A0A087XK16_POEFO Loading...

Transgelin

AlphaFold DB , UniProt , Accession A0A087XK16, Species POEFO (Poecilia formosa, Amazon molly), Gene TAGLN3, Length 199 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
1M41.4Very low66.7Low227 Ų227116.4 Ų116.4100%1.11866%0.662SS**  098.30-59.7-178.6-16600107.6N3M1-N3 PolarHBondContact O-N 3.22Å
2A42.1Very low68.4Low78 Ų78118.1 Ų118.165%0.64565%0.65SS**  trans-91.292.8173.600000107.4R4A2-R4 VanDerWaalsContact C-N 3.26Å; A2-R4 PolarHBondContact O-N 3.49Å
3N43.5Very low69.9Low159 Ų159117.2 Ų117.285%0.8564%0.639SS**  trans-66.490.4168.1-78.3-52.4000107.9M1M1-N3 PolarHBondContact O-N 3.22Å
4R60.9Low71.1Confident182 Ų182114.1 Ų114.169%0.68763%0.625SS**PPolyproline II helixtrans-74.2125.8164.4-77.7-175.5178.6-154.5-5107.4A2 K120A2-R4 VanDerWaalsContact C-N 3.26Å; A2-R4 PolarHBondContact O-N 3.49Å; R4-K120 VanDerWaalsContact NH1-CE 3.27Å
5G61.8Low72Confident54 Ų54110.1 Ų110.156%0.55760%0.6SS**PPolyproline II helixtrans-60.4166.717300000111.6S7G5-S7 PolarHBondContact O-N 3.36Å
6P67.9Low73Confident93 Ų93107.8 Ų107.860%0.60458%0.584SS**PPolyproline II helixtrans-55.4137-179.9-18.429.6000110.4Y8P6-Y8 HydrophobicContact CB-CE1 4.3Å; P6-Y8 HydrophobicContact CB-CE2 3.92Å; P6-Y8 HydrophobicContact CG-CE2 4.44Å; P6-Y8 WeakPolarHBondContact O-CD2 3.46Å; P6-Y8 WeakPolarHBondContact O-CE2 3.3Å
7S72.9Confident74Confident64 Ų64109.2 Ų109.245%0.44858%0.583SS.*PPolyproline II helixtrans-77.7139.9172.2-67.70000108.7G5 R12G5-S7 PolarHBondContact O-N 3.36Å; S7-R12 WeakPolarHBondContact O-CB 3.3Å
8Y83.1Confident74.7Confident169 Ų169104.9 Ų104.966%0.66356%0.56SS**  trans-126.1158.1-178.9-60.9-80.9000111.1P6 S11P6-Y8 HydrophobicContact CB-CE1 4.3Å; P6-Y8 HydrophobicContact CB-CE2 3.92Å; P6-Y8 HydrophobicContact CG-CE2 4.44Å; P6-Y8 WeakPolarHBondContact O-CD2 3.46Å; P6-Y8 WeakPolarHBondContact O-CE2 3.3Å; Y8-S11 PolarHBondContact O-N 3.2Å
9G89.6Confident75.4Confident49 Ų49104.3 Ų104.351%0.50555%0.553SS.*THydrogen-bonded Turntrans59.2-136.8177.800000113.1S11 R12 E13G9-S11 PolarHBondContact O-N 2.87Å; G9-S11 VanDerWaalsContact O-N 3.17Å; G9-R12 WeakPolarHBondContact O-CB 3.48Å; G9-R12 PolarHBondContact O-N 3.24Å; G9-E13 PolarHBondContact O-N 3.27Å; G9-E13 VanDerWaalsContact O-N 3.14Å
10L86.5Confident76.1Confident128 Ų128106.9 Ų106.967%0.6756%0.562SS**Hα-helixtrans-53.8-37.7-177.8-179.161.9000113.2R12 E13 V14L10-R12 VanDerWaalsContact C-N 3.3Å; L10-R12 PolarHBondContact O-N 2.9Å; L10-E13 PolarHBondContact O-N 2.92Å; L10-V14 HydrophobicContact CD1-CG2 4.27Å; L10-V14 HydrophobicContact CG-CG2 4.47Å; L10-V14 VanDerWaalsContact O-CG2 3.28Å; L10-V14 WeakPolarHBondContact O-CG2 3.46Å; L10-V14 PolarHBondContact O-N 3.43Å
11S84.4Confident76.9Confident77 Ų77108.3 Ų108.354%0.53856%0.564SS.*Hα-helixtrans-64.9-34.7178.9-59.20000112.5Y8 G9 Q15Y8-S11 PolarHBondContact O-N 3.2Å; G9-S11 PolarHBondContact O-N 2.87Å; G9-S11 VanDerWaalsContact O-N 3.17Å; S11-Q15 WeakPolarHBondContact O-CB 3.44Å; S11-Q15 PolarHBondContact O-N 3.33Å; S11-Q15 VanDerWaalsContact O-N 3.14Å
12R86.2Confident79.4Confident137 Ų13799 Ų9952%0.51752%0.516SS..Hα-helixtrans-70.7-45.6175.1-175.3177.7161.4154-0.5111.3S7 G9 L10 V14 Q15 E16S7-R12 WeakPolarHBondContact O-CB 3.3Å; G9-R12 WeakPolarHBondContact O-CB 3.48Å; G9-R12 PolarHBondContact O-N 3.24Å; L10-R12 VanDerWaalsContact C-N 3.3Å; L10-R12 PolarHBondContact O-N 2.9Å; R12-V14 VanDerWaalsContact C-N 3.28Å; R12-V14 PolarHBondContact O-N 2.7Å; R12-Q15 PolarHBondContact O-N 2.95Å; R12-Q15 VanDerWaalsContact O-N 3.12Å; R12-E16 HydrophobicContact CG-CG 4.4Å; R12-E16 IonicContact CZ-OE1 2.66Å; R12-E16 IonicContact NE-OE1 3.12Å; R12-E16 PolarHBondContact NE-OE1 3.48Å; R12-E16 IonicContact NH2-OE1 3.39Å; R12-E16 PolarHBondContact NH2-OE1 3.24Å; R12-E16 VanDerWaalsContact NH2-OE1 3.12Å; R12-E16 WeakPolarHBondContact O-CG 3.39Å; R12-E16 PolarHBondContact O-N 3.05Å
13E88.4Confident81.9Confident107 Ų10798.4 Ų98.450%0.550%0.502SS..Hα-helixtrans-60.7-38.7178.5-67176.7-170.500112.1G9 L10 K17G9-E13 PolarHBondContact O-N 3.27Å; G9-E13 VanDerWaalsContact O-N 3.14Å; L10-E13 PolarHBondContact O-N 2.92Å; E13-K17 WeakPolarHBondContact O-CG 3.47Å; E13-K17 PolarHBondContact O-N 3.17Å
14V87Confident84.3Confident73 Ų7394.4 Ų94.444%0.44249%0.485SS..Hα-helixtrans-64.4-45.1174.2170.50000110.7L10 R12 K17 I18L10-V14 HydrophobicContact CD1-CG2 4.27Å; L10-V14 HydrophobicContact CG-CG2 4.47Å; L10-V14 VanDerWaalsContact O-CG2 3.28Å; L10-V14 WeakPolarHBondContact O-CG2 3.46Å; L10-V14 PolarHBondContact O-N 3.43Å; R12-V14 VanDerWaalsContact C-N 3.28Å; R12-V14 PolarHBondContact O-N 2.7Å; V14-K17 PolarHBondContact O-N 3.39Å; V14-I18 HydrophobicContact CG1-CD1 3.93Å; V14-I18 WeakPolarHBondContact O-CG1 3.15Å; V14-I18 PolarHBondContact O-N 3.07Å
15Q84.8Confident85.8Confident54 Ų5491.3 Ų91.325%0.25248%0.482SS..Hα-helixtrans-62.9-43.5177.8-170.562.935.900111.8S11 R12 K17 I18 E19 K120S11-Q15 WeakPolarHBondContact O-CB 3.44Å; S11-Q15 PolarHBondContact O-N 3.33Å; S11-Q15 VanDerWaalsContact O-N 3.14Å; R12-Q15 PolarHBondContact O-N 2.95Å; R12-Q15 VanDerWaalsContact O-N 3.12Å; Q15-K17 VanDerWaalsContact C-N 3.33Å; Q15-K17 PolarHBondContact O-N 3.2Å; Q15-I18 WeakPolarHBondContact O-CB 3.41Å; Q15-I18 PolarHBondContact O-N 3.39Å; Q15-I18 VanDerWaalsContact O-N 3.12Å; Q15-E19 WeakPolarHBondContact O-CG 3.19Å; Q15-E19 PolarHBondContact O-N 3.45Å; Q15-K120 PolarHBondContact NE2-O 3.31Å
16E88.1Confident87.3Confident74 Ų7490.4 Ų90.435%0.34647%0.465SS..Hα-helixtrans-60.8-41.7176.3-74.7175.5-179.600111.3R12 I18 E19 Q20R12-E16 HydrophobicContact CG-CG 4.4Å; R12-E16 IonicContact CZ-OE1 2.66Å; R12-E16 IonicContact NE-OE1 3.12Å; R12-E16 PolarHBondContact NE-OE1 3.48Å; R12-E16 IonicContact NH2-OE1 3.39Å; R12-E16 PolarHBondContact NH2-OE1 3.24Å; R12-E16 VanDerWaalsContact NH2-OE1 3.12Å; R12-E16 WeakPolarHBondContact O-CG 3.39Å; R12-E16 PolarHBondContact O-N 3.05Å; E16-I18 VanDerWaalsContact C-N 3.32Å; E16-I18 PolarHBondContact O-N 3.32Å; E16-E19 PolarHBondContact O-N 2.92Å; E16-Q20 VanDerWaalsContact O-CG 3.29Å; E16-Q20 WeakPolarHBondContact O-CG 3.16Å; E16-Q20 PolarHBondContact O-N 3.05Å
17K89.2Confident88.5Confident131 Ų13186.3 Ų86.357%0.5744%0.437SS*.Hα-helixtrans-65.6-33.4174.4-75.8177.3-178.4175.20113.2E13 V14 Q15 K21E13-K17 WeakPolarHBondContact O-CG 3.47Å; E13-K17 PolarHBondContact O-N 3.17Å; V14-K17 PolarHBondContact O-N 3.39Å; Q15-K17 VanDerWaalsContact C-N 3.33Å; Q15-K17 PolarHBondContact O-N 3.2Å; K17-K21 WeakPolarHBondContact O-CG 3.36Å
18I87.3Confident89.5Confident33 Ų3388 Ų8817%0.16944%0.438CS..Hα-helixtrans-68.1-44.2174.3-72.5166.3000109.8V14 Q15 E16 Q20 K21 D121V14-I18 HydrophobicContact CG1-CD1 3.93Å; V14-I18 WeakPolarHBondContact O-CG1 3.15Å; V14-I18 PolarHBondContact O-N 3.07Å; Q15-I18 WeakPolarHBondContact O-CB 3.41Å; Q15-I18 PolarHBondContact O-N 3.39Å; Q15-I18 VanDerWaalsContact O-N 3.12Å; E16-I18 VanDerWaalsContact C-N 3.32Å; E16-I18 PolarHBondContact O-N 3.32Å; I18-Q20 VanDerWaalsContact C-N 3.31Å; I18-Q20 PolarHBondContact O-N 2.99Å; I18-K21 WeakPolarHBondContact O-CB 3.46Å; I18-K21 PolarHBondContact O-N 3.05Å; I18-D121 HydrophobicContact CG2-CB 3.92Å; I18-D121 VanDerWaalsContact CG2-CG 3.42Å; I18-D121 VanDerWaalsContact CG2-OD1 3.22Å; I18-D121 WeakPolarHBondContact CG2-OD1 3.38Å
19E86.7Confident90Very high93 Ų9384.1 Ų84.144%0.43542%0.422SS..Hα-helixtrans-64.5-35.4178.5-71.6-177.7166.600112.6Q15 E16 K21 Y22 K49Q15-E19 WeakPolarHBondContact O-CG 3.19Å; Q15-E19 PolarHBondContact O-N 3.45Å; E16-E19 PolarHBondContact O-N 2.92Å; E19-K21 PolarHBondContact O-N 3.11Å; E19-Y22 WeakPolarHBondContact O-CB 3.49Å; E19-Y22 PolarHBondContact O-N 2.92Å; E19-K49 IonicContact OE1-NZ 2.95Å; E19-K49 PolarHBondContact OE1-NZ 3.04Å
20Q91Very high90.2Very high155 Ų15581.8 Ų81.872%0.72440%0.398SS*.THydrogen-bonded Turntrans-63.2-22.8172.9-74.6170.79.700113.8E16 I18 Y22E16-Q20 VanDerWaalsContact O-CG 3.29Å; E16-Q20 WeakPolarHBondContact O-CG 3.16Å; E16-Q20 PolarHBondContact O-N 3.05Å; I18-Q20 VanDerWaalsContact C-N 3.31Å; I18-Q20 PolarHBondContact O-N 2.99Å; Q20-Y22 VanDerWaalsContact C-N 3.27Å
21K92.6Very high90.6Very high138 Ų13876.2 Ų76.260%0.637%0.369SS*.THydrogen-bonded Turntrans-81.7-9.4175.7-65.8173.6-177.4-1780112.8K17 I18 E19 A123K17-K21 WeakPolarHBondContact O-CG 3.36Å; I18-K21 WeakPolarHBondContact O-CB 3.46Å; I18-K21 PolarHBondContact O-N 3.05Å; E19-K21 PolarHBondContact O-N 3.11Å; K21-A123 HydrophobicContact CB-CB 3.86Å
22Y93.5Very high91Very high31 Ų3175.2 Ų75.212%0.12236%0.358CS..  trans-76.1125.7177.8-171.7-89.7000109.6E19 Q20 E27 K49 M122 Q126E19-Y22 WeakPolarHBondContact O-CB 3.49Å; E19-Y22 PolarHBondContact O-N 2.92Å; Q20-Y22 VanDerWaalsContact C-N 3.27Å; Y22-E27 WeakPolarHBondContact OH-CB 3.28Å; Y22-E27 VanDerWaalsContact OH-CG 3.24Å; Y22-E27 WeakPolarHBondContact OH-CG 3.28Å; Y22-E27 PolarHBondContact OH-OE2 2.66Å; Y22-K49 HydrophobicContact CD2-CD 4.49Å; Y22-K49 HydrophobicContact CD2-CG 4.45Å; Y22-K49 HydrophobicContact CE1-CB 4.03Å; Y22-K49 HydrophobicContact CE2-CB 4.4Å; Y22-K49 HydrophobicContact CE2-CG 4.12Å; Y22-M122 HydrophobicContact CD2-CB 3.81Å; Y22-M122 HydrophobicContact CE2-CB 3.75Å; Y22-Q126 HydrophobicContact CD2-CG 4.44Å; Y22-Q126 VanDerWaalsContact CD2-OE1 3.24Å; Y22-Q126 HydrophobicContact CE2-CG 4.01Å
23D94.4Very high91.4Very high65 Ų6568.7 Ų68.735%0.34833%0.333SS..  trans-113.9113.8-176-177.5-19.5000110.1D25 L26 E27 Q126D23-D25 VanDerWaalsContact C-N 3.33Å; D23-D25 PolarHBondContact O-N 2.94Å; D23-D25 WeakPolarHBondContact OD1-CB 3.47Å; D23-D25 PolarHBondContact OD1-N 3.17Å; D23-L26 HydrophobicContact CB-CB 3.72Å; D23-L26 HydrophobicContact CB-CD1 4.41Å; D23-L26 PolarHBondContact O-N 3.38Å; D23-L26 PolarHBondContact OD1-N 2.82Å; D23-E27 PolarHBondContact O-N 3.21Å; D23-Q126 VanDerWaalsContact N-OE1 3.16Å; D23-Q126 PolarHBondContact O-NE2 3.34Å
24P93.4Very high91.6Very high76 Ų7663.6 Ų63.649%0.49431%0.31SS..Hα-helixtrans-63.8-31.8178.4-2233.8000114.4L26 E27 Q28P24-L26 VanDerWaalsContact C-N 3.33Å; P24-E27 WeakPolarHBondContact O-CB 3.25Å; P24-E27 PolarHBondContact O-N 2.88Å; P24-Q28 PolarHBondContact O-N 3.31Å
25D93.1Very high91.9Very high116 Ų11661.6 Ų61.662%0.6230%0.297SS*.Hα-helixtrans-72.1-35.8179.1-65-43.5000110.2D23 Q28 R29D23-D25 VanDerWaalsContact C-N 3.33Å; D23-D25 PolarHBondContact O-N 2.94Å; D23-D25 WeakPolarHBondContact OD1-CB 3.47Å; D23-D25 PolarHBondContact OD1-N 3.17Å; D25-Q28 PolarHBondContact O-N 3.5Å; D25-R29 PolarHBondContact O-N 3.43Å; D25-R29 VanDerWaalsContact O-N 3.13Å
26L92.8Very high92.2Very high36 Ų3660.9 Ų60.919%0.18830%0.301CS..Hα-helixtrans-66.8-38.1172.7-166161.8000111.3D23 P24 Q28 R29 L30 Q126 M130D23-L26 HydrophobicContact CB-CB 3.72Å; D23-L26 HydrophobicContact CB-CD1 4.41Å; D23-L26 PolarHBondContact O-N 3.38Å; D23-L26 PolarHBondContact OD1-N 2.82Å; P24-L26 VanDerWaalsContact C-N 3.33Å; L26-Q28 PolarHBondContact O-N 3.32Å; L26-R29 PolarHBondContact O-N 3.07Å; L26-L30 HydrophobicContact CD2-CD1 3.36Å; L26-L30 HydrophobicContact CD2-CG 3.77Å; L26-L30 WeakPolarHBondContact O-CB 3.43Å; L26-L30 WeakPolarHBondContact O-CG 3.45Å; L26-L30 PolarHBondContact O-N 3.16Å; L26-Q126 HydrophobicContact CD2-CB 3.62Å; L26-Q126 HydrophobicContact CD2-CG 3.77Å; L26-M130 HydrophobicContact CD1-CG 3.96Å; L26-M130 HydrophobicContact CD1-SD 4.43Å; L26-M130 HydrophobicContact CD2-CG 3.71Å; L26-M130 HydrophobicContact CD2-SD 4.09Å; L26-M130 HydrophobicContact CG-CG 3.99Å; L26-M130 HydrophobicContact CG-SD 4.03Å
27E94.3Very high92.4Very high7 Ų757.3 Ų57.33%0.03328%0.284CS..Hα-helixtrans-53.8-53.7172.1-174.1-164.879.800111.1Y22 D23 P24 R29 L30 V31 G48 K49 F52Y22-E27 WeakPolarHBondContact OH-CB 3.28Å; Y22-E27 VanDerWaalsContact OH-CG 3.24Å; Y22-E27 WeakPolarHBondContact OH-CG 3.28Å; Y22-E27 PolarHBondContact OH-OE2 2.66Å; D23-E27 PolarHBondContact O-N 3.21Å; P24-E27 WeakPolarHBondContact O-CB 3.25Å; P24-E27 PolarHBondContact O-N 2.88Å; E27-R29 VanDerWaalsContact C-N 3.32Å; E27-R29 PolarHBondContact O-N 2.89Å; E27-L30 PolarHBondContact O-N 3.13Å; E27-L30 VanDerWaalsContact O-N 3.14Å; E27-V31 WeakPolarHBondContact O-CG2 3.37Å; E27-V31 PolarHBondContact O-N 3.43Å; E27-G48 PolarHBondContact OE1-N 3.14Å; E27-G48 PolarHBondContact OE2-N 2.66Å; E27-K49 WeakPolarHBondContact OE2-CA 3.46Å; E27-K49 PolarHBondContact OE2-N 2.95Å; E27-K49 VanDerWaalsContact OE2-N 3.1Å; E27-F52 HydrophobicContact CG-CB 3.96Å; E27-F52 HydrophobicContact CG-CD1 4.29Å; E27-F52 HydrophobicContact CG-CD2 3.83Å; E27-F52 HydrophobicContact CG-CE2 4.37Å; E27-F52 HydrophobicContact CG-CG 3.77Å; E27-F52 VanDerWaalsContact OE2-CB 3.24Å; E27-F52 WeakPolarHBondContact OE2-CB 3.27Å
