L259-I263 HydrophobicContact CD1-CD1 4.31Å; L259-I263 HydrophobicContact CD1-CG1 4.46Å; L259-I263 HydrophobicContact CD2-CD1 4.4Å; L259-I263 HydrophobicContact CG-CD1 3.8Å; L259-I263 HydrophobicContact CG-CG1 4.38Å; L259-I263 WeakPolarHBondContact O-CB 3.43Å; L259-I263 WeakPolarHBondContact O-CD1 3.49Å; L259-I263 WeakPolarHBondContact O-CG1 3.43Å; L259-I263 PolarHBondContact O-N 3.17Å; R260-I263 PolarHBondContact O-N 2.87Å; E261-I263 VanDerWaalsContact C-N 3.34Å; E261-I263 PolarHBondContact O-N 3.1Å; I263-M265 VanDerWaalsContact C-N 3.27Å; I263-M265 PolarHBondContact O-N 3.34Å; I263-Y266 PolarHBondContact O-N 3.24Å; I263-L267 HydrophobicContact CG2-CD1 3.49Å; I263-L267 VanDerWaalsContact CG2-CD1 3.49Å; I263-L267 WeakPolarHBondContact O-CD1 3.43Å; I263-L267 PolarHBondContact O-N 3.45Å
264S73.4Confident59.8Low64 Ų64116.2 Ų116.245%0.44867%0.67SS.*Hα-helixtrans-63.8-24179.4-71.90000114.5R260 E261 Y266R260-S264 WeakPolarHBondContact O-CB 3.41Å; R260-S264 PolarHBondContact O-N 3.05Å; R260-S264 PolarHBondContact O-OG 3.28Å; R260-S264 VanDerWaalsContact O-OG 3.08Å; E261-S264 PolarHBondContact O-N 3.37Å; S264-Y266 VanDerWaalsContact C-N 3.28Å; S264-Y266 PolarHBondContact O-N 3.48Å
265M72.8Confident59.8Low151 Ų151116.3 Ų116.374%0.74467%0.67SS**THydrogen-bonded Turntrans-70.3-21.3170.8-75.3-146.7-39.700114.1E261 I263E261-M265 PolarHBondContact O-N 3.23Å; I263-M265 VanDerWaalsContact C-N 3.27Å; I263-M265 PolarHBondContact O-N 3.34Å
266Y64.3Low59.9Low186 Ų186116.2 Ų116.273%0.72967%0.67SS**THydrogen-bonded Turntrans-105.6-5.4-176.5-67.8-80.2000113.6M262 I263 S264M262-Y266 WeakPolarHBondContact O-CD2 3.18Å; I263-Y266 PolarHBondContact O-N 3.24Å; S264-Y266 VanDerWaalsContact C-N 3.28Å; S264-Y266 PolarHBondContact O-N 3.48Å
267L69.9Low59.7Low111 Ų111116.3 Ų116.358%0.58166%0.66SS**SBendtrans-102.1128.4166.2-77.589.9000109.3I263 T269I263-L267 HydrophobicContact CG2-CD1 3.49Å; I263-L267 VanDerWaalsContact CG2-CD1 3.49Å; I263-L267 WeakPolarHBondContact O-CD1 3.43Å; I263-L267 PolarHBondContact O-N 3.45Å; L267-T269 PolarHBondContact O-N 3.33Å
268P55.8Low59.2Low124 Ų124121.1 Ų121.181%0.80567%0.665SS**  trans-61.7129.1172.124.7-29.5000108.8G270P268-G270 VanDerWaalsContact C-N 3.32Å; P268-G270 PolarHBondContact O-N 3.07Å
269T59.4Low58Low139 Ų139121.7 Ų121.785%0.85368%0.676SS**  trans-60.594172.346.60000108.8L267 E271L267-T269 PolarHBondContact O-N 3.33Å; T269-E271 PolarHBondContact O-N 3.08Å
270G42.7Very low56.9Low69 Ų69127.6 Ų127.671%0.71169%0.691SS**  trans-82.6104175.700000109.9P268P268-G270 VanDerWaalsContact C-N 3.32Å; P268-G270 PolarHBondContact O-N 3.07Å