28Q93.4Very high92.3Very high99 Ų9952.4 Ų52.446%0.46327%0.266SS..Hα-helixtrans-59.3-45.5-178.2-67.8179.215.800111.5P24 D25 L26 L30 V31 D32P24-Q28 PolarHBondContact O-N 3.31Å; D25-Q28 PolarHBondContact O-N 3.5Å; L26-Q28 PolarHBondContact O-N 3.32Å; Q28-L30 VanDerWaalsContact C-N 3.33Å; Q28-L30 PolarHBondContact O-N 2.66Å; Q28-V31 PolarHBondContact O-N 3.37Å; Q28-D32 PolarHBondContact O-N 3.29Å
29R93.7Very high91.6Very high88 Ų8852.5 Ų52.533%0.33228%0.275SS..Hα-helixtrans-58.4-44176-174.3-173.5-61.8-1642.9112.4D25 L26 E27 D32 W33 W150D25-R29 PolarHBondContact O-N 3.43Å; D25-R29 VanDerWaalsContact O-N 3.13Å; L26-R29 PolarHBondContact O-N 3.07Å; E27-R29 VanDerWaalsContact C-N 3.32Å; E27-R29 PolarHBondContact O-N 2.89Å; R29-D32 PolarHBondContact O-N 3.21Å; R29-W33 WeakPolarHBondContact O-CB 3.37Å; R29-W33 PolarHBondContact O-N 3.28Å; R29-W150 VanDerWaalsContact CD-O 3.29Å; R29-W150 WeakPolarHBondContact CD-O 3.32Å; R29-W150 HydrophobicContact CG-CB 3.84Å; R29-W150 HydrophobicContact CG-CD2 4.44Å; R29-W150 HydrophobicContact CG-CG 3.76Å; R29-W150 PolarHBondContact NH1-O 3.01Å
30L94.4Very high90.5Very high0 Ų051.3 Ų51.30%029%0.287CS..Hα-helixtrans-66.5-40.2178-74.1179.1000111.9L26 E27 Q28 W33 I34 F52 Q126 L129 M130 F151L26-L30 HydrophobicContact CD2-CD1 3.36Å; L26-L30 HydrophobicContact CD2-CG 3.77Å; L26-L30 WeakPolarHBondContact O-CB 3.43Å; L26-L30 WeakPolarHBondContact O-CG 3.45Å; L26-L30 PolarHBondContact O-N 3.16Å; E27-L30 PolarHBondContact O-N 3.13Å; E27-L30 VanDerWaalsContact O-N 3.14Å; Q28-L30 VanDerWaalsContact C-N 3.33Å; Q28-L30 PolarHBondContact O-N 2.66Å; L30-W33 HydrophobicContact CD2-CE3 4.04Å; L30-W33 HydrophobicContact CD2-CZ3 4.42Å; L30-W33 PolarHBondContact O-N 2.81Å; L30-I34 WeakPolarHBondContact O-CB 3.29Å; L30-I34 WeakPolarHBondContact O-CD1 3.16Å; L30-I34 WeakPolarHBondContact O-CG1 3.2Å; L30-I34 PolarHBondContact O-N 2.95Å; L30-F52 HydrophobicContact CB-CZ 4.38Å; L30-F52 HydrophobicContact CD1-CZ 4.4Å; L30-Q126 HydrophobicContact CD1-CB 4.18Å; L30-Q126 HydrophobicContact CD1-CG 4.04Å; L30-L129 HydrophobicContact CD1-CB 3.87Å; L30-L129 HydrophobicContact CD1-CD1 4.03Å; L30-L129 HydrophobicContact CD2-CB 3.72Å; L30-L129 HydrophobicContact CG-CB 4.43Å; L30-M130 HydrophobicContact CD2-CG 4.16Å; L30-M130 HydrophobicContact CD2-SD 3.74Å; L30-M130 HydrophobicContact CG-SD 4.26Å; L30-F151 HydrophobicContact CD2-CE1 4.15Å; L30-F151 HydrophobicContact CD2-CZ 4.36Å
31V93.9Very high89.2Confident10 Ų1052.3 Ų52.36%0.06130%0.298CS..Hα-helixtrans-59.2-48.9174.6169.70000110.3E27 Q28 W33 I34 V35 K44 P45 F52 W55E27-V31 WeakPolarHBondContact O-CG2 3.37Å; E27-V31 PolarHBondContact O-N 3.43Å; Q28-V31 PolarHBondContact O-N 3.37Å; V31-W33 VanDerWaalsContact C-N 3.33Å; V31-W33 PolarHBondContact O-N 3.38Å; V31-I34 PolarHBondContact O-N 3.04Å; V31-V35 HydrophobicContact CG1-CG2 4.49Å; V31-V35 WeakPolarHBondContact O-CG2 3.43Å; V31-V35 PolarHBondContact O-N 3.38Å; V31-K44 HydrophobicContact CG1-CB 4.3Å; V31-K44 HydrophobicContact CG1-CD 4.45Å; V31-K44 HydrophobicContact CG1-CG 4.24Å; V31-P45 HydrophobicContact CG1-CG 4.23Å; V31-P45 HydrophobicContact CG2-CG 3.95Å; V31-F52 HydrophobicContact CG2-CD2 3.59Å; V31-F52 HydrophobicContact CG2-CE2 3.67Å; V31-W55 HydrophobicContact CB-CZ3 4.4Å; V31-W55 HydrophobicContact CG1-CH2 4.26Å; V31-W55 HydrophobicContact CG1-CZ3 4.37Å; V31-W55 HydrophobicContact CG2-CE3 4.48Å; V31-W55 HydrophobicContact CG2-CZ3 3.95Å
32D92.9Very high88.6Confident57 Ų5747.2 Ų47.231%0.30528%0.277SS..Hα-helixtrans-61.5-42.1178.9-74.5-24.1000112Q28 R29 A36 K44 W150Q28-D32 PolarHBondContact O-N 3.29Å; R29-D32 PolarHBondContact O-N 3.21Å; D32-A36 WeakPolarHBondContact O-CB 3.31Å; D32-A36 PolarHBondContact O-N 3.15Å; D32-K44 IonicContact OD1-NZ 2.9Å; D32-K44 PolarHBondContact OD1-NZ 2.93Å; D32-W150 HydrophobicContact CB-CH2 4.06Å; D32-W150 HydrophobicContact CB-CZ2 4.09Å
33W93.8Very high88Confident0 Ų053.9 Ų53.90%031%0.309CS..Hα-helixtrans-62.9-49.5174.7173.554.3000112.8R29 L30 V31 V35 A36 Q37 L65 L129 L132 Y144 W150 F151R29-W33 WeakPolarHBondContact O-CB 3.37Å; R29-W33 PolarHBondContact O-N 3.28Å; L30-W33 HydrophobicContact CD2-CE3 4.04Å; L30-W33 HydrophobicContact CD2-CZ3 4.42Å; L30-W33 PolarHBondContact O-N 2.81Å; V31-W33 VanDerWaalsContact C-N 3.33Å; V31-W33 PolarHBondContact O-N 3.38Å; W33-V35 PolarHBondContact O-N 3.15Å; W33-A36 PolarHBondContact O-N 3.24Å; W33-A36 VanDerWaalsContact O-N 3.16Å; W33-Q37 HydrophobicContact CZ2-CG 4.49Å; W33-Q37 WeakPolarHBondContact O-CB 3.44Å; W33-Q37 PolarHBondContact O-N 3.44Å; W33-L65 HydrophobicContact CH2-CD1 4.11Å; W33-L65 HydrophobicContact CH2-CD2 4.07Å; W33-L65 HydrophobicContact CH2-CG 4.38Å; W33-L65 HydrophobicContact CZ2-CD1 4.18Å; W33-L65 HydrophobicContact CZ3-CD1 4.31Å; W33-L65 HydrophobicContact CZ3-CD2 3.93Å; W33-L129 HydrophobicContact CZ3-CB 4.44Å; W33-L132 HydrophobicContact CH2-CB 4.46Å; W33-L132 HydrophobicContact CH2-CD2 4.28Å; W33-L132 HydrophobicContact CH2-CG 4.21Å; W33-Y144 AromaticContact CD1-CE2 3.82Å; W33-Y144 AromaticContact CD1-CZ 3.99Å; W33-Y144 HydrophobicContact CZ2-CE2 4.47Å; W33-Y144 AromaticContact NE1-CD2 3.92Å; W33-Y144 AromaticContact NE1-CE2 3.19Å; W33-Y144 AromaticContact NE1-CZ 3.82Å; W33-W150 HydrophobicContact CB-CE3 3.76Å; W33-W150 HydrophobicContact CB-CZ3 4Å; W33-W150 HydrophobicContact CG-CE3 4.36Å; W33-F151 HydrophobicContact CB-CE2 4Å; W33-F151 HydrophobicContact CB-CZ 3.85Å; W33-F151 AromaticContact CD1-CE2 3.57Å; W33-F151 HydrophobicContact CD2-CE1 4.36Å; W33-F151 AromaticContact CD2-CE2 3.63Å; W33-F151 HydrophobicContact CD2-CE2 3.63Å; W33-F151 AromaticContact CD2-CZ 3.27Å; W33-F151 HydrophobicContact CD2-CZ 3.27Å; W33-F151 AromaticContact CE2-CE2 3.83Å; W33-F151 AromaticContact CE2-CZ 3.82Å; W33-F151 HydrophobicContact CE3-CE1 4.22Å; W33-F151 HydrophobicContact CE3-CE2 4.29Å; W33-F151 AromaticContact CE3-CZ 3.48Å; W33-F151 HydrophobicContact CE3-CZ 3.48Å; W33-F151 VanDerWaalsContact CE3-CZ 3.48Å; W33-F151 AromaticContact CG-CE2 3.44Å; W33-F151 HydrophobicContact CG-CE2 3.44Å; W33-F151 VanDerWaalsContact CG-CE2 3.44Å; W33-F151 AromaticContact CG-CZ 3.43Å; W33-F151 HydrophobicContact CG-CZ 3.43Å; W33-F151 VanDerWaalsContact CG-CZ 3.43Å; W33-F151 HydrophobicContact CZ2-CZ 4.44Å; W33-F151 HydrophobicContact CZ3-CZ 4.12Å; W33-F151 AromaticContact NE1-CE2 3.81Å
34I93.5Very high87.5Confident0 Ų056.5 Ų56.50%032%0.318CS..Hα-helixtrans-58.5-41.2-179-70.7165.7000110.6L30 V31 Q37 C38 W55 L56 I61 L65 L129L30-I34 WeakPolarHBondContact O-CB 3.29Å; L30-I34 WeakPolarHBondContact O-CD1 3.16Å; L30-I34 WeakPolarHBondContact O-CG1 3.2Å; L30-I34 PolarHBondContact O-N 2.95Å; V31-I34 PolarHBondContact O-N 3.04Å; I34-Q37 PolarHBondContact O-N 2.6Å; I34-C38 VanDerWaalsContact O-CB 3.28Å; I34-C38 WeakPolarHBondContact O-CB 3.4Å; I34-C38 PolarHBondContact O-N 2.93Å; I34-C38 PolarHBondContact O-SG 3.08Å; I34-W55 HydrophobicContact CB-CH2 3.97Å; I34-W55 HydrophobicContact CB-CZ3 4.36Å; I34-W55 HydrophobicContact CD1-CH2 4.45Å; I34-W55 HydrophobicContact CD1-CZ3 3.99Å; I34-W55 HydrophobicContact CG2-CH2 3.6Å; I34-W55 HydrophobicContact CG2-CZ2 4.33Å; I34-W55 HydrophobicContact CG2-CZ3 4.17Å; I34-L56 HydrophobicContact CD1-CD2 4.27Å; I34-I61 HydrophobicContact CG2-CG2 3.48Å; I34-I61 VanDerWaalsContact CG2-CG2 3.48Å; I34-L65 HydrophobicContact CG1-CD1 4.18Å; I34-L65 HydrophobicContact CG1-CD2 4.05Å; I34-L129 HydrophobicContact CD1-CD1 4.26Å
35V92.4Very high87.4Confident30 Ų3054.2 Ų54.218%0.18230%0.302CS..Hα-helixtrans-64.9-47.1177.5173.10000110.9V31 W33 Q37 G39 L42 K44 W55V31-V35 HydrophobicContact CG1-CG2 4.49Å; V31-V35 WeakPolarHBondContact O-CG2 3.43Å; V31-V35 PolarHBondContact O-N 3.38Å; W33-V35 PolarHBondContact O-N 3.15Å; V35-Q37 VanDerWaalsContact C-N 3.3Å; V35-Q37 PolarHBondContact O-N 2.85Å; V35-G39 PolarHBondContact O-N 3.32Å; V35-G39 VanDerWaalsContact O-N 3.13Å; V35-L42 HydrophobicContact CG2-CB 4.41Å; V35-K44 HydrophobicContact CG2-CG 3.97Å; V35-W55 HydrophobicContact CG2-CH2 4.27Å; V35-W55 HydrophobicContact CG2-CZ2 4.37Å
36A91.6Very high87.2Confident39 Ų3955.8 Ų55.832%0.32231%0.306SS..Hα-helixtrans-63.5-36.4177.600000112.7D32 W33 W150D32-A36 WeakPolarHBondContact O-CB 3.31Å; D32-A36 PolarHBondContact O-N 3.15Å; W33-A36 PolarHBondContact O-N 3.24Å; W33-A36 VanDerWaalsContact O-N 3.16Å; A36-W150 HydrophobicContact CB-CH2 4.42Å; A36-W150 HydrophobicContact CB-CZ3 4.19Å
37Q91.7Very high87Confident0 Ų058.7 Ų58.70%033%0.327CS..Hα-helixtrans-79.5-51.4-173.7-175.358.44900112.7W33 I34 V35 G39 L65 S68 L69 Q143 K145W33-Q37 HydrophobicContact CZ2-CG 4.49Å; W33-Q37 WeakPolarHBondContact O-CB 3.44Å; W33-Q37 PolarHBondContact O-N 3.44Å; I34-Q37 PolarHBondContact O-N 2.6Å; V35-Q37 VanDerWaalsContact C-N 3.3Å; V35-Q37 PolarHBondContact O-N 2.85Å; Q37-G39 VanDerWaalsContact C-N 3.33Å; Q37-L65 HydrophobicContact CB-CD1 3.88Å; Q37-L65 HydrophobicContact CG-CD1 3.6Å; Q37-S68 VanDerWaalsContact CG-OG 3.28Å; Q37-S68 WeakPolarHBondContact CG-OG 3.15Å; Q37-S68 PolarHBondContact NE2-O 3.17Å; Q37-S68 PolarHBondContact NE2-OG 2.71Å; Q37-L69 HydrophobicContact CG-CD2 4.21Å; Q37-Q143 PolarHBondContact NE2-O 3.05Å; Q37-K145 PolarHBondContact OE1-O 3.25Å
38C87.5Confident86.8Confident28 Ų2859.7 Ų59.719%0.18934%0.34CS..Hα-helixtrans-68.6-33.7178.4-69.90000112.1I34 L42 L65I34-C38 VanDerWaalsContact O-CB 3.28Å; I34-C38 WeakPolarHBondContact O-CB 3.4Å; I34-C38 PolarHBondContact O-N 2.93Å; I34-C38 PolarHBondContact O-SG 3.08Å; C38-L42 HydrophobicContact CB-CD1 3.57Å; C38-L65 WeakPolarHBondContact SG-CA 3.3Å; C38-L65 PolarHBondContact SG-N 3.48Å; C38-L65 VanDerWaalsContact SG-N 3.43Å
39G73.9Confident86.6Confident35 Ų3557.7 Ų57.736%0.36133%0.329SS..  trans61.9174.9-170.100000113.1V35 Q37V35-G39 PolarHBondContact O-N 3.32Å; V35-G39 VanDerWaalsContact O-N 3.13Å; Q37-G39 VanDerWaalsContact C-N 3.33Å
40G63.7Low86.5Confident67 Ų6759.1 Ų59.169%0.69134%0.34SS*.SBendtrans84.4164.3-174.700000112.6L42G40-L42 PolarHBondContact O-N 3.44Å
41N62.5Low86.4Confident177 Ų17761.9 Ų61.995%0.94735%0.354SS*.  trans-67.363.3177.9-79.8-6.1000111.5E43N41-E43 PolarHBondContact O-N 3.46Å
42L79.3Confident86.4Confident31 Ų3161.4 Ų61.416%0.16235%0.352CS..  trans-73115.6165.9-72.6169.8000107.2V35 C38 G40 K44 I61V35-L42 HydrophobicContact CG2-CB 4.41Å; C38-L42 HydrophobicContact CB-CD1 3.57Å; G40-L42 PolarHBondContact O-N 3.44Å; L42-K44 PolarHBondContact O-N 3.01Å; L42-I61 HydrophobicContact CD2-CD1 4.42Å; L42-I61 HydrophobicContact CD2-CG1 4.18Å
43E81.1Confident86.5Confident171 Ų17159.2 Ų59.280%0.79934%0.34SS*.PPolyproline II helixtrans-66.4121.5169.7-66.6-174.8164.200108.4N41 W55N41-E43 PolarHBondContact O-N 3.46Å; E43-W55 PolarHBondContact O-NE1 3.38Å
44K85.8Confident86.4Confident120 Ų12062.9 Ų62.952%0.52236%0.362SS..PPolyproline II helixtrans-63.8131174.9-67.2-170.6179.4-170.50108.3V31 D32 V35 L42V31-K44 HydrophobicContact CG1-CB 4.3Å; V31-K44 HydrophobicContact CG1-CD 4.45Å; V31-K44 HydrophobicContact CG1-CG 4.24Å; D32-K44 IonicContact OD1-NZ 2.9Å; D32-K44 PolarHBondContact OD1-NZ 2.93Å; V35-K44 HydrophobicContact CG2-CG 3.97Å; L42-K44 PolarHBondContact O-N 3.01Å
45P89.4Confident86.4Confident27 Ų2764.7 Ų64.718%0.17537%0.369CS..PPolyproline II helixtrans-63.4153.317329.5-35.1000109.6V31 N51 W55V31-P45 HydrophobicContact CG1-CG 4.23Å; V31-P45 HydrophobicContact CG2-CG 3.95Å; P45-N51 HydrophobicContact CB-CB 4.39Å; P45-W55 HydrophobicContact CB-CB 4.1Å; P45-W55 HydrophobicContact CB-CD2 4.38Å; P45-W55 HydrophobicContact CB-CG 4.12Å; P45-W55 HydrophobicContact CG-CB 4.29Å; P45-W55 HydrophobicContact CG-CD2 3.74Å; P45-W55 HydrophobicContact CG-CE3 3.75Å; P45-W55 HydrophobicContact CG-CG 4.02Å; P45-W55 HydrophobicContact CG-CZ3 4.27Å
46Q88.9Confident86.5Confident150 Ų15063.3 Ų63.370%0.70136%0.36SS*.PPolyproline II helixtrans-61.4145.6165.9-67.6-176.72.900109.3N51Q46-N51 WeakPolarHBondContact O-CB 3.31Å; Q46-N51 PolarHBondContact O-ND2 2.92Å
47P89.4Confident86.5Confident96 Ų9663.4 Ų63.462%0.62336%0.355SS*.SBendtrans-53.2143.5176.8-25.934.2000111.9N51P47-N51 PolarHBondContact O-ND2 3.29Å
48G90.3Very high86.4Confident29 Ų2965.1 Ų65.130%0.29936%0.364SS..SBendtrans125.7139172.800000113.7E27 Q50 N51 F52E27-G48 PolarHBondContact OE1-N 3.14Å; E27-G48 PolarHBondContact OE2-N 2.66Å; G48-Q50 PolarHBondContact O-N 3.24Å; G48-N51 WeakPolarHBondContact O-CB 3.5Å; G48-N51 PolarHBondContact O-N 3.47Å; G48-F52 PolarHBondContact O-N 2.72Å
49K89.8Confident86.5Confident56 Ų5663.8 Ų63.824%0.24336%0.355CS..Hα-helixtrans-44.9-43.7-175.5179.5-177.2169.9-1730113.8E19 Y22 E27 Q53 M122E19-K49 IonicContact OE1-NZ 2.95Å; E19-K49 PolarHBondContact OE1-NZ 3.04Å; Y22-K49 HydrophobicContact CD2-CD 4.49Å; Y22-K49 HydrophobicContact CD2-CG 4.45Å; Y22-K49 HydrophobicContact CE1-CB 4.03Å; Y22-K49 HydrophobicContact CE2-CB 4.4Å; Y22-K49 HydrophobicContact CE2-CG 4.12Å; E27-K49 WeakPolarHBondContact OE2-CA 3.46Å; E27-K49 PolarHBondContact OE2-N 2.95Å; E27-K49 VanDerWaalsContact OE2-N 3.1Å; K49-Q53 WeakPolarHBondContact O-CB 3.45Å; K49-Q53 PolarHBondContact O-N 3.33Å; K49-M122 HydrophobicContact CD-CB 4.37Å; K49-M122 HydrophobicContact CD-CG 4.34Å; K49-M122 HydrophobicContact CG-CB 4.08Å; K49-M122 HydrophobicContact CG-CG 3.9Å