271E46.2Very low55.6Low173 Ų173125.7 Ų125.781%0.80870%0.695SS**  trans-49.7133.5157.2-73.7-72.7130.300109.4T269 G273T269-E271 PolarHBondContact O-N 3.08Å; E271-G273 PolarHBondContact O-N 2.94Å
272P48.3Very low54.4Low129 Ų129127.6 Ų127.684%0.83870%0.703SS**THydrogen-bonded Turntrans-77.790.8-179.531.3-31.6000109.3
273G47.8Very low53.1Low69 Ų69127.2 Ų127.271%0.71172%0.716SS**THydrogen-bonded Turntrans-176.2-5176.200000120.2E271 P275E271-G273 PolarHBondContact O-N 2.94Å; G273-P275 WeakPolarHBondContact O-CD 3.22Å
274D41.2Very low52.1Low117 Ų117129.7 Ų129.763%0.62673%0.73SS**  trans-106113.6-174.1-157.7-25.3000113.4S276D274-S276 PolarHBondContact O-N 3.45Å; D274-S276 VanDerWaalsContact O-N 3.14Å; D274-S276 WeakPolarHBondContact OD1-CB 3.42Å; D274-S276 PolarHBondContact OD1-N 3.38Å; D274-S276 VanDerWaalsContact OD1-N 3.1Å
275P50.1Low50.6Low121 Ų121132.2 Ų132.279%0.78674%0.744SS**G310 helixtrans-70.11.4177.328.4-33.8000114.6G273 M277G273-P275 WeakPolarHBondContact O-CD 3.22Å; P275-M277 VanDerWaalsContact C-N 3.33Å; P275-M277 PolarHBondContact O-N 3.47Å
276S48.7Very low49.2Very low78 Ų78132 Ų13255%0.54574%0.742SS.*G310 helixtrans-72.8-12.7-179.2153.70000115.6D274D274-S276 PolarHBondContact O-N 3.45Å; D274-S276 VanDerWaalsContact O-N 3.14Å; D274-S276 WeakPolarHBondContact OD1-CB 3.42Å; D274-S276 PolarHBondContact OD1-N 3.38Å; D274-S276 VanDerWaalsContact OD1-N 3.1Å
277M46.9Very low48.3Very low145 Ų145131.5 Ų131.571%0.71475%0.746SS**G310 helixtrans-80-18.7-171-71.4-69.7172.200115.1P275 S279P275-M277 VanDerWaalsContact C-N 3.33Å; P275-M277 PolarHBondContact O-N 3.47Å; M277-S279 VanDerWaalsContact C-N 3.29Å; M277-S279 PolarHBondContact O-N 3.39Å
278Q47Very low46.7Very low165 Ų165137.6 Ų137.677%0.77176%0.762SS**G310 helixtrans-73.3-18.4-178.4-78.1-176.1-15.100114H282Q278-H282 PolarHBondContact O-ND1 3.46Å
279S46Very low46Very low102 Ų102139.8 Ų139.871%0.71376%0.762SS**G310 helixtrans-84.1-11.3-175.4-155.40000114.1M277M277-S279 VanDerWaalsContact C-N 3.29Å; M277-S279 PolarHBondContact O-N 3.39Å
280R47.2Very low44.8Very low229 Ų229138.5 Ų138.586%0.86476%0.759SS**SBendtrans-96.3-11.3-179.7-80.4-171.5160.2-136-3.4114.9
281L42.8Very low44.5Very low148 Ų148139.9 Ų139.978%0.77576%0.763SS**SBendtrans-83.4-7.9174.8-86.1162.4000113.8
282H45.8Very low44.2Very low168 Ų168136.5 Ų136.578%0.77877%0.765SS**SBendtrans-102.37-174-77.6109.9000116.1Q278Q278-H282 PolarHBondContact O-ND1 3.46Å
283A50.5Low43.8Very low95 Ų95135.2 Ų135.279%0.78577%0.765SS**  trans-103.260.9175.700000111.8