50Q90.8Very high87.3Confident118 Ų11862.9 Ų62.955%0.55134%0.343SS*.Hα-helixtrans-68.5-40.1-177.6-164.962.557.500112.3G48 Q53 T54G48-Q50 PolarHBondContact O-N 3.24Å; Q50-Q53 PolarHBondContact O-N 3.14Å; Q50-T54 WeakPolarHBondContact O-CG2 3.34Å; Q50-T54 PolarHBondContact O-N 3.25Å; Q50-T54 PolarHBondContact O-OG1 3.03Å
51N92.6Very high88.7Confident58 Ų5860.3 Ų60.331%0.3131%0.313SS..Hα-helixtrans-71.9-40.3178.8-64.1-37.3000110.9P45 Q46 P47 G48 Q53 T54 W55P45-N51 HydrophobicContact CB-CB 4.39Å; Q46-N51 WeakPolarHBondContact O-CB 3.31Å; Q46-N51 PolarHBondContact O-ND2 2.92Å; P47-N51 PolarHBondContact O-ND2 3.29Å; G48-N51 WeakPolarHBondContact O-CB 3.5Å; G48-N51 PolarHBondContact O-N 3.47Å; N51-Q53 VanDerWaalsContact C-N 3.33Å; N51-Q53 PolarHBondContact O-N 3.26Å; N51-T54 WeakPolarHBondContact CA-OG1 3.4Å; N51-T54 PolarHBondContact O-N 3.07Å; N51-T54 PolarHBondContact O-OG1 3.35Å; N51-W55 VanDerWaalsContact O-CB 3.27Å; N51-W55 WeakPolarHBondContact O-CB 3.33Å; N51-W55 PolarHBondContact O-N 2.96Å
52F93.8Very high90.2Very high0 Ų051.9 Ų51.90%027%0.268CS..Hα-helixtrans-62.7-41.2173.7-175.4-109.1000111.8E27 L30 V31 G48 W55 L56 M122 L129E27-F52 HydrophobicContact CG-CB 3.96Å; E27-F52 HydrophobicContact CG-CD1 4.29Å; E27-F52 HydrophobicContact CG-CD2 3.83Å; E27-F52 HydrophobicContact CG-CE2 4.37Å; E27-F52 HydrophobicContact CG-CG 3.77Å; E27-F52 VanDerWaalsContact OE2-CB 3.24Å; E27-F52 WeakPolarHBondContact OE2-CB 3.27Å; L30-F52 HydrophobicContact CB-CZ 4.38Å; L30-F52 HydrophobicContact CD1-CZ 4.4Å; V31-F52 HydrophobicContact CG2-CD2 3.59Å; V31-F52 HydrophobicContact CG2-CE2 3.67Å; G48-F52 PolarHBondContact O-N 2.72Å; F52-W55 HydrophobicContact CD2-CE3 4.12Å; F52-W55 HydrophobicContact CD2-CZ3 4.43Å; F52-W55 HydrophobicContact CE2-CE3 4.22Å; F52-W55 HydrophobicContact CE2-CZ3 4.18Å; F52-L56 HydrophobicContact CD1-CD1 4.21Å; F52-L56 HydrophobicContact CD2-CD1 4.44Å; F52-L56 HydrophobicContact CE1-CD1 3.59Å; F52-L56 HydrophobicContact CE2-CD1 3.86Å; F52-L56 HydrophobicContact CE2-CG 4.47Å; F52-L56 HydrophobicContact CZ-CD1 3.4Å; F52-L56 HydrophobicContact CZ-CG 4.44Å; F52-L56 PolarHBondContact O-N 3.16Å; F52-M122 HydrophobicContact CD1-CE 3.69Å; F52-M122 HydrophobicContact CE1-CE 4.16Å; F52-L129 HydrophobicContact CZ-CD1 4.1Å
53Q94.2Very high90.9Very high11 Ų1150.4 Ų50.45%0.05126%0.26CS..Hα-helixtrans-60.5-54.1174-174.3-165.2-5.900111.3K49 Q50 N51 W55 L56 M57 L116 W117 G119 M122K49-Q53 WeakPolarHBondContact O-CB 3.45Å; K49-Q53 PolarHBondContact O-N 3.33Å; Q50-Q53 PolarHBondContact O-N 3.14Å; N51-Q53 VanDerWaalsContact C-N 3.33Å; N51-Q53 PolarHBondContact O-N 3.26Å; Q53-W55 PolarHBondContact O-N 3.14Å; Q53-L56 PolarHBondContact O-N 3.27Å; Q53-L56 VanDerWaalsContact O-N 3.15Å; Q53-M57 HydrophobicContact CG-CE 3.91Å; Q53-M57 VanDerWaalsContact O-CB 3.23Å; Q53-M57 WeakPolarHBondContact O-CB 3.34Å; Q53-M57 PolarHBondContact O-N 3.43Å; Q53-L116 HydrophobicContact CG-CD1 4.35Å; Q53-L116 VanDerWaalsContact CG-O 3.26Å; Q53-L116 WeakPolarHBondContact CG-O 3.33Å; Q53-L116 PolarHBondContact NE2-O 3.15Å; Q53-W117 PolarHBondContact NE2-O 3.14Å; Q53-G119 VanDerWaalsContact NE2-N 3.1Å; Q53-M122 HydrophobicContact CB-CE 3.83Å; Q53-M122 HydrophobicContact CB-SD 3.91Å; Q53-M122 HydrophobicContact CG-CE 4.25Å; Q53-M122 HydrophobicContact CG-SD 3.77Å
54T92.8Very high91.4Very high78 Ų7847.6 Ų47.648%0.47924%0.242SC..Hα-helixtrans-61.9-34.4-177.352.30000112.2Q50 N51 M57Q50-T54 WeakPolarHBondContact O-CG2 3.34Å; Q50-T54 PolarHBondContact O-N 3.25Å; Q50-T54 PolarHBondContact O-OG1 3.03Å; N51-T54 WeakPolarHBondContact CA-OG1 3.4Å; N51-T54 PolarHBondContact O-N 3.07Å; N51-T54 PolarHBondContact O-OG1 3.35Å; T54-M57 HydrophobicContact CG2-CE 4.39Å
55W93.3Very high91.8Very high38 Ų3841.9 Ų41.914%0.14422%0.217CC..Hα-helixtrans-62.1-44.6174.8-17257.9000112.3V31 I34 V35 E43 P45 N51 F52 Q53 I61V31-W55 HydrophobicContact CB-CZ3 4.4Å; V31-W55 HydrophobicContact CG1-CH2 4.26Å; V31-W55 HydrophobicContact CG1-CZ3 4.37Å; V31-W55 HydrophobicContact CG2-CE3 4.48Å; V31-W55 HydrophobicContact CG2-CZ3 3.95Å; I34-W55 HydrophobicContact CB-CH2 3.97Å; I34-W55 HydrophobicContact CB-CZ3 4.36Å; I34-W55 HydrophobicContact CD1-CH2 4.45Å; I34-W55 HydrophobicContact CD1-CZ3 3.99Å; I34-W55 HydrophobicContact CG2-CH2 3.6Å; I34-W55 HydrophobicContact CG2-CZ2 4.33Å; I34-W55 HydrophobicContact CG2-CZ3 4.17Å; V35-W55 HydrophobicContact CG2-CH2 4.27Å; V35-W55 HydrophobicContact CG2-CZ2 4.37Å; E43-W55 PolarHBondContact O-NE1 3.38Å; P45-W55 HydrophobicContact CB-CB 4.1Å; P45-W55 HydrophobicContact CB-CD2 4.38Å; P45-W55 HydrophobicContact CB-CG 4.12Å; P45-W55 HydrophobicContact CG-CB 4.29Å; P45-W55 HydrophobicContact CG-CD2 3.74Å; P45-W55 HydrophobicContact CG-CE3 3.75Å; P45-W55 HydrophobicContact CG-CG 4.02Å; P45-W55 HydrophobicContact CG-CZ3 4.27Å; N51-W55 VanDerWaalsContact O-CB 3.27Å; N51-W55 WeakPolarHBondContact O-CB 3.33Å; N51-W55 PolarHBondContact O-N 2.96Å; F52-W55 HydrophobicContact CD2-CE3 4.12Å; F52-W55 HydrophobicContact CD2-CZ3 4.43Å; F52-W55 HydrophobicContact CE2-CE3 4.22Å; F52-W55 HydrophobicContact CE2-CZ3 4.18Å; Q53-W55 PolarHBondContact O-N 3.14Å; W55-I61 HydrophobicContact CD2-CD1 3.88Å; W55-I61 VanDerWaalsContact CE2-CD1 3.5Å; W55-I61 HydrophobicContact CG-CD1 3.93Å; W55-I61 HydrophobicContact CZ2-CD1 4.11Å; W55-I61 VanDerWaalsContact NE1-CD1 3.31Å; W55-I61 WeakPolarHBondContact O-CD1 3.48Å
56L93.5Very high92.1Very high0 Ų040.6 Ų40.60%021%0.209CC..Hα-helixtrans-86.8-17.6-178.8-64.1-178.2000114.3I34 F52 Q53 D58 G59 I61 L62 L116 V125 L129I34-L56 HydrophobicContact CD1-CD2 4.27Å; F52-L56 HydrophobicContact CD1-CD1 4.21Å; F52-L56 HydrophobicContact CD2-CD1 4.44Å; F52-L56 HydrophobicContact CE1-CD1 3.59Å; F52-L56 HydrophobicContact CE2-CD1 3.86Å; F52-L56 HydrophobicContact CE2-CG 4.47Å; F52-L56 HydrophobicContact CZ-CD1 3.4Å; F52-L56 HydrophobicContact CZ-CG 4.44Å; F52-L56 PolarHBondContact O-N 3.16Å; Q53-L56 PolarHBondContact O-N 3.27Å; Q53-L56 VanDerWaalsContact O-N 3.15Å; L56-D58 VanDerWaalsContact C-N 3.27Å; L56-D58 PolarHBondContact O-N 3Å; L56-G59 PolarHBondContact O-N 2.93Å; L56-I61 HydrophobicContact CD2-CB 4.17Å; L56-I61 HydrophobicContact CD2-CG2 3.73Å; L56-L62 HydrophobicContact CD1-CD2 4.39Å; L56-L62 HydrophobicContact CD2-CD2 4.06Å; L56-L62 HydrophobicContact CD2-CG 4.31Å; L56-L116 HydrophobicContact CB-CD1 3.85Å; L56-L116 HydrophobicContact CB-CD2 4.2Å; L56-V125 HydrophobicContact CD1-CG1 4.3Å; L56-L129 HydrophobicContact CD1-CD1 4.12Å
57M91.8Very high92.3Very high42 Ų4234 Ų3421%0.20718%0.178CC..Hα-helixtrans-59.1-32.6-171.8-177.2-177.7-6000113.9Q53 T54 G59 W117Q53-M57 HydrophobicContact CG-CE 3.91Å; Q53-M57 VanDerWaalsContact O-CB 3.23Å; Q53-M57 WeakPolarHBondContact O-CB 3.34Å; Q53-M57 PolarHBondContact O-N 3.43Å; T54-M57 HydrophobicContact CG2-CE 4.39Å; M57-G59 PolarHBondContact O-N 3.14Å; M57-W117 HydrophobicContact CG-CG 4.35Å
58D89.4Confident92.4Very high35 Ų3530.8 Ų30.819%0.18716%0.158CC..THydrogen-bonded Turntrans-69-18.8176.8-177.662.7000112.4L56 T60 Q89 K92L56-D58 VanDerWaalsContact C-N 3.27Å; L56-D58 PolarHBondContact O-N 3Å; D58-T60 PolarHBondContact O-N 3.39Å; D58-T60 VanDerWaalsContact O-N 3.11Å; D58-T60 VanDerWaalsContact OD2-CB 3.27Å; D58-T60 WeakPolarHBondContact OD2-CB 3.44Å; D58-T60 WeakPolarHBondContact OD2-CG2 3.37Å; D58-T60 PolarHBondContact OD2-OG1 3.33Å; D58-Q89 WeakPolarHBondContact OD1-CG 2.9Å; D58-Q89 PolarHBondContact OD1-NE2 3.22Å; D58-Q89 VanDerWaalsContact OD1-NE2 3.16Å; D58-K92 WeakPolarHBondContact O-CE 3.3Å; D58-K92 PolarHBondContact O-NZ 3.23Å; D58-K92 IonicContact OD1-NZ 2.76Å; D58-K92 PolarHBondContact OD1-NZ 3.4Å; D58-K92 IonicContact OD2-NZ 3.24Å; D58-K92 PolarHBondContact OD2-NZ 2.9Å
59G89.9Confident92.5Very high0 Ų029.5 Ų29.50%014%0.144CC..SBendtrans75.3-12.7178.500000114.8L56 M57 I61 L62 C63L56-G59 PolarHBondContact O-N 2.93Å; M57-G59 PolarHBondContact O-N 3.14Å; G59-I61 PolarHBondContact O-N 3.42Å; G59-L62 PolarHBondContact O-N 3.36Å; G59-C63 PolarHBondContact O-N 2.93Å; G59-C63 PolarHBondContact O-SG 2.93Å
60T91.7Very high92.5Very high17 Ų1729.4 Ų29.410%0.10414%0.143CC..Hα-helixtrans-57.1-46175.8380000112.4D58 C63 R64 I80 K92D58-T60 PolarHBondContact O-N 3.39Å; D58-T60 VanDerWaalsContact O-N 3.11Å; D58-T60 VanDerWaalsContact OD2-CB 3.27Å; D58-T60 WeakPolarHBondContact OD2-CB 3.44Å; D58-T60 WeakPolarHBondContact OD2-CG2 3.37Å; D58-T60 PolarHBondContact OD2-OG1 3.33Å; T60-C63 PolarHBondContact O-N 3.38Å; T60-R64 WeakPolarHBondContact O-CG 3.34Å; T60-R64 PolarHBondContact O-N 2.86Å; T60-I80 HydrophobicContact CG2-CG2 3.56Å; T60-K92 HydrophobicContact CG2-CD 4.33Å
61I92.7Very high92.4Very high12 Ų1226.3 Ų26.36%0.06213%0.133CC..Hα-helixtrans-64.3-41.8179.7-71163000110.9I34 L42 W55 L56 G59 R64 L65I34-I61 HydrophobicContact CG2-CG2 3.48Å; I34-I61 VanDerWaalsContact CG2-CG2 3.48Å; L42-I61 HydrophobicContact CD2-CD1 4.42Å; L42-I61 HydrophobicContact CD2-CG1 4.18Å; W55-I61 HydrophobicContact CD2-CD1 3.88Å; W55-I61 VanDerWaalsContact CE2-CD1 3.5Å; W55-I61 HydrophobicContact CG-CD1 3.93Å; W55-I61 HydrophobicContact CZ2-CD1 4.11Å; W55-I61 VanDerWaalsContact NE1-CD1 3.31Å; W55-I61 WeakPolarHBondContact O-CD1 3.48Å; L56-I61 HydrophobicContact CD2-CB 4.17Å; L56-I61 HydrophobicContact CD2-CG2 3.73Å; G59-I61 PolarHBondContact O-N 3.42Å; I61-R64 PolarHBondContact O-N 3.34Å; I61-L65 WeakPolarHBondContact O-CB 3.4Å; I61-L65 PolarHBondContact O-N 3.28Å
62L94.3Very high92Very high0 Ų035.2 Ų35.20%016%0.162CC..Hα-helixtrans-63.9-43.4177-66.7178.8000111.8L56 G59 R64 L65 I66 F96 F111 L116 L129L56-L62 HydrophobicContact CD1-CD2 4.39Å; L56-L62 HydrophobicContact CD2-CD2 4.06Å; L56-L62 HydrophobicContact CD2-CG 4.31Å; G59-L62 PolarHBondContact O-N 3.36Å; L62-R64 VanDerWaalsContact C-N 3.35Å; L62-R64 PolarHBondContact O-N 2.9Å; L62-L65 WeakPolarHBondContact O-CB 3.13Å; L62-L65 PolarHBondContact O-N 3.33Å; L62-I66 PolarHBondContact O-N 3.04Å; L62-F96 HydrophobicContact CB-CB 4.04Å; L62-F96 HydrophobicContact CB-CD1 4.11Å; L62-F96 HydrophobicContact CB-CD2 3.79Å; L62-F96 HydrophobicContact CB-CE2 4.26Å; L62-F96 HydrophobicContact CB-CG 3.69Å; L62-F96 HydrophobicContact CD1-CD1 4.05Å; L62-F96 HydrophobicContact CD1-CE1 4.36Å; L62-F96 HydrophobicContact CD1-CG 4.44Å; L62-F96 HydrophobicContact CD2-CE1 4.27Å; L62-F96 HydrophobicContact CD2-CE2 4.4Å; L62-F96 HydrophobicContact CD2-CZ 4.17Å; L62-F96 HydrophobicContact CG-CD1 4.5Å; L62-F96 WeakPolarHBondContact O-CD2 3.45Å; L62-F111 HydrophobicContact CD1-CZ 4.16Å; L62-L116 HydrophobicContact CD1-CD2 3.46Å; L62-L116 VanDerWaalsContact CD1-CD2 3.46Å; L62-L129 HydrophobicContact CD2-CD2 3.96Å
63C93.6Very high91.4Very high0 Ų038.5 Ų38.50%020%0.196CC..Hα-helixtrans-62.6-41.3175.2-64.40000112G59 T60 I66 N67 I77 I80 K92G59-C63 PolarHBondContact O-N 2.93Å; G59-C63 PolarHBondContact O-SG 2.93Å; T60-C63 PolarHBondContact O-N 3.38Å; C63-I66 WeakPolarHBondContact O-CG2 3.33Å; C63-N67 WeakPolarHBondContact O-CB 3.45Å; C63-N67 PolarHBondContact O-N 3.24Å; C63-N67 VanDerWaalsContact O-N 3.09Å; C63-I77 HydrophobicContact CB-CD1 3.91Å; C63-I77 HydrophobicContact CB-CG2 4.22Å; C63-I80 HydrophobicContact CB-CD1 3.56Å; C63-I80 HydrophobicContact CB-CG1 3.9Å; C63-I80 HydrophobicContact CB-CG2 4.27Å; C63-K92 PolarHBondContact SG-O 3.34Å
64R92.2Very high91.1Very high113 Ų11345.5 Ų45.543%0.42623%0.227SC..Hα-helixtrans-64.7-40.9175-72.4177.2-172.3172.65.6111.6T60 I61 L62 N67 S68 I80 E82T60-R64 WeakPolarHBondContact O-CG 3.34Å; T60-R64 PolarHBondContact O-N 2.86Å; I61-R64 PolarHBondContact O-N 3.34Å; L62-R64 VanDerWaalsContact C-N 3.35Å; L62-R64 PolarHBondContact O-N 2.9Å; R64-N67 PolarHBondContact O-N 2.76Å; R64-S68 WeakPolarHBondContact O-CB 3.36Å; R64-S68 PolarHBondContact O-N 3.43Å; R64-I80 HydrophobicContact CG-CD1 4.02Å; R64-E82 IonicContact NH2-OE1 3.78Å
65L94Very high90.9Very high0 Ų045.5 Ų45.50%022%0.221CC..Hα-helixtrans-58.8-55.3178.7179.368.5000110.7W33 I34 Q37 C38 I61 L62 N67 S68 L69 L129 L132W33-L65 HydrophobicContact CH2-CD1 4.11Å; W33-L65 HydrophobicContact CH2-CD2 4.07Å; W33-L65 HydrophobicContact CH2-CG 4.38Å; W33-L65 HydrophobicContact CZ2-CD1 4.18Å; W33-L65 HydrophobicContact CZ3-CD1 4.31Å; W33-L65 HydrophobicContact CZ3-CD2 3.93Å; I34-L65 HydrophobicContact CG1-CD1 4.18Å; I34-L65 HydrophobicContact CG1-CD2 4.05Å; Q37-L65 HydrophobicContact CB-CD1 3.88Å; Q37-L65 HydrophobicContact CG-CD1 3.6Å; C38-L65 WeakPolarHBondContact SG-CA 3.3Å; C38-L65 PolarHBondContact SG-N 3.48Å; C38-L65 VanDerWaalsContact SG-N 3.43Å; I61-L65 WeakPolarHBondContact O-CB 3.4Å; I61-L65 PolarHBondContact O-N 3.28Å; L62-L65 WeakPolarHBondContact O-CB 3.13Å; L62-L65 PolarHBondContact O-N 3.33Å; L65-N67 VanDerWaalsContact C-N 3.34Å; L65-N67 PolarHBondContact O-N 2.95Å; L65-S68 PolarHBondContact O-N 2.82Å; L65-S68 PolarHBondContact O-OG 3.43Å; L65-L69 PolarHBondContact O-N 3.4Å; L65-L129 HydrophobicContact CD2-CD2 3.67Å; L65-L132 HydrophobicContact CD2-CD2 4.3Å