284L48Very low43.4Very low141 Ų141135.2 Ų135.274%0.73877%0.766SS**SBendtrans-106.9127.8166.1-111.1149.2000107.9Q286L284-Q286 PolarHBondContact O-N 3.48Å
285P41.6Very low43.5Very low116 Ų116135.9 Ų135.975%0.75377%0.774SS**  trans-59.5124.8-178.7-23.433.2000112.1H287P285-H287 PolarHBondContact O-N 3.31Å
286Q42.1Very low43.3Very low148 Ų148138 Ų13869%0.69278%0.778SS**  trans-6979.3176.8-70.3-75-31.400111.4L284L284-Q286 PolarHBondContact O-N 3.48Å
287H46Very low42.8Very low175 Ų175137.4 Ų137.481%0.8178%0.784SS**  trans-142.374.3166.4-87.6-81.9000110.6P285P285-H287 PolarHBondContact O-N 3.31Å
288Y36.6Very low43.1Very low238 Ų238137.3 Ų137.393%0.93379%0.792SS**  trans-178.476.4137.7-115.9-88.1000107
289Q41.2Very low43.8Very low170 Ų170135.9 Ų135.979%0.79480%0.795SS**  trans-106.3102.8169-167165.474.300106.9
290S34.2Very low44.2Very low113 Ų113135.8 Ų135.879%0.7979%0.791SS**  trans-146.4100.8161.9-920000110
291A36.3Very low44.4Very low97 Ų97132.1 Ų132.180%0.80279%0.788SS**  trans43.3120.4139.500000120.3
292A40.3Very low45.2Very low103 Ų103131 Ų13185%0.85179%0.787SS**  trans-56.8139.4160.500000113
293A39.7Very low45.5Very low101 Ų101130.7 Ų130.784%0.83579%0.786SS**  trans175.5126.6130.300000111.5
294G39.2Very low45.2Very low70 Ų70137.8 Ų137.872%0.72281%0.809SS**  trans69.8116.913400000121.3
295V44.5Very low45.1Very low131 Ų131137.7 Ų137.779%0.79481%0.812SS**  66.3121.1128.7179.30000119.3
296N44.5Very low45.3Very low164 Ų164138.8 Ų138.888%0.87782%0.815SS**  trans50.2122.7156.6-80.3-63.3000118.7
297G38.5Very low45.4Very low66 Ų66138.3 Ų138.368%0.6882%0.822SS**  trans166.4100.5158.400000114.2V299G297-V299 PolarHBondContact O-N 2.8Å
298T53.9Low45.4Very low144 Ų144136.1 Ų136.188%0.88382%0.823SS**  trans-40.5132.3149.4-60.80000110.3
299V60.5Low46Very low135 Ų135129.8 Ų129.882%0.81882%0.816SS**  trans-138147.8164-96.60000110.8G297G297-V299 PolarHBondContact O-N 2.8Å
300P55.5Low46.3Very low99 Ų99127.1 Ų127.164%0.64382%0.817SS**  trans-112.3168.5-134.437.4-26.5000114.1T302P300-T302 PolarHBondContact O-N 3.09Å
301L51.5Low47.1Very low152 Ų152128.1 Ų128.180%0.79682%0.819SS**  trans-60.4119.9164.1-174.373.2000110.5
302T58.3Low48Very low124 Ų124130.5 Ų130.576%0.76182%0.82SS**  trans-131.5116.3161.254.60000109.5P300P300-T302 PolarHBondContact O-N 3.09Å
303H52.2Low48.6Very low162 Ų162132.8 Ų132.875%0.7582%0.818SS**  trans-67.4140.3163.8-76.333.5000110.1
304I45.3Very low49.4Very low245 Ų245135.6 Ų135.6100%1.25682%0.816SS**  -173.60122.8-91.9159.4000107.6

Retrieved 304 of 304 residues in 152.9 ms (Link to these results)

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