66I94.2Very high90.7Very high0 Ų046.3 Ų46.30%023%0.231CC..Hα-helixtrans-64.3-40.5-179.1-168.559.6000111.4L62 C63 S68 L69 Y70 P76 I77 F96 A99 Y103 L132L62-I66 PolarHBondContact O-N 3.04Å; C63-I66 WeakPolarHBondContact O-CG2 3.33Å; I66-S68 VanDerWaalsContact C-N 3.29Å; I66-S68 PolarHBondContact O-N 3.29Å; I66-L69 HydrophobicContact CD1-CD1 4.21Å; I66-L69 WeakPolarHBondContact O-CB 3.5Å; I66-L69 PolarHBondContact O-N 3.09Å; I66-L69 VanDerWaalsContact O-N 3.14Å; I66-Y70 HydrophobicContact CD1-CE2 4.09Å; I66-Y70 HydrophobicContact CG1-CE2 4.13Å; I66-Y70 VanDerWaalsContact O-CD2 3.3Å; I66-Y70 WeakPolarHBondContact O-CD2 3.38Å; I66-P76 HydrophobicContact CG1-CG 4.23Å; I66-P76 HydrophobicContact CG2-CG 4.4Å; I66-I77 HydrophobicContact CG2-CD1 3.78Å; I66-F96 HydrophobicContact CB-CD2 3.86Å; I66-F96 HydrophobicContact CB-CE2 4.08Å; I66-F96 HydrophobicContact CG2-CD2 3.9Å; I66-A99 HydrophobicContact CG1-CB 3.73Å; I66-A99 HydrophobicContact CG2-CB 4.19Å; I66-Y103 HydrophobicContact CD1-CD2 4.38Å; I66-Y103 HydrophobicContact CD1-CG 4.26Å; I66-L132 HydrophobicContact CD1-CD1 3.87Å; I66-L132 HydrophobicContact CD1-CD2 4.23Å
67N93.8Very high90.5Very high11 Ų1146.7 Ų46.76%0.05923%0.233CC..Hα-helixtrans-60.7-38.1177.3-78.6-4.5000112.7C63 R64 L65 L69 Y70 E75 P76 I77C63-N67 WeakPolarHBondContact O-CB 3.45Å; C63-N67 PolarHBondContact O-N 3.24Å; C63-N67 VanDerWaalsContact O-N 3.09Å; R64-N67 PolarHBondContact O-N 2.76Å; L65-N67 VanDerWaalsContact C-N 3.34Å; L65-N67 PolarHBondContact O-N 2.95Å; N67-L69 PolarHBondContact O-N 3.05Å; N67-Y70 PolarHBondContact O-N 3.28Å; N67-E75 HydrophobicContact CB-CB 4.24Å; N67-E75 HydrophobicContact CB-CG 3.98Å; N67-P76 WeakPolarHBondContact OD1-CD 3.24Å; N67-I77 PolarHBondContact ND2-O 3.5Å; N67-I77 WeakPolarHBondContact OD1-CB 3.28Å; N67-I77 PolarHBondContact OD1-N 3.24Å; N67-I77 VanDerWaalsContact OD1-N 3.09Å
68S91.8Very high90.2Very high29 Ų2953.4 Ų53.420%0.20326%0.261CS..Hα-helixtrans-66.3-21.3179.576.70000113.8Q37 R64 L65 I66 Y70Q37-S68 VanDerWaalsContact CG-OG 3.28Å; Q37-S68 WeakPolarHBondContact CG-OG 3.15Å; Q37-S68 PolarHBondContact NE2-O 3.17Å; Q37-S68 PolarHBondContact NE2-OG 2.71Å; R64-S68 WeakPolarHBondContact O-CB 3.36Å; R64-S68 PolarHBondContact O-N 3.43Å; L65-S68 PolarHBondContact O-N 2.82Å; L65-S68 PolarHBondContact O-OG 3.43Å; I66-S68 VanDerWaalsContact C-N 3.29Å; I66-S68 PolarHBondContact O-N 3.29Å; S68-Y70 VanDerWaalsContact C-N 3.26Å
69L91.7Very high89.9Confident1 Ų160.2 Ų60.21%0.00529%0.289CS..THydrogen-bonded Turntrans-80.1-8.3174.8-64.2175.1000112.6Q37 L65 I66 N67 Y103 L132 A136Q37-L69 HydrophobicContact CG-CD2 4.21Å; L65-L69 PolarHBondContact O-N 3.4Å; I66-L69 HydrophobicContact CD1-CD1 4.21Å; I66-L69 WeakPolarHBondContact O-CB 3.5Å; I66-L69 PolarHBondContact O-N 3.09Å; I66-L69 VanDerWaalsContact O-N 3.14Å; N67-L69 PolarHBondContact O-N 3.05Å; L69-Y103 HydrophobicContact CB-CE2 4.01Å; L69-Y103 HydrophobicContact CD1-CE1 4.45Å; L69-L132 HydrophobicContact CD1-CD1 3.91Å; L69-L132 HydrophobicContact CD1-CD2 4.07Å; L69-L132 HydrophobicContact CD1-CG 3.87Å; L69-A136 HydrophobicContact CD1-CB 4.3Å; L69-A136 HydrophobicContact CD2-CB 3.68Å
70Y91.1Very high89.8Confident54 Ų5462.4 Ų62.421%0.21230%0.301CS..SBendtrans-102.3149.2174.7-75.9-101.4000110.8I66 N67 S68 K74 P76 Y103I66-Y70 HydrophobicContact CD1-CE2 4.09Å; I66-Y70 HydrophobicContact CG1-CE2 4.13Å; I66-Y70 VanDerWaalsContact O-CD2 3.3Å; I66-Y70 WeakPolarHBondContact O-CD2 3.38Å; N67-Y70 PolarHBondContact O-N 3.28Å; S68-Y70 VanDerWaalsContact C-N 3.26Å; Y70-K74 VanDerWaalsContact CD1-O 3.31Å; Y70-K74 WeakPolarHBondContact CD1-O 3.41Å; Y70-P76 HydrophobicContact CD2-CG 3.98Å; Y70-P76 HydrophobicContact CE2-CG 3.81Å; Y70-Y103 HydrophobicContact CD2-CD2 4.44Å; Y70-Y103 AromaticContact CE2-CD2 3.61Å; Y70-Y103 HydrophobicContact CE2-CD2 3.61Å; Y70-Y103 HydrophobicContact CE2-CE2 4.21Å; Y70-Y103 AromaticContact CZ-CD2 3.72Å
71P88.4Confident89.4Confident53 Ų5365.1 Ų65.134%0.34432%0.319SS..PPolyproline II helixtrans-58.9148.4169.7-22.632.7000111.5G73 K74 Q143P71-G73 PolarHBondContact O-N 3.48Å; P71-G73 VanDerWaalsContact O-N 3.17Å; P71-K74 PolarHBondContact O-N 2.94Å; P71-Q143 HydrophobicContact CG-CG 4.5Å
72R83.3Confident88.9Confident245 Ų24572 Ų7293%0.92535%0.351SS*.THydrogen-bonded Turntrans-52.5123-179.9-165.6176.6-176.5-171.3-0.1110.6
73G81.6Confident88.4Confident69 Ų6973.6 Ų73.671%0.71136%0.36SS*.THydrogen-bonded Turntrans93.1-10.6-179.200000115.8P71P71-G73 PolarHBondContact O-N 3.48Å; P71-G73 VanDerWaalsContact O-N 3.17Å
74K87.2Confident88Confident159 Ų15981.9 Ų81.969%0.69140%0.399SS*.  trans-10419.2170.9-67-169.6178.2-177.90112.9Y70 P71Y70-K74 VanDerWaalsContact CD1-O 3.31Å; Y70-K74 WeakPolarHBondContact CD1-O 3.41Å; P71-K74 PolarHBondContact O-N 2.94Å
75E89.3Confident87.8Confident77 Ų7782.6 Ų82.636%0.3641%0.408SS..  trans-61.8128.6179.9-67.1168.3-165.800110.6N67 I77N67-E75 HydrophobicContact CB-CB 4.24Å; N67-E75 HydrophobicContact CB-CG 3.98Å; E75-I77 VanDerWaalsContact C-N 3.29Å; E75-I77 PolarHBondContact O-N 2.86Å
76P89.1Confident87.6Confident56 Ų5684.5 Ų84.536%0.36443%0.425SS..SBendtrans-66.3-32.8179.224.6-32.8000112I66 N67 Y70 A99I66-P76 HydrophobicContact CG1-CG 4.23Å; I66-P76 HydrophobicContact CG2-CG 4.4Å; N67-P76 WeakPolarHBondContact OD1-CD 3.24Å; Y70-P76 HydrophobicContact CD2-CG 3.98Å; Y70-P76 HydrophobicContact CE2-CG 3.81Å; P76-A99 HydrophobicContact CB-CB 3.83Å; P76-A99 HydrophobicContact CG-CB 3.79Å
77I89.9Confident87.4Confident8 Ų891.7 Ų91.74%0.04146%0.456CS..  trans-113.495.4-173.5-54.4176.2000110C63 I66 N67 E75 I80 Q95 A99C63-I77 HydrophobicContact CB-CD1 3.91Å; C63-I77 HydrophobicContact CB-CG2 4.22Å; I66-I77 HydrophobicContact CG2-CD1 3.78Å; N67-I77 PolarHBondContact ND2-O 3.5Å; N67-I77 WeakPolarHBondContact OD1-CB 3.28Å; N67-I77 PolarHBondContact OD1-N 3.24Å; N67-I77 VanDerWaalsContact OD1-N 3.09Å; E75-I77 VanDerWaalsContact C-N 3.29Å; E75-I77 PolarHBondContact O-N 2.86Å; I77-I80 HydrophobicContact CG2-CG1 3.98Å; I77-Q95 HydrophobicContact CD1-CB 3.96Å; I77-Q95 HydrophobicContact CG1-CB 4.34Å; I77-A99 HydrophobicContact CD1-CB 4.46Å
78K84.6Confident87.3Confident182 Ų18295 Ų9579%0.79147%0.47SS*.  trans-76.5-26-172.6-64.1-179.7-178.4179.30115.1
79K84.6Confident87.3Confident178 Ų17894.6 Ų94.677%0.77447%0.465SS*.  trans-131.5119.9-174.2-68.5-175.2-179.6-179.10109.6P81K79-P81 WeakPolarHBondContact O-CD 3.44Å
80I86.1Confident87.4Confident47 Ų4797.2 Ų97.224%0.24148%0.478CS..  trans-120.682.9177.3-49170.5000107.5T60 C63 R64 I77 K92T60-I80 HydrophobicContact CG2-CG2 3.56Å; C63-I80 HydrophobicContact CB-CD1 3.56Å; C63-I80 HydrophobicContact CB-CG1 3.9Å; C63-I80 HydrophobicContact CB-CG2 4.27Å; R64-I80 HydrophobicContact CG-CD1 4.02Å; I77-I80 HydrophobicContact CG2-CG1 3.98Å; I80-K92 HydrophobicContact CG2-CD 4.16Å
81P83.2Confident87.5Confident74 Ų7498 Ų9848%0.48148%0.483SS..  trans-70138.1178.228.8-33.1000110.7K79K79-P81 WeakPolarHBondContact O-CD 3.44Å
82E82.5Confident87.7Confident157 Ų15795.7 Ų95.773%0.73447%0.468SS*.  trans-79.6122.6169.7-67.1-175.4-18000109.1R64R64-E82 IonicContact NH2-OE1 3.78Å
83T85.3Confident88.3Confident33 Ų3384 Ų8420%0.20242%0.424CS..  trans-159.4140.1-176.8176.90000110.5M85 K88T83-M85 VanDerWaalsContact C-N 3.27Å; T83-M85 PolarHBondContact OG1-N 3.25Å; T83-K88 HydrophobicContact CG2-CB 3.31Å; T83-K88 HydrophobicContact CG2-CG 3.95Å
84Q84.6Confident88.9Confident173 Ų17383 Ų8381%0.80841%0.405SS*.  trans-86.51.6176.6-64-65.4-16.800112.5A86Q84-A86 PolarHBondContact O-N 2.88Å
85M88.5Confident89.3Confident128 Ų12878.2 Ų78.263%0.63139%0.386SS*.  trans-73.6117.4180-68-177.5172.100110.6T83 F87 K88 Q89T83-M85 VanDerWaalsContact C-N 3.27Å; T83-M85 PolarHBondContact OG1-N 3.25Å; M85-F87 VanDerWaalsContact C-N 3.28Å; M85-F87 PolarHBondContact O-N 3.47Å; M85-K88 HydrophobicContact CB-CB 4.15Å; M85-K88 HydrophobicContact CB-CG 4.03Å; M85-K88 WeakPolarHBondContact O-CA 3.27Å; M85-K88 WeakPolarHBondContact O-CB 3.37Å; M85-K88 PolarHBondContact O-N 3.24Å; M85-Q89 PolarHBondContact O-N 3.09Å; M85-Q89 VanDerWaalsContact O-N 3.07Å
86A89.2Confident89.7Confident41 Ų4174.6 Ų74.634%0.33937%0.369SS..Hα-helixtrans-47.9-46178.800000113.6Q84 K88 Q89 M90 W117Q84-A86 PolarHBondContact O-N 2.88Å; A86-K88 VanDerWaalsContact C-N 3.29Å; A86-K88 PolarHBondContact O-N 2.75Å; A86-Q89 WeakPolarHBondContact O-CB 3.42Å; A86-Q89 PolarHBondContact O-N 3.45Å; A86-M90 WeakPolarHBondContact O-CG 3.27Å; A86-M90 PolarHBondContact O-N 3.34Å; A86-W117 HydrophobicContact CB-CH2 4.13Å; A86-W117 HydrophobicContact CB-CZ2 3.46Å; A86-W117 VanDerWaalsContact CB-CZ2 3.46Å
87F90.8Very high90Very high150 Ų15072.8 Ų72.866%0.65836%0.356SS*.Hα-helixtrans-60.3-38.4178.2178.1-98.8000112.6M85 M90 E91M85-F87 VanDerWaalsContact C-N 3.28Å; M85-F87 PolarHBondContact O-N 3.47Å; F87-M90 PolarHBondContact O-N 3.36Å; F87-E91 WeakPolarHBondContact O-CB 3.36Å; F87-E91 PolarHBondContact O-N 3.44Å
88K90.7Very high90.3Very high80 Ų8078.3 Ų78.335%0.34838%0.382SS..Hα-helixtrans-73.4-32.2178.3-68.9-65.5179.2-170.70112.7T83 M85 A86 E91 K92T83-K88 HydrophobicContact CG2-CB 3.31Å; T83-K88 HydrophobicContact CG2-CG 3.95Å; M85-K88 HydrophobicContact CB-CB 4.15Å; M85-K88 HydrophobicContact CB-CG 4.03Å; M85-K88 WeakPolarHBondContact O-CA 3.27Å; M85-K88 WeakPolarHBondContact O-CB 3.37Å; M85-K88 PolarHBondContact O-N 3.24Å; A86-K88 VanDerWaalsContact C-N 3.29Å; A86-K88 PolarHBondContact O-N 2.75Å; K88-E91 VanDerWaalsContact CD-OE2 3.29Å; K88-E91 WeakPolarHBondContact CD-OE2 3.4Å; K88-E91 IonicContact NZ-OE2 2.78Å; K88-E91 PolarHBondContact NZ-OE2 3.01Å; K88-E91 PolarHBondContact O-N 3.27Å; K88-K92 WeakPolarHBondContact O-CG 3.38Å; K88-K92 PolarHBondContact O-N 3.35Å
89Q92Very high90.8Very high21 Ų2170 Ų7010%0.09835%0.346CS..Hα-helixtrans-64.6-46.9170.8-65.9175.8-26.900111D58 M85 A86 E91 K92 I93D58-Q89 WeakPolarHBondContact OD1-CG 2.9Å; D58-Q89 PolarHBondContact OD1-NE2 3.22Å; D58-Q89 VanDerWaalsContact OD1-NE2 3.16Å; M85-Q89 PolarHBondContact O-N 3.09Å; M85-Q89 VanDerWaalsContact O-N 3.07Å; A86-Q89 WeakPolarHBondContact O-CB 3.42Å; A86-Q89 PolarHBondContact O-N 3.45Å; Q89-E91 VanDerWaalsContact C-N 3.29Å; Q89-E91 PolarHBondContact O-N 3.13Å; Q89-K92 WeakPolarHBondContact O-CB 3.35Å; Q89-K92 PolarHBondContact O-N 2.87Å; Q89-I93 WeakPolarHBondContact O-CG1 3.36Å; Q89-I93 PolarHBondContact O-N 3.45Å
90M92.9Very high91.3Very high57 Ų5761.5 Ų61.528%0.28131%0.309SS..Hα-helixtrans-59.7-39.5174.6-69.6-178.8178.900112.4A86 F87 I93 S94 T113 W117A86-M90 WeakPolarHBondContact O-CG 3.27Å; A86-M90 PolarHBondContact O-N 3.34Å; F87-M90 PolarHBondContact O-N 3.36Å; M90-I93 PolarHBondContact O-N 3.39Å; M90-S94 WeakPolarHBondContact O-CB 3.38Å; M90-S94 PolarHBondContact O-N 3.07Å; M90-T113 HydrophobicContact CB-CG2 3.73Å; M90-T113 HydrophobicContact CG-CG2 3.8Å; M90-W117 HydrophobicContact CE-CD2 3.32Å; M90-W117 HydrophobicContact CE-CE3 3.13Å; M90-W117 HydrophobicContact CE-CG 3.98Å; M90-W117 HydrophobicContact CE-CH2 3.85Å; M90-W117 HydrophobicContact CE-CZ2 4.04Å; M90-W117 HydrophobicContact CE-CZ3 3.41Å; M90-W117 VanDerWaalsContact CE-CZ3 3.41Å; M90-W117 HydrophobicContact CG-CD2 4.3Å; M90-W117 HydrophobicContact CG-CG 4.09Å
91E93.6Very high91.7Very high69 Ų6964 Ų6432%0.32232%0.32SS..Hα-helixtrans-62.5-44.7175.1-168.7-177.6171.500111.5F87 K88 Q89 I93 S94 Q95F87-E91 WeakPolarHBondContact O-CB 3.36Å; F87-E91 PolarHBondContact O-N 3.44Å; K88-E91 VanDerWaalsContact CD-OE2 3.29Å; K88-E91 WeakPolarHBondContact CD-OE2 3.4Å; K88-E91 IonicContact NZ-OE2 2.78Å; K88-E91 PolarHBondContact NZ-OE2 3.01Å; K88-E91 PolarHBondContact O-N 3.27Å; Q89-E91 VanDerWaalsContact C-N 3.29Å; Q89-E91 PolarHBondContact O-N 3.13Å; E91-I93 PolarHBondContact O-N 3.49Å; E91-S94 WeakPolarHBondContact O-CB 3.21Å; E91-S94 PolarHBondContact O-N 3.47Å; E91-Q95 WeakPolarHBondContact O-CG 3.4Å; E91-Q95 PolarHBondContact O-N 3.32Å
92K93.9Very high92.2Very high6 Ų664.3 Ų64.33%0.02633%0.329CS..Hα-helixtrans-59.5-46175.3-76-178.6-751750111.9D58 T60 C63 I80 K88 Q89 S94 Q95 F96D58-K92 WeakPolarHBondContact O-CE 3.3Å; D58-K92 PolarHBondContact O-NZ 3.23Å; D58-K92 IonicContact OD1-NZ 2.76Å; D58-K92 PolarHBondContact OD1-NZ 3.4Å; D58-K92 IonicContact OD2-NZ 3.24Å; D58-K92 PolarHBondContact OD2-NZ 2.9Å; T60-K92 HydrophobicContact CG2-CD 4.33Å; C63-K92 PolarHBondContact SG-O 3.34Å; I80-K92 HydrophobicContact CG2-CD 4.16Å; K88-K92 WeakPolarHBondContact O-CG 3.38Å; K88-K92 PolarHBondContact O-N 3.35Å; Q89-K92 WeakPolarHBondContact O-CB 3.35Å; Q89-K92 PolarHBondContact O-N 2.87Å; K92-S94 VanDerWaalsContact C-N 3.33Å; K92-S94 PolarHBondContact O-N 2.89Å; K92-Q95 PolarHBondContact O-N 2.9Å; K92-F96 PolarHBondContact O-N 3.43Å
93I95.3Very high92.7Very high0 Ų057.1 Ų57.10%030%0.295CS..Hα-helixtrans-60.1-45.9176.1-64.3165.5000110.1Q89 M90 E91 Q95 F96 L97 F111 T113 L116 W117Q89-I93 WeakPolarHBondContact O-CG1 3.36Å; Q89-I93 PolarHBondContact O-N 3.45Å; M90-I93 PolarHBondContact O-N 3.39Å; E91-I93 PolarHBondContact O-N 3.49Å; I93-Q95 VanDerWaalsContact C-N 3.35Å; I93-Q95 PolarHBondContact O-N 2.93Å; I93-F96 WeakPolarHBondContact O-CB 3.4Å; I93-F96 PolarHBondContact O-N 3.36Å; I93-F96 VanDerWaalsContact O-N 3.15Å; I93-L97 HydrophobicContact CG2-CD1 4.19Å; I93-L97 HydrophobicContact CG2-CG 4.45Å; I93-L97 WeakPolarHBondContact O-CG 3.4Å; I93-L97 PolarHBondContact O-N 3.37Å; I93-F111 HydrophobicContact CG2-CE2 3.71Å; I93-F111 HydrophobicContact CG2-CZ 4.03Å; I93-T113 HydrophobicContact CB-CG2 4.06Å; I93-T113 HydrophobicContact CD1-CG2 4.2Å; I93-T113 HydrophobicContact CG2-CG2 4.04Å; I93-L116 HydrophobicContact CD1-CD2 3.92Å; I93-L116 HydrophobicContact CD1-CG 4.28Å; I93-L116 HydrophobicContact CG1-CD2 4.09Å; I93-L116 HydrophobicContact CG2-CD2 4.36Å; I93-W117 HydrophobicContact CD1-CB 4.21Å
94S94.8Very high93Very high46 Ų4657.5 Ų57.532%0.32231%0.306SS..Hα-helixtrans-58.9-43.3177.8-172.40000112.6M90 E91 K92 F96 L97 Q98M90-S94 WeakPolarHBondContact O-CB 3.38Å; M90-S94 PolarHBondContact O-N 3.07Å; E91-S94 WeakPolarHBondContact O-CB 3.21Å; E91-S94 PolarHBondContact O-N 3.47Å; K92-S94 VanDerWaalsContact C-N 3.33Å; K92-S94 PolarHBondContact O-N 2.89Å; S94-F96 VanDerWaalsContact C-N 3.33Å; S94-F96 PolarHBondContact O-N 3.04Å; S94-L97 PolarHBondContact O-N 3.28Å; S94-L97 VanDerWaalsContact O-N 3.16Å; S94-Q98 WeakPolarHBondContact O-CG 3.46Å; S94-Q98 PolarHBondContact O-N 3.37Å
95Q95.4Very high93.5Very high60 Ų6049.5 Ų49.528%0.2827%0.268SS..Hα-helixtrans-61.8-39.6175.9-70.51751700112.2I77 E91 K92 I93 A99I77-Q95 HydrophobicContact CD1-CB 3.96Å; I77-Q95 HydrophobicContact CG1-CB 4.34Å; E91-Q95 WeakPolarHBondContact O-CG 3.4Å; E91-Q95 PolarHBondContact O-N 3.32Å; K92-Q95 PolarHBondContact O-N 2.9Å; I93-Q95 VanDerWaalsContact C-N 3.35Å; I93-Q95 PolarHBondContact O-N 2.93Å; Q95-A99 WeakPolarHBondContact O-CB 3.24Å; Q95-A99 PolarHBondContact O-N 3.11Å
96F96.3Very high93.7Very high0 Ų046.6 Ų46.60%026%0.258CS..Hα-helixtrans-60.7-45.1172.7163.1-97.7000111.8L62 I66 K92 I93 S94 Q98 A99 A100 F111 L129 L132L62-F96 HydrophobicContact CB-CB 4.04Å; L62-F96 HydrophobicContact CB-CD1 4.11Å; L62-F96 HydrophobicContact CB-CD2 3.79Å; L62-F96 HydrophobicContact CB-CE2 4.26Å; L62-F96 HydrophobicContact CB-CG 3.69Å; L62-F96 HydrophobicContact CD1-CD1 4.05Å; L62-F96 HydrophobicContact CD1-CE1 4.36Å; L62-F96 HydrophobicContact CD1-CG 4.44Å; L62-F96 HydrophobicContact CD2-CE1 4.27Å; L62-F96 HydrophobicContact CD2-CE2 4.4Å; L62-F96 HydrophobicContact CD2-CZ 4.17Å; L62-F96 HydrophobicContact CG-CD1 4.5Å; L62-F96 WeakPolarHBondContact O-CD2 3.45Å; I66-F96 HydrophobicContact CB-CD2 3.86Å; I66-F96 HydrophobicContact CB-CE2 4.08Å; I66-F96 HydrophobicContact CG2-CD2 3.9Å; K92-F96 PolarHBondContact O-N 3.43Å; I93-F96 WeakPolarHBondContact O-CB 3.4Å; I93-F96 PolarHBondContact O-N 3.36Å; I93-F96 VanDerWaalsContact O-N 3.15Å; S94-F96 VanDerWaalsContact C-N 3.33Å; S94-F96 PolarHBondContact O-N 3.04Å; F96-Q98 PolarHBondContact O-N 2.66Å; F96-A99 CarbonylContact O-C 3.6Å; F96-A99 PolarHBondContact O-N 2.86Å; F96-A100 HydrophobicContact CZ-CB 4.33Å; F96-A100 WeakPolarHBondContact O-CB 3.32Å; F96-A100 PolarHBondContact O-N 2.96Å; F96-F111 HydrophobicContact CD1-CE1 4.42Å; F96-F111 HydrophobicContact CD1-CZ 4.35Å; F96-F111 AromaticContact CE1-CE1 3.88Å; F96-F111 HydrophobicContact CE1-CE1 3.88Å; F96-F111 HydrophobicContact CE1-CZ 4.24Å; F96-L129 HydrophobicContact CZ-CD2 4.06Å; F96-L132 HydrophobicContact CE2-CD2 3.91Å; F96-L132 HydrophobicContact CZ-CD2 4.04Å
97L96.2Very high93.8Very high18 Ų1848.9 Ų48.99%0.09427%0.268CS..Hα-helixtrans-63.2-43.2-178.7-62.6171.2000111.8I93 S94 A99 A100 E101 I110 F111I93-L97 HydrophobicContact CG2-CD1 4.19Å; I93-L97 HydrophobicContact CG2-CG 4.45Å; I93-L97 WeakPolarHBondContact O-CG 3.4Å; I93-L97 PolarHBondContact O-N 3.37Å; S94-L97 PolarHBondContact O-N 3.28Å; S94-L97 VanDerWaalsContact O-N 3.16Å; L97-A99 VanDerWaalsContact C-N 3.32Å; L97-A99 PolarHBondContact O-N 3.42Å; L97-A100 PolarHBondContact O-N 2.8Å; L97-E101 PolarHBondContact O-N 3.26Å; L97-I110 HydrophobicContact CB-CG2 4.13Å; L97-I110 HydrophobicContact CD2-CG2 3.72Å; L97-I110 HydrophobicContact CG-CG2 4.33Å; L97-F111 HydrophobicContact CD1-CD2 4.48Å; L97-F111 HydrophobicContact CD1-CE2 4.27Å; L97-F111 VanDerWaalsContact CD1-O 3.27Å; L97-F111 WeakPolarHBondContact CD1-O 3.3Å; L97-F111 HydrophobicContact CD2-CD1 3.82Å; L97-F111 HydrophobicContact CD2-CD2 4.1Å; L97-F111 HydrophobicContact CD2-CE1 3.6Å; L97-F111 HydrophobicContact CD2-CE2 3.87Å; L97-F111 HydrophobicContact CD2-CG 4.06Å; L97-F111 HydrophobicContact CD2-CZ 3.62Å; L97-F111 HydrophobicContact CG-CE2 4.47Å; L97-F111 HydrophobicContact CG-CZ 4.44Å
98Q95.6Very high93.9Very high125 Ų12547.1 Ų47.158%0.58427%0.27SS*.Hα-helixtrans-60.7-42.1174.2-69.7177.5-10.500111.9S94 F96 A102S94-Q98 WeakPolarHBondContact O-CG 3.46Å; S94-Q98 PolarHBondContact O-N 3.37Å; F96-Q98 PolarHBondContact O-N 2.66Å; Q98-A102 WeakPolarHBondContact O-CB 3.47Å; Q98-A102 PolarHBondContact O-N 3.47Å
99A95.3Very high94Very high6 Ų645.8 Ų45.85%0.0527%0.266CS..Hα-helixtrans-68.8-36.2177.400000112.4I66 P76 I77 Q95 F96 L97 A102 Y103I66-A99 HydrophobicContact CG1-CB 3.73Å; I66-A99 HydrophobicContact CG2-CB 4.19Å; P76-A99 HydrophobicContact CB-CB 3.83Å; P76-A99 HydrophobicContact CG-CB 3.79Å; I77-A99 HydrophobicContact CD1-CB 4.46Å; Q95-A99 WeakPolarHBondContact O-CB 3.24Å; Q95-A99 PolarHBondContact O-N 3.11Å; F96-A99 CarbonylContact O-C 3.6Å; F96-A99 PolarHBondContact O-N 2.86Å; L97-A99 VanDerWaalsContact C-N 3.32Å; L97-A99 PolarHBondContact O-N 3.42Å; A99-A102 PolarHBondContact O-N 3.22Å; A99-Y103 WeakPolarHBondContact O-CB 3.31Å; A99-Y103 PolarHBondContact O-N 3.19Å
100A95.3Very high94.2Very high0 Ų046.5 Ų46.50%027%0.271CS..Hα-helixtrans-67.3-41.2175.900000111.9F96 L97 Y103 G104 V105F96-A100 HydrophobicContact CZ-CB 4.33Å; F96-A100 WeakPolarHBondContact O-CB 3.32Å; F96-A100 PolarHBondContact O-N 2.96Å; L97-A100 PolarHBondContact O-N 2.8Å; A100-Y103 WeakPolarHBondContact O-CB 3.37Å; A100-Y103 PolarHBondContact O-N 2.93Å; A100-G104 PolarHBondContact O-N 3.06Å; A100-V105 HydrophobicContact CB-CG2 4.17Å; A100-V105 WeakPolarHBondContact O-CB 3.3Å; A100-V105 WeakPolarHBondContact O-CG2 3.5Å; A100-V105 PolarHBondContact O-N 3.04Å
101E95.3Very high94.3Very high101 Ų10144 Ų4447%0.47226%0.258SS..Hα-helixtrans-59.9-49.7171.5-169179.6-173.600110.9L97 Y103 G104 T107 I110L97-E101 PolarHBondContact O-N 3.26Å; E101-Y103 PolarHBondContact O-N 3.43Å; E101-G104 WeakPolarHBondContact O-CA 3.5Å; E101-G104 PolarHBondContact O-N 3.43Å; E101-T107 HydrophobicContact CG-CG2 4.18Å; E101-T107 WeakPolarHBondContact OE1-CG2 3.48Å; E101-I110 HydrophobicContact CB-CD1 3.54Å; E101-I110 HydrophobicContact CG-CD1 3.96Å
102A93.8Very high94.4Very high80 Ų8047 Ų4766%0.66127%0.272SS*.Hα-helixtrans-62.8-27.7176.800000113Q98 A99 G104Q98-A102 WeakPolarHBondContact O-CB 3.47Å; Q98-A102 PolarHBondContact O-N 3.47Å; A99-A102 PolarHBondContact O-N 3.22Å; A102-G104 PolarHBondContact O-N 3.43Å
103Y92.4Very high94.4Very high6 Ų648.2 Ų48.22%0.02428%0.28CS..Hα-helixtrans-71.4-20.5172.7-165.6-99.4000112.4I66 L69 Y70 A99 A100 E101 L132 L135 A136 K139I66-Y103 HydrophobicContact CD1-CD2 4.38Å; I66-Y103 HydrophobicContact CD1-CG 4.26Å; L69-Y103 HydrophobicContact CB-CE2 4.01Å; L69-Y103 HydrophobicContact CD1-CE1 4.45Å; Y70-Y103 HydrophobicContact CD2-CD2 4.44Å; Y70-Y103 AromaticContact CE2-CD2 3.61Å; Y70-Y103 HydrophobicContact CE2-CD2 3.61Å; Y70-Y103 HydrophobicContact CE2-CE2 4.21Å; Y70-Y103 AromaticContact CZ-CD2 3.72Å; A99-Y103 WeakPolarHBondContact O-CB 3.31Å; A99-Y103 PolarHBondContact O-N 3.19Å; A100-Y103 WeakPolarHBondContact O-CB 3.37Å; A100-Y103 PolarHBondContact O-N 2.93Å; E101-Y103 PolarHBondContact O-N 3.43Å; Y103-L132 HydrophobicContact CD1-CD1 3.49Å; Y103-L132 VanDerWaalsContact CD1-CD1 3.49Å; Y103-L132 HydrophobicContact CE1-CD1 4.01Å; Y103-L132 HydrophobicContact CG-CD1 4.07Å; Y103-L135 HydrophobicContact CD1-CB 4.27Å; Y103-L135 HydrophobicContact CE1-CB 4.05Å; Y103-A136 HydrophobicContact CE1-CB 4.27Å; Y103-A136 WeakPolarHBondContact OH-CA 3.42Å; Y103-K139 VanDerWaalsContact CD2-NZ 3.32Å; Y103-K139 HydrophobicContact CE1-CD 4.09Å; Y103-K139 HydrophobicContact CE2-CD 4.18Å; Y103-K139 WeakPolarHBondContact O-CE 3.36Å; Y103-K139 PolarHBondContact O-NZ 2.95Å
104G91.8Very high94.3Very high41 Ų4150.5 Ų50.542%0.42329%0.294SS..THydrogen-bonded Turntrans116.310.1175.700000114.5A100 E101 A102 T106 L135A100-G104 PolarHBondContact O-N 3.06Å; E101-G104 WeakPolarHBondContact O-CA 3.5Å; E101-G104 PolarHBondContact O-N 3.43Å; A102-G104 PolarHBondContact O-N 3.43Å; G104-T106 PolarHBondContact O-N 3Å; G104-L135 VanDerWaalsContact O-CD1 3.27Å; G104-L135 WeakPolarHBondContact O-CD1 3.47Å
105V94.1Very high94.3Very high4 Ų449.3 Ų49.32%0.02428%0.284CS..  trans-64.8130.9171.4-178.10000108.4A100 D109 I110 T128 A131 L132 L135A100-V105 HydrophobicContact CB-CG2 4.17Å; A100-V105 WeakPolarHBondContact O-CB 3.3Å; A100-V105 WeakPolarHBondContact O-CG2 3.5Å; A100-V105 PolarHBondContact O-N 3.04Å; V105-D109 HydrophobicContact CG1-CB 4.14Å; V105-I110 HydrophobicContact CB-CD1 4.43Å; V105-I110 HydrophobicContact CB-CG1 4.26Å; V105-I110 HydrophobicContact CG1-CD1 4.41Å; V105-I110 HydrophobicContact CG1-CG1 3.73Å; V105-T128 HydrophobicContact CG1-CG2 4.33Å; V105-A131 HydrophobicContact CG1-CB 4.06Å; V105-L132 HydrophobicContact CG2-CB 4Å; V105-L132 HydrophobicContact CG2-CD1 3.93Å; V105-L135 HydrophobicContact CB-CD1 4.29Å; V105-L135 HydrophobicContact CG2-CD1 3.77Å
106T93Very high94.2Very high67 Ų6746.4 Ų46.441%0.41127%0.27SS..  trans-67.6136.4-180-43.50000109.4G104 T108 D109 I110G104-T106 PolarHBondContact O-N 3Å; T106-T108 WeakPolarHBondContact CG2-OG1 3.48Å; T106-T108 PolarHBondContact O-N 3.46Å; T106-T108 VanDerWaalsContact O-N 3.07Å; T106-D109 WeakPolarHBondContact O-CA 3.23Å; T106-D109 WeakPolarHBondContact O-CB 3.29Å; T106-D109 PolarHBondContact O-N 2.88Å; T106-I110 PolarHBondContact O-N 2.77Å
107T92Very high94.1Very high89 Ų8949.4 Ų49.455%0.54628%0.282SS..G310 helixtrans-57.3-27.2-177.152.10000113.7E101 D109 I110E101-T107 HydrophobicContact CG-CG2 4.18Å; E101-T107 WeakPolarHBondContact OE1-CG2 3.48Å; T107-D109 PolarHBondContact O-N 3.29Å; T107-I110 PolarHBondContact O-N 3.03Å
108T92.1Very high93.8Very high114 Ų11452 Ų5270%0.69929%0.293SS*.G310 helixtrans-64.6-28.3173.8570000113.5T106T106-T108 WeakPolarHBondContact CG2-OG1 3.48Å; T106-T108 PolarHBondContact O-N 3.46Å; T106-T108 VanDerWaalsContact O-N 3.07Å
109D92.6Very high93.5Very high51 Ų5146.6 Ų46.627%0.27327%0.271SS..G310 helixtrans-94.1-7.2-178.9-64.8-19.8000111.7V105 T106 T107 T128 A131V105-D109 HydrophobicContact CG1-CB 4.14Å; T106-D109 WeakPolarHBondContact O-CA 3.23Å; T106-D109 WeakPolarHBondContact O-CB 3.29Å; T106-D109 PolarHBondContact O-N 2.88Å; T107-D109 PolarHBondContact O-N 3.29Å; D109-T128 VanDerWaalsContact O-CA 3.3Å; D109-T128 WeakPolarHBondContact O-CA 3.22Å; D109-T128 VanDerWaalsContact O-CB 3.3Å; D109-T128 WeakPolarHBondContact O-CB 3.26Å; D109-T128 PolarHBondContact O-N 3.04Å; D109-T128 PolarHBondContact O-OG1 3.15Å; D109-A131 HydrophobicContact CB-CB 4.14Å
110I95.6Very high93.2Very high37 Ų3748.8 Ų48.819%0.1928%0.28CS..PPolyproline II helixtrans-83.7124-178.7-66179.8000110L97 E101 V105 T106 T107L97-I110 HydrophobicContact CB-CG2 4.13Å; L97-I110 HydrophobicContact CD2-CG2 3.72Å; L97-I110 HydrophobicContact CG-CG2 4.33Å; E101-I110 HydrophobicContact CB-CD1 3.54Å; E101-I110 HydrophobicContact CG-CD1 3.96Å; V105-I110 HydrophobicContact CB-CD1 4.43Å; V105-I110 HydrophobicContact CB-CG1 4.26Å; V105-I110 HydrophobicContact CG1-CD1 4.41Å; V105-I110 HydrophobicContact CG1-CG1 3.73Å; T106-I110 PolarHBondContact O-N 2.77Å; T107-I110 PolarHBondContact O-N 3.03Å
111F96.4Very high93.1Very high4 Ų449.9 Ų49.92%0.01829%0.285CS..PPolyproline II helixtrans-74163.1174.473.8-99.3000112.2L62 I93 F96 L97 D115 L116 A124 V125 T128L62-F111 HydrophobicContact CD1-CZ 4.16Å; I93-F111 HydrophobicContact CG2-CE2 3.71Å; I93-F111 HydrophobicContact CG2-CZ 4.03Å; F96-F111 HydrophobicContact CD1-CE1 4.42Å; F96-F111 HydrophobicContact CD1-CZ 4.35Å; F96-F111 AromaticContact CE1-CE1 3.88Å; F96-F111 HydrophobicContact CE1-CE1 3.88Å; F96-F111 HydrophobicContact CE1-CZ 4.24Å; L97-F111 HydrophobicContact CD1-CD2 4.48Å; L97-F111 HydrophobicContact CD1-CE2 4.27Å; L97-F111 VanDerWaalsContact CD1-O 3.27Å; L97-F111 WeakPolarHBondContact CD1-O 3.3Å; L97-F111 HydrophobicContact CD2-CD1 3.82Å; L97-F111 HydrophobicContact CD2-CD2 4.1Å; L97-F111 HydrophobicContact CD2-CE1 3.6Å; L97-F111 HydrophobicContact CD2-CE2 3.87Å; L97-F111 HydrophobicContact CD2-CG 4.06Å; L97-F111 HydrophobicContact CD2-CZ 3.62Å; L97-F111 HydrophobicContact CG-CE2 4.47Å; L97-F111 HydrophobicContact CG-CZ 4.44Å; F111-D115 HydrophobicContact CB-CB 4.31Å; F111-D115 HydrophobicContact CD2-CB 4.4Å; F111-L116 HydrophobicContact CD2-CB 4.21Å; F111-L116 HydrophobicContact CE2-CB 3.63Å; F111-L116 HydrophobicContact CE2-CD2 4.05Å; F111-L116 HydrophobicContact CZ-CB 4.24Å; F111-L116 HydrophobicContact CZ-CD2 3.89Å; F111-A124 HydrophobicContact CB-CB 3.73Å; F111-V125 HydrophobicContact CB-CG2 4.32Å; F111-V125 HydrophobicContact CD1-CB 4.21Å; F111-V125 HydrophobicContact CD1-CG1 4.31Å; F111-V125 HydrophobicContact CD1-CG2 4.02Å; F111-V125 HydrophobicContact CD2-CG2 4.01Å; F111-V125 HydrophobicContact CE1-CB 4.45Å; F111-V125 HydrophobicContact CE1-CG1 4.06Å; F111-V125 HydrophobicContact CE1-CG2 4.31Å; F111-V125 HydrophobicContact CE2-CG2 4.32Å; F111-V125 HydrophobicContact CG-CG2 3.89Å; F111-V125 HydrophobicContact CZ-CG2 4.46Å; F111-T128 HydrophobicContact CD1-CG2 4.01Å; F111-T128 VanDerWaalsContact CD1-OG1 3.29Å; F111-T128 WeakPolarHBondContact CD1-OG1 3.12Å; F111-T128 HydrophobicContact CE1-CG2 4.37Å; F111-T128 PolarHBondContact N-OG1 3.07Å
112Q95.1Very high93.1Very high132 Ų13245.1 Ų45.162%0.61726%0.263SS*.PPolyproline II helixtrans-95.9150173.9-54.6-168.2-61.600111.3V114 D115Q112-V114 HydrophobicContact CB-CG2 4.08Å; Q112-V114 PolarHBondContact O-N 2.99Å; Q112-D115 WeakPolarHBondContact CB-OD2 3.4Å; Q112-D115 PolarHBondContact N-OD2 2.62Å; Q112-D115 WeakPolarHBondContact O-CA 3.47Å; Q112-D115 VanDerWaalsContact O-CB 3.26Å; Q112-D115 WeakPolarHBondContact O-CB 3.5Å; Q112-D115 PolarHBondContact O-N 2.89Å
113T94.6Very high93.1Very high31 Ų3141.4 Ų41.419%0.1923%0.232CC..Hα-helixtrans-49.7-34.5-179.1-54.80000114.4M90 I93 D115 W117M90-T113 HydrophobicContact CB-CG2 3.73Å; M90-T113 HydrophobicContact CG-CG2 3.8Å; I93-T113 HydrophobicContact CB-CG2 4.06Å; I93-T113 HydrophobicContact CD1-CG2 4.2Å; I93-T113 HydrophobicContact CG2-CG2 4.04Å; T113-D115 VanDerWaalsContact C-N 3.31Å; T113-D115 PolarHBondContact O-N 2.93Å; T113-W117 VanDerWaalsContact O-CB 3.24Å; T113-W117 WeakPolarHBondContact O-CB 2.9Å; T113-W117 PolarHBondContact O-N 3.42Å
114V92.5Very high93.2Very high48 Ų4841.4 Ų41.429%0.29123%0.234SC..Hα-helixtrans-68.5-26.9177.1-630000113.6Q112 L116 E118 G119 K120Q112-V114 HydrophobicContact CB-CG2 4.08Å; Q112-V114 PolarHBondContact O-N 2.99Å; V114-L116 VanDerWaalsContact C-N 3.32Å; V114-L116 PolarHBondContact O-N 2.97Å; V114-E118 WeakPolarHBondContact O-CA 3.37Å; V114-E118 WeakPolarHBondContact O-CB 3.19Å; V114-E118 PolarHBondContact O-N 3.29Å; V114-G119 PolarHBondContact O-N 2.99Å; V114-K120 HydrophobicContact CB-CD 4.44Å; V114-K120 HydrophobicContact CG2-CD 4.29Å
115D94Very high93.4Very high21 Ų2139.5 Ų39.511%0.11221%0.214CC..Hα-helixtrans-67.1-37.5-179.3-60.5-29.3000111.1F111 Q112 T113 G119 K120 D121F111-D115 HydrophobicContact CB-CB 4.31Å; F111-D115 HydrophobicContact CD2-CB 4.4Å; Q112-D115 WeakPolarHBondContact CB-OD2 3.4Å; Q112-D115 PolarHBondContact N-OD2 2.62Å; Q112-D115 WeakPolarHBondContact O-CA 3.47Å; Q112-D115 VanDerWaalsContact O-CB 3.26Å; Q112-D115 WeakPolarHBondContact O-CB 3.5Å; Q112-D115 PolarHBondContact O-N 2.89Å; T113-D115 VanDerWaalsContact C-N 3.31Å; T113-D115 PolarHBondContact O-N 2.93Å; D115-G119 CarbonylContact O-C 3.26Å; D115-G119 VanDerWaalsContact O-C 3.26Å; D115-G119 WeakPolarHBondContact O-CA 3.48Å; D115-G119 PolarHBondContact O-N 3.1Å; D115-K120 PolarHBondContact O-N 3.01Å; D115-K120 VanDerWaalsContact O-N 3.11Å; D115-D121 HydrophobicContact CB-CB 4.16Å
116L94.1Very high93.5Very high0 Ų039.4 Ų39.40%021%0.213CC..Hα-helixtrans-86.7-50.3174.4176.358.6000112.2Q53 L56 L62 I93 F111 V114 G119 M122 V125Q53-L116 HydrophobicContact CG-CD1 4.35Å; Q53-L116 VanDerWaalsContact CG-O 3.26Å; Q53-L116 WeakPolarHBondContact CG-O 3.33Å; Q53-L116 PolarHBondContact NE2-O 3.15Å; L56-L116 HydrophobicContact CB-CD1 3.85Å; L56-L116 HydrophobicContact CB-CD2 4.2Å; L62-L116 HydrophobicContact CD1-CD2 3.46Å; L62-L116 VanDerWaalsContact CD1-CD2 3.46Å; I93-L116 HydrophobicContact CD1-CD2 3.92Å; I93-L116 HydrophobicContact CD1-CG 4.28Å; I93-L116 HydrophobicContact CG1-CD2 4.09Å; I93-L116 HydrophobicContact CG2-CD2 4.36Å; F111-L116 HydrophobicContact CD2-CB 4.21Å; F111-L116 HydrophobicContact CE2-CB 3.63Å; F111-L116 HydrophobicContact CE2-CD2 4.05Å; F111-L116 HydrophobicContact CZ-CB 4.24Å; F111-L116 HydrophobicContact CZ-CD2 3.89Å; V114-L116 VanDerWaalsContact C-N 3.32Å; V114-L116 PolarHBondContact O-N 2.97Å; L116-G119 PolarHBondContact O-N 3.3Å; L116-M122 HydrophobicContact CD1-CE 4Å; L116-M122 HydrophobicContact CD1-SD 4.12Å; L116-V125 HydrophobicContact CB-CG2 3.9Å; L116-V125 HydrophobicContact CD1-CG1 4.42Å; L116-V125 HydrophobicContact CD1-CG2 4.32Å
117W93.4Very high93.6Very high62 Ų6240.9 Ų40.924%0.23521%0.211CC..Hα-helixtrans-71.3-41-170.9-166.187.3000112.4Q53 M57 A86 M90 I93 T113Q53-W117 PolarHBondContact NE2-O 3.14Å; M57-W117 HydrophobicContact CG-CG 4.35Å; A86-W117 HydrophobicContact CB-CH2 4.13Å; A86-W117 HydrophobicContact CB-CZ2 3.46Å; A86-W117 VanDerWaalsContact CB-CZ2 3.46Å; M90-W117 HydrophobicContact CE-CD2 3.32Å; M90-W117 HydrophobicContact CE-CE3 3.13Å; M90-W117 HydrophobicContact CE-CG 3.98Å; M90-W117 HydrophobicContact CE-CH2 3.85Å; M90-W117 HydrophobicContact CE-CZ2 4.04Å; M90-W117 HydrophobicContact CE-CZ3 3.41Å; M90-W117 VanDerWaalsContact CE-CZ3 3.41Å; M90-W117 HydrophobicContact CG-CD2 4.3Å; M90-W117 HydrophobicContact CG-CG 4.09Å; I93-W117 HydrophobicContact CD1-CB 4.21Å; T113-W117 VanDerWaalsContact O-CB 3.24Å; T113-W117 WeakPolarHBondContact O-CB 2.9Å; T113-W117 PolarHBondContact O-N 3.42Å
118E90.6Very high93.8Very high72 Ų7236.6 Ų36.634%0.33619%0.185SC..SBendtrans-92.6-9.6172.5-57.2-172.1149.500112.7V114 K120V114-E118 WeakPolarHBondContact O-CA 3.37Å; V114-E118 WeakPolarHBondContact O-CB 3.19Å; V114-E118 PolarHBondContact O-N 3.29Å; E118-K120 HydrophobicContact CB-CG 4.31Å; E118-K120 WeakPolarHBondContact OE2-CE 3.41Å; E118-K120 IonicContact OE2-NZ 3.78Å; E118-K120 PolarHBondContact OE2-NZ 2.98Å
119G90Very high94Very high12 Ų1231.2 Ų31.212%0.12415%0.152CC..  trans76.822.9176.800000114.6Q53 V114 D115 L116Q53-G119 VanDerWaalsContact NE2-N 3.1Å; V114-G119 PolarHBondContact O-N 2.99Å; D115-G119 CarbonylContact O-C 3.26Å; D115-G119 VanDerWaalsContact O-C 3.26Å; D115-G119 WeakPolarHBondContact O-CA 3.48Å; D115-G119 PolarHBondContact O-N 3.1Å; L116-G119 PolarHBondContact O-N 3.3Å
120K89.5Confident94.1Very high53 Ų5330.1 Ų30.123%0.2315%0.146CC..SBendtrans-65.1-46.6-175.5-68.3-177.5-178149.50113.5R4 Q15 V114 D115 E118R4-K120 VanDerWaalsContact NH1-CE 3.27Å; Q15-K120 PolarHBondContact NE2-O 3.31Å; V114-K120 HydrophobicContact CB-CD 4.44Å; V114-K120 HydrophobicContact CG2-CD 4.29Å; D115-K120 PolarHBondContact O-N 3.01Å; D115-K120 VanDerWaalsContact O-N 3.11Å; E118-K120 HydrophobicContact CB-CG 4.31Å; E118-K120 WeakPolarHBondContact OE2-CE 3.41Å; E118-K120 IonicContact OE2-NZ 3.78Å; E118-K120 PolarHBondContact OE2-NZ 2.98Å
121D93Very high94.1Very high22 Ų2228.7 Ų28.712%0.11814%0.14CC..  trans-136.279.3-179.6-171.6-6.7000110.5I18 D115 A123 A124 V125 R127I18-D121 HydrophobicContact CG2-CB 3.92Å; I18-D121 VanDerWaalsContact CG2-CG 3.42Å; I18-D121 VanDerWaalsContact CG2-OD1 3.22Å; I18-D121 WeakPolarHBondContact CG2-OD1 3.38Å; D115-D121 HydrophobicContact CB-CB 4.16Å; D121-A123 PolarHBondContact O-N 3.48Å; D121-A123 WeakPolarHBondContact OD1-CA 3.44Å; D121-A123 WeakPolarHBondContact OD1-CB 3.45Å; D121-A123 PolarHBondContact OD1-N 3.18Å; D121-A124 HydrophobicContact CB-CB 4.06Å; D121-A124 WeakPolarHBondContact O-CB 3.4Å; D121-A124 PolarHBondContact O-N 2.9Å; D121-A124 PolarHBondContact OD1-N 3.2Å; D121-A124 WeakPolarHBondContact OD2-CB 3.46Å; D121-V125 PolarHBondContact O-N 3.48Å; D121-R127 IonicContact OD2-NH2 3.41Å; D121-R127 PolarHBondContact OD2-NH2 3.43Å
122M93.8Very high94Very high1 Ų128.5 Ų28.51%0.00514%0.139CC..Hα-helixtrans-66.9-20.8173.7-67.5-57.6-60.800113Y22 K49 F52 Q53 L116 A124 V125 Q126Y22-M122 HydrophobicContact CD2-CB 3.81Å; Y22-M122 HydrophobicContact CE2-CB 3.75Å; K49-M122 HydrophobicContact CD-CB 4.37Å; K49-M122 HydrophobicContact CD-CG 4.34Å; K49-M122 HydrophobicContact CG-CB 4.08Å; K49-M122 HydrophobicContact CG-CG 3.9Å; F52-M122 HydrophobicContact CD1-CE 3.69Å; F52-M122 HydrophobicContact CE1-CE 4.16Å; Q53-M122 HydrophobicContact CB-CE 3.83Å; Q53-M122 HydrophobicContact CB-SD 3.91Å; Q53-M122 HydrophobicContact CG-CE 4.25Å; Q53-M122 HydrophobicContact CG-SD 3.77Å; L116-M122 HydrophobicContact CD1-CE 4Å; L116-M122 HydrophobicContact CD1-SD 4.12Å; M122-A124 VanDerWaalsContact C-N 3.32Å; M122-V125 HydrophobicContact CE-CB 4.39Å; M122-V125 HydrophobicContact CE-CG2 4.4Å; M122-V125 WeakPolarHBondContact O-CB 3.43Å; M122-V125 PolarHBondContact O-N 3.01Å; M122-V125 HydrophobicContact SD-CG2 4.2Å; M122-Q126 PolarHBondContact O-N 3.5Å; M122-Q126 VanDerWaalsContact O-N 3.08Å
123A94.3Very high94Very high2 Ų222.2 Ų22.22%0.01711%0.11CC..Hα-helixtrans-70.2-32.4174.200000110.7K21 D121 Q126 R127K21-A123 HydrophobicContact CB-CB 3.86Å; D121-A123 PolarHBondContact O-N 3.48Å; D121-A123 WeakPolarHBondContact OD1-CA 3.44Å; D121-A123 WeakPolarHBondContact OD1-CB 3.45Å; D121-A123 PolarHBondContact OD1-N 3.18Å; A123-Q126 PolarHBondContact O-N 3.08Å; A123-R127 VanDerWaalsContact C-NH1 3.25Å; A123-R127 VanDerWaalsContact O-CG 3.31Å; A123-R127 WeakPolarHBondContact O-CG 3.2Å; A123-R127 PolarHBondContact O-N 3.32Å; A123-R127 PolarHBondContact O-NH1 3.38Å
124A94.9Very high93.9Very high7 Ų721.4 Ų21.46%0.05811%0.105CC..Hα-helixtrans-62-44170.200000111.5F111 D121 M122 Q126 R127 T128F111-A124 HydrophobicContact CB-CB 3.73Å; D121-A124 HydrophobicContact CB-CB 4.06Å; D121-A124 WeakPolarHBondContact O-CB 3.4Å; D121-A124 PolarHBondContact O-N 2.9Å; D121-A124 PolarHBondContact OD1-N 3.2Å; D121-A124 WeakPolarHBondContact OD2-CB 3.46Å; M122-A124 VanDerWaalsContact C-N 3.32Å; A124-Q126 VanDerWaalsContact C-N 3.32Å; A124-Q126 PolarHBondContact O-N 3.14Å; A124-R127 VanDerWaalsContact CA-CZ 3.48Å; A124-R127 VanDerWaalsContact CA-NH2 3.3Å; A124-R127 WeakPolarHBondContact O-CB 3.35Å; A124-R127 PolarHBondContact O-N 3.41Å; A124-R127 VanDerWaalsContact O-N 3.14Å; A124-T128 PolarHBondContact O-N 2.83Å; A124-T128 PolarHBondContact O-OG1 3.49Å
125V95.8Very high93.9Very high0 Ų020.2 Ų20.20%010%0.097CC..Hα-helixtrans-58.3-46.1176.5-177.10000110.9L56 F111 L116 D121 M122 R127 T128 L129L56-V125 HydrophobicContact CD1-CG1 4.3Å; F111-V125 HydrophobicContact CB-CG2 4.32Å; F111-V125 HydrophobicContact CD1-CB 4.21Å; F111-V125 HydrophobicContact CD1-CG1 4.31Å; F111-V125 HydrophobicContact CD1-CG2 4.02Å; F111-V125 HydrophobicContact CD2-CG2 4.01Å; F111-V125 HydrophobicContact CE1-CB 4.45Å; F111-V125 HydrophobicContact CE1-CG1 4.06Å; F111-V125 HydrophobicContact CE1-CG2 4.31Å; F111-V125 HydrophobicContact CE2-CG2 4.32Å; F111-V125 HydrophobicContact CG-CG2 3.89Å; F111-V125 HydrophobicContact CZ-CG2 4.46Å; L116-V125 HydrophobicContact CB-CG2 3.9Å; L116-V125 HydrophobicContact CD1-CG1 4.42Å; L116-V125 HydrophobicContact CD1-CG2 4.32Å; D121-V125 PolarHBondContact O-N 3.48Å; M122-V125 HydrophobicContact CE-CB 4.39Å; M122-V125 HydrophobicContact CE-CG2 4.4Å; M122-V125 WeakPolarHBondContact O-CB 3.43Å; M122-V125 PolarHBondContact O-N 3.01Å; M122-V125 HydrophobicContact SD-CG2 4.2Å; V125-R127 PolarHBondContact O-N 3.48Å; V125-T128 PolarHBondContact O-N 2.91Å; V125-L129 HydrophobicContact CG1-CD1 4.09Å; V125-L129 WeakPolarHBondContact O-CG 3.49Å; V125-L129 PolarHBondContact O-N 2.52Å
126Q95.5Very high93.7Very high3 Ų319.2 Ų19.21%0.0149%0.092CC..Hα-helixtrans-57.9-46.9174.2-76.7-173.7-41.800112.2Y22 D23 L26 L30 M122 A123 A124 L129 M130Y22-Q126 HydrophobicContact CD2-CG 4.44Å; Y22-Q126 VanDerWaalsContact CD2-OE1 3.24Å; Y22-Q126 HydrophobicContact CE2-CG 4.01Å; D23-Q126 VanDerWaalsContact N-OE1 3.16Å; D23-Q126 PolarHBondContact O-NE2 3.34Å; L26-Q126 HydrophobicContact CD2-CB 3.62Å; L26-Q126 HydrophobicContact CD2-CG 3.77Å; L30-Q126 HydrophobicContact CD1-CB 4.18Å; L30-Q126 HydrophobicContact CD1-CG 4.04Å; M122-Q126 PolarHBondContact O-N 3.5Å; M122-Q126 VanDerWaalsContact O-N 3.08Å; A123-Q126 PolarHBondContact O-N 3.08Å; A124-Q126 VanDerWaalsContact C-N 3.32Å; A124-Q126 PolarHBondContact O-N 3.14Å; Q126-L129 PolarHBondContact O-N 3.31Å; Q126-M130 WeakPolarHBondContact O-CB 3.39Å; Q126-M130 VanDerWaalsContact O-CG 3.28Å; Q126-M130 WeakPolarHBondContact O-CG 3.24Å; Q126-M130 PolarHBondContact O-N 3.39Å
127R95.2Very high93.7Very high97 Ų9719.3 Ų19.337%0.3669%0.092SC..Hα-helixtrans-60.4-46.1177.8-72.5-173.3-55.9-88.65.9112.3D121 A123 A124 V125 L129 M130 A131D121-R127 IonicContact OD2-NH2 3.41Å; D121-R127 PolarHBondContact OD2-NH2 3.43Å; A123-R127 VanDerWaalsContact C-NH1 3.25Å; A123-R127 VanDerWaalsContact O-CG 3.31Å; A123-R127 WeakPolarHBondContact O-CG 3.2Å; A123-R127 PolarHBondContact O-N 3.32Å; A123-R127 PolarHBondContact O-NH1 3.38Å; A124-R127 VanDerWaalsContact CA-CZ 3.48Å; A124-R127 VanDerWaalsContact CA-NH2 3.3Å; A124-R127 WeakPolarHBondContact O-CB 3.35Å; A124-R127 PolarHBondContact O-N 3.41Å; A124-R127 VanDerWaalsContact O-N 3.14Å; V125-R127 PolarHBondContact O-N 3.48Å; R127-L129 PolarHBondContact O-N 3.42Å; R127-M130 PolarHBondContact O-N 3.07Å; R127-A131 WeakPolarHBondContact O-CB 3.49Å; R127-A131 PolarHBondContact O-N 3.16Å
128T96.6Very high93.4Very high0 Ų017.2 Ų17.20%09%0.086CC..Hα-helixtrans-61-45.1178.6-50.60000111.5V105 D109 F111 A124 V125 A131 L132V105-T128 HydrophobicContact CG1-CG2 4.33Å; D109-T128 VanDerWaalsContact O-CA 3.3Å; D109-T128 WeakPolarHBondContact O-CA 3.22Å; D109-T128 VanDerWaalsContact O-CB 3.3Å; D109-T128 WeakPolarHBondContact O-CB 3.26Å; D109-T128 PolarHBondContact O-N 3.04Å; D109-T128 PolarHBondContact O-OG1 3.15Å; F111-T128 HydrophobicContact CD1-CG2 4.01Å; F111-T128 VanDerWaalsContact CD1-OG1 3.29Å; F111-T128 WeakPolarHBondContact CD1-OG1 3.12Å; F111-T128 HydrophobicContact CE1-CG2 4.37Å; F111-T128 PolarHBondContact N-OG1 3.07Å; A124-T128 PolarHBondContact O-N 2.83Å; A124-T128 PolarHBondContact O-OG1 3.49Å; V125-T128 PolarHBondContact O-N 2.91Å; T128-A131 PolarHBondContact O-N 2.8Å; T128-L132 WeakPolarHBondContact O-CB 3.26Å; T128-L132 PolarHBondContact O-N 3.21Å
129L96.3Very high93.2Very high0 Ų018 Ų180%09%0.088CC..Hα-helixtrans-66.8-39.9179.7-69.1173.2000111.9L30 W33 I34 F52 L56 L62 L65 F96 V125 Q126 R127 L132 G133L30-L129 HydrophobicContact CD1-CB 3.87Å; L30-L129 HydrophobicContact CD1-CD1 4.03Å; L30-L129 HydrophobicContact CD2-CB 3.72Å; L30-L129 HydrophobicContact CG-CB 4.43Å; W33-L129 HydrophobicContact CZ3-CB 4.44Å; I34-L129 HydrophobicContact CD1-CD1 4.26Å; F52-L129 HydrophobicContact CZ-CD1 4.1Å; L56-L129 HydrophobicContact CD1-CD1 4.12Å; L62-L129 HydrophobicContact CD2-CD2 3.96Å; L65-L129 HydrophobicContact CD2-CD2 3.67Å; F96-L129 HydrophobicContact CZ-CD2 4.06Å; V125-L129 HydrophobicContact CG1-CD1 4.09Å; V125-L129 WeakPolarHBondContact O-CG 3.49Å; V125-L129 PolarHBondContact O-N 2.52Å; Q126-L129 PolarHBondContact O-N 3.31Å; R127-L129 PolarHBondContact O-N 3.42Å; L129-L132 PolarHBondContact O-N 2.85Å; L129-G133 PolarHBondContact O-N 3.38Å
130M95.4Very high92.9Very high28 Ų2821.7 Ų21.714%0.13811%0.105CC..Hα-helixtrans-63-41.4173.1-73.9-62.2-66.200112.5L26 L30 Q126 R127 L132 S134 F151L26-M130 HydrophobicContact CD1-CG 3.96Å; L26-M130 HydrophobicContact CD1-SD 4.43Å; L26-M130 HydrophobicContact CD2-CG 3.71Å; L26-M130 HydrophobicContact CD2-SD 4.09Å; L26-M130 HydrophobicContact CG-CG 3.99Å; L26-M130 HydrophobicContact CG-SD 4.03Å; L30-M130 HydrophobicContact CD2-CG 4.16Å; L30-M130 HydrophobicContact CD2-SD 3.74Å; L30-M130 HydrophobicContact CG-SD 4.26Å; Q126-M130 WeakPolarHBondContact O-CB 3.39Å; Q126-M130 VanDerWaalsContact O-CG 3.28Å; Q126-M130 WeakPolarHBondContact O-CG 3.24Å; Q126-M130 PolarHBondContact O-N 3.39Å; R127-M130 PolarHBondContact O-N 3.07Å; M130-L132 VanDerWaalsContact C-N 3.35Å; M130-S134 VanDerWaalsContact O-CB 3.3Å; M130-S134 WeakPolarHBondContact O-CB 3.41Å; M130-S134 PolarHBondContact O-N 3.31Å; M130-S134 PolarHBondContact O-OG 3.01Å; M130-F151 HydrophobicContact CE-CD1 4.06Å; M130-F151 HydrophobicContact CE-CE1 4.33Å; M130-F151 HydrophobicContact SD-CD1 4Å; M130-F151 HydrophobicContact SD-CE1 3.67Å
131A94.7Very high92.7Very high8 Ų822.4 Ų22.47%0.06611%0.111CC..Hα-helixtrans-64.5-41.1176.300000111.5V105 D109 R127 T128 L135V105-A131 HydrophobicContact CG1-CB 4.06Å; D109-A131 HydrophobicContact CB-CB 4.14Å; R127-A131 WeakPolarHBondContact O-CB 3.49Å; R127-A131 PolarHBondContact O-N 3.16Å; T128-A131 PolarHBondContact O-N 2.8Å; A131-L135 VanDerWaalsContact O-CG 3.31Å; A131-L135 WeakPolarHBondContact O-CG 3.43Å; A131-L135 PolarHBondContact O-N 3.43Å
132L95.1Very high92.3Very high0 Ų024.4 Ų24.40%014%0.137CC..Hα-helixtrans-63.4-49175.8-178.363000111.8W33 L65 I66 L69 F96 Y103 V105 T128 L129 M130 S134 L135 A136W33-L132 HydrophobicContact CH2-CB 4.46Å; W33-L132 HydrophobicContact CH2-CD2 4.28Å; W33-L132 HydrophobicContact CH2-CG 4.21Å; L65-L132 HydrophobicContact CD2-CD2 4.3Å; I66-L132 HydrophobicContact CD1-CD1 3.87Å; I66-L132 HydrophobicContact CD1-CD2 4.23Å; L69-L132 HydrophobicContact CD1-CD1 3.91Å; L69-L132 HydrophobicContact CD1-CD2 4.07Å; L69-L132 HydrophobicContact CD1-CG 3.87Å; F96-L132 HydrophobicContact CE2-CD2 3.91Å; F96-L132 HydrophobicContact CZ-CD2 4.04Å; Y103-L132 HydrophobicContact CD1-CD1 3.49Å; Y103-L132 VanDerWaalsContact CD1-CD1 3.49Å; Y103-L132 HydrophobicContact CE1-CD1 4.01Å; Y103-L132 HydrophobicContact CG-CD1 4.07Å; V105-L132 HydrophobicContact CG2-CB 4Å; V105-L132 HydrophobicContact CG2-CD1 3.93Å; T128-L132 WeakPolarHBondContact O-CB 3.26Å; T128-L132 PolarHBondContact O-N 3.21Å; L129-L132 PolarHBondContact O-N 2.85Å; M130-L132 VanDerWaalsContact C-N 3.35Å; L132-S134 PolarHBondContact O-N 2.83Å; L132-L135 WeakPolarHBondContact O-CB 3.44Å; L132-L135 PolarHBondContact O-N 3.49Å; L132-A136 PolarHBondContact O-N 3.45Å
133G93.9Very high92Very high0 Ų026.8 Ų26.80%015%0.149CC..Hα-helixtrans-62.9-42.3178.200000112.6L129 L135 A136 V137L129-G133 PolarHBondContact O-N 3.38Å; G133-L135 VanDerWaalsContact C-N 3.32Å; G133-L135 PolarHBondContact O-N 3.19Å; G133-A136 WeakPolarHBondContact O-CB 3.27Å; G133-A136 PolarHBondContact O-N 3.01Å; G133-A136 VanDerWaalsContact O-N 3.15Å; G133-V137 WeakPolarHBondContact O-CG2 3.46Å; G133-V137 PolarHBondContact O-N 3.45Å
134S93.3Very high91.8Very high13 Ų1328.2 Ų28.29%0.09115%0.154CC..Hα-helixtrans-59.1-42.1174.2-60.20000112M130 L132 T138 H152M130-S134 VanDerWaalsContact O-CB 3.3Å; M130-S134 WeakPolarHBondContact O-CB 3.41Å; M130-S134 PolarHBondContact O-N 3.31Å; M130-S134 PolarHBondContact O-OG 3.01Å; L132-S134 PolarHBondContact O-N 2.83Å; S134-T138 WeakPolarHBondContact O-CB 3.48Å; S134-T138 PolarHBondContact O-N 3.4Å; S134-T138 VanDerWaalsContact O-N 3.08Å; S134-T138 PolarHBondContact O-OG1 3.15Å; S134-H152 WeakPolarHBondContact CB-O 3.46Å; S134-H152 PolarHBondContact OG-O 2.99Å
135L91.9Very high91.5Very high24 Ų2433.1 Ų33.113%0.12617%0.174CC..Hα-helixtrans-65.9-41.5175.2-76.2165.7000112.1Y103 G104 V105 A131 L132 G133 T138 K139 K154Y103-L135 HydrophobicContact CD1-CB 4.27Å; Y103-L135 HydrophobicContact CE1-CB 4.05Å; G104-L135 VanDerWaalsContact O-CD1 3.27Å; G104-L135 WeakPolarHBondContact O-CD1 3.47Å; V105-L135 HydrophobicContact CB-CD1 4.29Å; V105-L135 HydrophobicContact CG2-CD1 3.77Å; A131-L135 VanDerWaalsContact O-CG 3.31Å; A131-L135 WeakPolarHBondContact O-CG 3.43Å; A131-L135 PolarHBondContact O-N 3.43Å; L132-L135 WeakPolarHBondContact O-CB 3.44Å; L132-L135 PolarHBondContact O-N 3.49Å; G133-L135 VanDerWaalsContact C-N 3.32Å; G133-L135 PolarHBondContact O-N 3.19Å; L135-T138 WeakPolarHBondContact O-CB 3.29Å; L135-T138 PolarHBondContact O-N 3.01Å; L135-T138 VanDerWaalsContact O-N 3.15Å; L135-K139 PolarHBondContact O-N 3.16Å; L135-K154 HydrophobicContact CD2-CD 3.98Å; L135-K154 HydrophobicContact CG-CD 4.26Å
136A91.3Very high91.1Very high0 Ų035 Ų350%019%0.193CC..Hα-helixtrans-61.4-45.8177.900000112.1L69 Y103 L132 G133 T138 K139 Y144L69-A136 HydrophobicContact CD1-CB 4.3Å; L69-A136 HydrophobicContact CD2-CB 3.68Å; Y103-A136 HydrophobicContact CE1-CB 4.27Å; Y103-A136 WeakPolarHBondContact OH-CA 3.42Å; L132-A136 PolarHBondContact O-N 3.45Å; G133-A136 WeakPolarHBondContact O-CB 3.27Å; G133-A136 PolarHBondContact O-N 3.01Å; G133-A136 VanDerWaalsContact O-N 3.15Å; A136-T138 PolarHBondContact O-N 3.3Å; A136-K139 PolarHBondContact O-N 3.2Å; A136-Y144 HydrophobicContact CB-CD2 3.77Å
137V92.3Very high90.8Very high1 Ų138.3 Ų38.31%0.00621%0.211CC..Hα-helixtrans-64-31.3175.21780000111.9G133 Y144 R148 F151 R153G133-V137 WeakPolarHBondContact O-CG2 3.46Å; G133-V137 PolarHBondContact O-N 3.45Å; V137-Y144 HydrophobicContact CG2-CD1 4.1Å; V137-Y144 HydrophobicContact CG2-CD2 3.78Å; V137-Y144 HydrophobicContact CG2-CE1 3.83Å; V137-Y144 HydrophobicContact CG2-CE2 3.46Å; V137-Y144 VanDerWaalsContact CG2-CE2 3.46Å; V137-Y144 HydrophobicContact CG2-CG 4.08Å; V137-R148 HydrophobicContact CG1-CB 4.4Å; V137-R148 PolarHBondContact O-NH2 3.43Å; V137-F151 HydrophobicContact CG2-CB 4.03Å; V137-F151 HydrophobicContact CG2-CD2 4.08Å; V137-F151 HydrophobicContact CG2-CG 4.44Å; V137-R153 HydrophobicContact CG1-CG 3.89Å
138T89.1Confident90.3Very high18 Ų1838.1 Ų38.111%0.1121%0.21CC..Hα-helixtrans-75.6-36.3-179.7-55.50000112.7S134 L135 A136 D140 R153 K154 Q156S134-T138 WeakPolarHBondContact O-CB 3.48Å; S134-T138 PolarHBondContact O-N 3.4Å; S134-T138 VanDerWaalsContact O-N 3.08Å; S134-T138 PolarHBondContact O-OG1 3.15Å; L135-T138 WeakPolarHBondContact O-CB 3.29Å; L135-T138 PolarHBondContact O-N 3.01Å; L135-T138 VanDerWaalsContact O-N 3.15Å; A136-T138 PolarHBondContact O-N 3.3Å; T138-D140 VanDerWaalsContact C-N 3.31Å; T138-R153 WeakPolarHBondContact OG1-CA 3.44Å; T138-K154 HydrophobicContact CG2-CB 4.35Å; T138-K154 VanDerWaalsContact CG2-O 3.25Å; T138-K154 WeakPolarHBondContact CG2-O 3.29Å; T138-K154 PolarHBondContact OG1-N 3.3Å; T138-Q156 HydrophobicContact CG2-CG 3.74Å
139K86Confident89.9Confident89 Ų8944.6 Ų44.639%0.38725%0.245SC..Hα-helixtrans-68.1-31179.4-77.6-175.4-178175.40113Y103 L135 A136 D141Y103-K139 VanDerWaalsContact CD2-NZ 3.32Å; Y103-K139 HydrophobicContact CE1-CD 4.09Å; Y103-K139 HydrophobicContact CE2-CD 4.18Å; Y103-K139 WeakPolarHBondContact O-CE 3.36Å; Y103-K139 PolarHBondContact O-NZ 2.95Å; L135-K139 PolarHBondContact O-N 3.16Å; A136-K139 PolarHBondContact O-N 3.2Å; K139-D141 PolarHBondContact O-N 3.47Å; K139-D141 VanDerWaalsContact O-N 3.17Å
140D82.5Confident89.6Confident90 Ų9047.3 Ų47.348%0.48126%0.255SS..  trans51.138.5175.8-151.521.6000113.4T138 G142 R148 R153T138-D140 VanDerWaalsContact C-N 3.31Å; D140-G142 VanDerWaalsContact C-N 3.28Å; D140-G142 PolarHBondContact O-N 2.95Å; D140-R148 VanDerWaalsContact CG-NH2 3.26Å; D140-R148 IonicContact OD1-CZ 3.2Å; D140-R148 IonicContact OD1-NH1 3.22Å; D140-R148 PolarHBondContact OD1-NH1 2.93Å; D140-R148 IonicContact OD1-NH2 3.23Å; D140-R148 PolarHBondContact OD1-NH2 3.36Å; D140-R148 IonicContact OD2-NH2 2.66Å; D140-R153 IonicContact OD2-NH1 2.7Å
141D84.9Confident89.4Confident67 Ų6746.3 Ų46.336%0.35825%0.25SS..  trans-78.7-10.6-178.553.111.4000113.7K139 Q143K139-D141 PolarHBondContact O-N 3.47Å; K139-D141 VanDerWaalsContact O-N 3.17Å; D141-Q143 VanDerWaalsContact C-OE1 3.26Å; D141-Q143 PolarHBondContact O-OE1 3.23Å; D141-Q143 PolarHBondContact OD1-N 3.03Å
142G84.9Confident89.1Confident64 Ų6452.5 Ų52.566%0.6628%0.278SS*.SBendtrans89.64.9-176.800000114D140D140-G142 VanDerWaalsContact C-N 3.28Å; D140-G142 PolarHBondContact O-N 2.95Å
143Q88.8Confident88.5Confident52 Ų5259.5 Ų59.524%0.24330%0.304CS..  trans-92.1-20.6177.6-87.659.434.900112.8Q37 P71 D141Q37-Q143 PolarHBondContact NE2-O 3.05Å; P71-Q143 HydrophobicContact CG-CG 4.5Å; D141-Q143 VanDerWaalsContact C-OE1 3.26Å; D141-Q143 PolarHBondContact O-OE1 3.23Å; D141-Q143 PolarHBondContact OD1-N 3.03Å
144Y90.4Very high87.9Confident32 Ų3263.1 Ų63.113%0.12532%0.319CS..  trans-65.7136.1172.9-178.2-91.3000111.6W33 A136 V137 D147 R148 F151W33-Y144 AromaticContact CD1-CE2 3.82Å; W33-Y144 AromaticContact CD1-CZ 3.99Å; W33-Y144 HydrophobicContact CZ2-CE2 4.47Å; W33-Y144 AromaticContact NE1-CD2 3.92Å; W33-Y144 AromaticContact NE1-CE2 3.19Å; W33-Y144 AromaticContact NE1-CZ 3.82Å; A136-Y144 HydrophobicContact CB-CD2 3.77Å; V137-Y144 HydrophobicContact CG2-CD1 4.1Å; V137-Y144 HydrophobicContact CG2-CD2 3.78Å; V137-Y144 HydrophobicContact CG2-CE1 3.83Å; V137-Y144 HydrophobicContact CG2-CE2 3.46Å; V137-Y144 VanDerWaalsContact CG2-CE2 3.46Å; V137-Y144 HydrophobicContact CG2-CG 4.08Å; Y144-D147 PolarHBondContact OH-O 3.07Å; Y144-R148 HydrophobicContact CE1-CG 4.21Å; Y144-F151 AromaticContact CE2-CD2 3.95Å; Y144-F151 HydrophobicContact CE2-CD2 3.95Å; Y144-F151 AromaticContact CE2-CE2 4Å; Y144-F151 HydrophobicContact CE2-CE2 4Å; Y144-F151 AromaticContact CZ-CD2 3.93Å; Y144-F151 WeakPolarHBondContact OH-CD2 3.43Å; Y144-F151 WeakPolarHBondContact OH-CE2 3.35Å
145K88.5Confident86.9Confident109 Ų10967.5 Ų67.547%0.47436%0.357SS..  trans-132.1145.5176.7-59.2171.4-175.7170.70109.7Q37Q37-K145 PolarHBondContact OE1-O 3.25Å
146G87.3Confident85.7Confident40 Ų4073.2 Ų73.241%0.41238%0.383SS..SBendtrans110.4-175.2-176.600000112
147D87.4Confident84.7Confident73 Ų7377 Ų7739%0.3942%0.422SS..  trans-71.2134.1179-163.2-23.9000110.2Y144 D149 W150Y144-D147 PolarHBondContact OH-O 3.07Å; D147-D149 VanDerWaalsContact C-N 3.3Å; D147-D149 WeakPolarHBondContact OD1-CB 3.35Å; D147-D149 PolarHBondContact OD1-N 3.06Å; D147-W150 HydrophobicContact CB-CD2 3.6Å; D147-W150 VanDerWaalsContact CB-CE2 3.47Å; D147-W150 HydrophobicContact CB-CE3 4Å; D147-W150 HydrophobicContact CB-CG 4.01Å; D147-W150 HydrophobicContact CB-CH2 4.2Å; D147-W150 HydrophobicContact CB-CZ2 3.8Å; D147-W150 HydrophobicContact CB-CZ3 4.27Å
148R86.4Confident83.7Confident93 Ų9385.9 Ų85.935%0.35146%0.457SS..G310 helixtrans-77.4-21.2178.5-58.4-176.681.2148.39.7111.3V137 D140 Y144 W150 F151 R153V137-R148 HydrophobicContact CG1-CB 4.4Å; V137-R148 PolarHBondContact O-NH2 3.43Å; D140-R148 VanDerWaalsContact CG-NH2 3.26Å; D140-R148 IonicContact OD1-CZ 3.2Å; D140-R148 IonicContact OD1-NH1 3.22Å; D140-R148 PolarHBondContact OD1-NH1 2.93Å; D140-R148 IonicContact OD1-NH2 3.23Å; D140-R148 PolarHBondContact OD1-NH2 3.36Å; D140-R148 IonicContact OD2-NH2 2.66Å; Y144-R148 HydrophobicContact CE1-CG 4.21Å; R148-W150 PolarHBondContact O-N 2.81Å; R148-F151 PolarHBondContact O-N 3.39Å; R148-R153 VanDerWaalsContact CZ-NH2 3.26Å
149D88.2Confident82.9Confident135 Ų13595.7 Ų95.772%0.72249%0.492SS*.G310 helixtrans-73.3-13179.8-69.2-21.4000112.7D147 F151D147-D149 VanDerWaalsContact C-N 3.3Å; D147-D149 WeakPolarHBondContact OD1-CB 3.35Å; D147-D149 PolarHBondContact OD1-N 3.06Å; D149-F151 VanDerWaalsContact C-N 3.25Å; D149-F151 PolarHBondContact O-N 3.32Å
150W89.5Confident82.5Confident57 Ų5799.9 Ų99.922%0.21651%0.505CS..G310 helixtrans-65.8-27.4173.7-66.8-18.4000113.2R29 D32 W33 A36 D147 R148R29-W150 VanDerWaalsContact CD-O 3.29Å; R29-W150 WeakPolarHBondContact CD-O 3.32Å; R29-W150 HydrophobicContact CG-CB 3.84Å; R29-W150 HydrophobicContact CG-CD2 4.44Å; R29-W150 HydrophobicContact CG-CG 3.76Å; R29-W150 PolarHBondContact NH1-O 3.01Å; D32-W150 HydrophobicContact CB-CH2 4.06Å; D32-W150 HydrophobicContact CB-CZ2 4.09Å; W33-W150 HydrophobicContact CB-CE3 3.76Å; W33-W150 HydrophobicContact CB-CZ3 4Å; W33-W150 HydrophobicContact CG-CE3 4.36Å; A36-W150 HydrophobicContact CB-CH2 4.42Å; A36-W150 HydrophobicContact CB-CZ3 4.19Å; D147-W150 HydrophobicContact CB-CD2 3.6Å; D147-W150 VanDerWaalsContact CB-CE2 3.47Å; D147-W150 HydrophobicContact CB-CE3 4Å; D147-W150 HydrophobicContact CB-CG 4.01Å; D147-W150 HydrophobicContact CB-CH2 4.2Å; D147-W150 HydrophobicContact CB-CZ2 3.8Å; D147-W150 HydrophobicContact CB-CZ3 4.27Å; R148-W150 PolarHBondContact O-N 2.81Å
151F91.9Very high82.5Confident7 Ų7103.8 Ų103.83%0.03152%0.521CS..SBendtrans-128.4149-176.6-54.3-81.6000112.3L30 W33 M130 V137 Y144 R148 D149L30-F151 HydrophobicContact CD2-CE1 4.15Å; L30-F151 HydrophobicContact CD2-CZ 4.36Å; W33-F151 HydrophobicContact CB-CE2 4Å; W33-F151 HydrophobicContact CB-CZ 3.85Å; W33-F151 AromaticContact CD1-CE2 3.57Å; W33-F151 HydrophobicContact CD2-CE1 4.36Å; W33-F151 AromaticContact CD2-CE2 3.63Å; W33-F151 HydrophobicContact CD2-CE2 3.63Å; W33-F151 AromaticContact CD2-CZ 3.27Å; W33-F151 HydrophobicContact CD2-CZ 3.27Å; W33-F151 AromaticContact CE2-CE2 3.83Å; W33-F151 AromaticContact CE2-CZ 3.82Å; W33-F151 HydrophobicContact CE3-CE1 4.22Å; W33-F151 HydrophobicContact CE3-CE2 4.29Å; W33-F151 AromaticContact CE3-CZ 3.48Å; W33-F151 HydrophobicContact CE3-CZ 3.48Å; W33-F151 VanDerWaalsContact CE3-CZ 3.48Å; W33-F151 AromaticContact CG-CE2 3.44Å; W33-F151 HydrophobicContact CG-CE2 3.44Å; W33-F151 VanDerWaalsContact CG-CE2 3.44Å; W33-F151 AromaticContact CG-CZ 3.43Å; W33-F151 HydrophobicContact CG-CZ 3.43Å; W33-F151 VanDerWaalsContact CG-CZ 3.43Å; W33-F151 HydrophobicContact CZ2-CZ 4.44Å; W33-F151 HydrophobicContact CZ3-CZ 4.12Å; W33-F151 AromaticContact NE1-CE2 3.81Å; M130-F151 HydrophobicContact CE-CD1 4.06Å; M130-F151 HydrophobicContact CE-CE1 4.33Å; M130-F151 HydrophobicContact SD-CD1 4Å; M130-F151 HydrophobicContact SD-CE1 3.67Å; V137-F151 HydrophobicContact CG2-CB 4.03Å; V137-F151 HydrophobicContact CG2-CD2 4.08Å; V137-F151 HydrophobicContact CG2-CG 4.44Å; Y144-F151 AromaticContact CE2-CD2 3.95Å; Y144-F151 HydrophobicContact CE2-CD2 3.95Å; Y144-F151 AromaticContact CE2-CE2 4Å; Y144-F151 HydrophobicContact CE2-CE2 4Å; Y144-F151 AromaticContact CZ-CD2 3.93Å; Y144-F151 WeakPolarHBondContact OH-CD2 3.43Å; Y144-F151 WeakPolarHBondContact OH-CE2 3.35Å; R148-F151 PolarHBondContact O-N 3.39Å; D149-F151 VanDerWaalsContact C-N 3.25Å; D149-F151 PolarHBondContact O-N 3.32Å
152H86.9Confident82.6Confident139 Ų139106.5 Ų106.564%0.64453%0.529SS*.PPolyproline II helixtrans-87.3136.4174.8-53.9-69.2000109.9S134 K154S134-H152 WeakPolarHBondContact CB-O 3.46Å; S134-H152 PolarHBondContact OG-O 2.99Å; H152-K154 PolarHBondContact O-N 3.11Å
153R83.8Confident82.7Confident147 Ų147107.3 Ų107.356%0.55552%0.522SS*.PPolyproline II helixtrans-66126.5169.6-71.4-174.5-168.5-138.58.1109.2V137 T138 D140 R148V137-R153 HydrophobicContact CG1-CG 3.89Å; T138-R153 WeakPolarHBondContact OG1-CA 3.44Å; D140-R153 IonicContact OD2-NH1 2.7Å; R148-R153 VanDerWaalsContact CZ-NH2 3.26Å
154K80.6Confident82.7Confident75 Ų75113.1 Ų113.133%0.32655%0.549SS..PPolyproline II helixtrans-70.5136.5169.8-70.4-162.4175.3-170.50108.6L135 T138 H152 Q156L135-K154 HydrophobicContact CD2-CD 3.98Å; L135-K154 HydrophobicContact CG-CD 4.26Å; T138-K154 HydrophobicContact CG2-CB 4.35Å; T138-K154 VanDerWaalsContact CG2-O 3.25Å; T138-K154 WeakPolarHBondContact CG2-O 3.29Å; T138-K154 PolarHBondContact OG1-N 3.3Å; H152-K154 PolarHBondContact O-N 3.11Å; K154-Q156 PolarHBondContact O-N 3.17Å
155A72.8Confident82.4Confident106 Ų106115.6 Ų115.688%0.87656%0.561SS**PPolyproline II helixtrans-64.3120.9174.300000109.4
156Q66.1Low82.3Confident143 Ų143115.2 Ų115.267%0.66856%0.561SS**PPolyproline II helixtrans-87127170.9-67.7-166.9-14.500109.1T138 K154 Y158T138-Q156 HydrophobicContact CG2-CG 3.74Å; K154-Q156 PolarHBondContact O-N 3.17Å; Q156-Y158 PolarHBondContact O-N 3.24Å
157G69.6Low82.2Confident80 Ų80117.7 Ų117.783%0.82557%0.565SS**  trans-66.6113.4174.500000110R159G157-R159 PolarHBondContact O-N 2.91Å
158Y71.4Confident82.1Confident188 Ų188121.5 Ų121.574%0.73757%0.573SS**  trans-87.292171.6-173.4-113.3000109.2Q156 R160Q156-Y158 PolarHBondContact O-N 3.24Å; Y158-R160 HydrophobicContact CD1-CG 3.42Å; Y158-R160 VanDerWaalsContact CD1-CG 3.42Å; Y158-R160 HydrophobicContact CE1-CG 3.31Å; Y158-R160 PolarHBondContact O-N 3.49Å; Y158-R160 VanDerWaalsContact O-N 3.14Å
159R74Confident82Confident224 Ų224122.3 Ų122.385%0.84558%0.581SS**  trans-74.3104.7174.3-160.9172.9-172.6164.70.4108.1G157 E161G157-R159 PolarHBondContact O-N 2.91Å; R159-E161 PolarHBondContact O-N 3.47Å
160R76.1Confident81.6Confident176 Ų176118 Ų11866%0.66457%0.569SS**  trans-75.5115.1174.4-70.3178.7-176178.82.5108.4Y158 F162Y158-R160 HydrophobicContact CD1-CG 3.42Å; Y158-R160 VanDerWaalsContact CD1-CG 3.42Å; Y158-R160 HydrophobicContact CE1-CG 3.31Å; Y158-R160 PolarHBondContact O-N 3.49Å; Y158-R160 VanDerWaalsContact O-N 3.14Å; R160-F162 HydrophobicContact CB-CE2 4.39Å; R160-F162 HydrophobicContact CB-CZ 4.35Å
161E83.1Confident81.1Confident173 Ų173123 Ų12381%0.80859%0.594SS**PPolyproline II helixtrans-89.9123.5167.8-63.9-174.2168.400107.8R159R159-E161 PolarHBondContact O-N 3.47Å
162F86.3Confident80.4Confident124 Ų124127.1 Ų127.154%0.54462%0.624SS.*PPolyproline II helixtrans-93143.6172.9-62.6-78.4000108.4R160 Q166 L167R160-F162 HydrophobicContact CB-CE2 4.39Å; R160-F162 HydrophobicContact CB-CZ 4.35Å; F162-Q166 HydrophobicContact CB-CB 4.28Å; F162-L167 HydrophobicContact CB-CD2 3.9Å; F162-L167 HydrophobicContact CB-CG 3.95Å; F162-L167 HydrophobicContact CD2-CD2 4.4Å; F162-L167 HydrophobicContact CG-CD2 4.44Å
163T88.9Confident79.6Confident81 Ų81127.1 Ų127.150%0.49763%0.628SS.*PPolyproline II helixtrans-66.1154.2173.664.70000110.2E165 Q166 L167T163-E165 PolarHBondContact O-N 2.77Å; T163-Q166 VanDerWaalsContact N-OE1 3.09Å; T163-Q166 WeakPolarHBondContact O-CB 3.28Å; T163-Q166 PolarHBondContact O-N 2.79Å; T163-Q166 VanDerWaalsContact OG1-CG 3.3Å; T163-Q166 WeakPolarHBondContact OG1-CG 2.88Å; T163-Q166 PolarHBondContact OG1-N 3.31Å; T163-Q166 PolarHBondContact OG1-OE1 3.45Å; T163-L167 PolarHBondContact O-N 2.93Å
164E86.8Confident78.7Confident174 Ų174126.8 Ų126.881%0.81364%0.636SS**Hα-helixtrans-55.7-36.8175.8-74.2-169.1156.100111.9L167 R168E164-L167 PolarHBondContact O-N 2.97Å; E164-R168 WeakPolarHBondContact O-CB 3.5Å; E164-R168 PolarHBondContact O-N 3.34Å
165E85.9Confident78Confident83 Ų83124.9 Ų124.939%0.38864%0.638SS.*Hα-helixtrans-65.3-40.7176.9-173.858.4-156.800112.1T163 R168 Q169T163-E165 PolarHBondContact O-N 2.77Å; E165-R168 VanDerWaalsContact CD-NH2 3.33Å; E165-R168 PolarHBondContact O-N 2.93Å; E165-R168 IonicContact OE1-CZ 3.91Å; E165-R168 IonicContact OE1-NE 3.36Å; E165-R168 IonicContact OE1-NH2 3.57Å; E165-R168 PolarHBondContact OE1-NH2 2.76Å; E165-R168 IonicContact OE2-CZ 2.86Å; E165-R168 VanDerWaalsContact OE2-CZ 3.23Å; E165-R168 IonicContact OE2-NE 3.89Å; E165-R168 PolarHBondContact OE2-NE 3.07Å; E165-R168 IonicContact OE2-NH2 2.8Å; E165-R168 PolarHBondContact OE2-NH2 2.9Å; E165-Q169 VanDerWaalsContact O-CG 3.3Å; E165-Q169 WeakPolarHBondContact O-CG 3.39Å; E165-Q169 PolarHBondContact O-N 3.28Å; E165-Q169 PolarHBondContact OE1-NE2 2.88Å
166Q84.8Confident77.6Confident101 Ų101128.9 Ų128.947%0.47264%0.644SS.*Hα-helixtrans-64.1-40.9174.1-77.6173.3-28.900111.8F162 T163 R168 Q169 G170F162-Q166 HydrophobicContact CB-CB 4.28Å; T163-Q166 VanDerWaalsContact N-OE1 3.09Å; T163-Q166 WeakPolarHBondContact O-CB 3.28Å; T163-Q166 PolarHBondContact O-N 2.79Å; T163-Q166 VanDerWaalsContact OG1-CG 3.3Å; T163-Q166 WeakPolarHBondContact OG1-CG 2.88Å; T163-Q166 PolarHBondContact OG1-N 3.31Å; T163-Q166 PolarHBondContact OG1-OE1 3.45Å; Q166-R168 VanDerWaalsContact C-N 3.35Å; Q166-Q169 PolarHBondContact O-N 3.18Å; Q166-G170 PolarHBondContact O-N 3.45Å
167L86.8Confident77.2Confident93 Ų93131.2 Ų131.249%0.48766%0.655SS.*Hα-helixtrans-64-41175.9-67.8173.6000111.3F162 T163 E164 G170 Q171F162-L167 HydrophobicContact CB-CD2 3.9Å; F162-L167 HydrophobicContact CB-CG 3.95Å; F162-L167 HydrophobicContact CD2-CD2 4.4Å; F162-L167 HydrophobicContact CG-CD2 4.44Å; T163-L167 PolarHBondContact O-N 2.93Å; E164-L167 PolarHBondContact O-N 2.97Å; L167-G170 PolarHBondContact O-N 2.98Å; L167-Q171 PolarHBondContact O-N 3.21Å
168R84.6Confident76.7Confident152 Ų152135 Ų13557%0.57465%0.653SS**Hα-helixtrans-66.2-40.7177.2-166.1179.8711573112.3E164 E165 Q166 G170 Q171E164-R168 WeakPolarHBondContact O-CB 3.5Å; E164-R168 PolarHBondContact O-N 3.34Å; E165-R168 VanDerWaalsContact CD-NH2 3.33Å; E165-R168 PolarHBondContact O-N 2.93Å; E165-R168 IonicContact OE1-CZ 3.91Å; E165-R168 IonicContact OE1-NE 3.36Å; E165-R168 IonicContact OE1-NH2 3.57Å; E165-R168 PolarHBondContact OE1-NH2 2.76Å; E165-R168 IonicContact OE2-CZ 2.86Å; E165-R168 VanDerWaalsContact OE2-CZ 3.23Å; E165-R168 IonicContact OE2-NE 3.89Å; E165-R168 PolarHBondContact OE2-NE 3.07Å; E165-R168 IonicContact OE2-NH2 2.8Å; E165-R168 PolarHBondContact OE2-NH2 2.9Å; Q166-R168 VanDerWaalsContact C-N 3.35Å; R168-G170 PolarHBondContact O-N 3.12Å; R168-Q171 WeakPolarHBondContact O-CB 3.43Å; R168-Q171 PolarHBondContact O-N 3.03Å; R168-Q171 VanDerWaalsContact O-N 3.11Å
169Q84.2Confident76.2Confident111 Ų111128.6 Ų128.652%0.51964%0.644SS.*Hα-helixtrans-64.5-28.7173.1-72.3175.49.200112.4E165 Q166 Q171 S172E165-Q169 VanDerWaalsContact O-CG 3.3Å; E165-Q169 WeakPolarHBondContact O-CG 3.39Å; E165-Q169 PolarHBondContact O-N 3.28Å; E165-Q169 PolarHBondContact OE1-NE2 2.88Å; Q166-Q169 PolarHBondContact O-N 3.18Å; Q169-Q171 VanDerWaalsContact C-N 3.32Å; Q169-S172 PolarHBondContact O-OG 3.31Å
170G80.3Confident75.5Confident45 Ų45122.3 Ų122.346%0.46463%0.634SS.*Hα-helixtrans-67.4-30.3171.700000113.5Q166 L167 R168 S172 L173Q166-G170 PolarHBondContact O-N 3.45Å; L167-G170 PolarHBondContact O-N 2.98Å; R168-G170 PolarHBondContact O-N 3.12Å; G170-S172 VanDerWaalsContact C-N 3.35Å; G170-L173 PolarHBondContact O-N 3.42Å
171Q78.7Confident74.7Confident160 Ų160120.2 Ų120.275%0.74864%0.636SS**Hα-helixtrans-73.2-24.9-179.1-66.5173.5-1.800113.3L167 R168 Q169 L173L167-Q171 PolarHBondContact O-N 3.21Å; R168-Q171 WeakPolarHBondContact O-CB 3.43Å; R168-Q171 PolarHBondContact O-N 3.03Å; R168-Q171 VanDerWaalsContact O-N 3.11Å; Q169-Q171 VanDerWaalsContact C-N 3.32Å; Q171-L173 VanDerWaalsContact C-N 3.27Å
172S76.6Confident73.4Confident94 Ų94123.5 Ų123.566%0.65764%0.641SS**THydrogen-bonded Turntrans-79.4-11.3175.760.50000113.1Q169 G170 I174Q169-S172 PolarHBondContact O-OG 3.31Å; G170-S172 VanDerWaalsContact C-N 3.35Å; S172-I174 PolarHBondContact O-N 2.88Å
173L69.8Low72Confident139 Ų139121.3 Ų121.373%0.72865%0.653SS**SBendtrans-87.794.9179.6-139.9130.3000109.5G170 Q171 G175G170-L173 PolarHBondContact O-N 3.42Å; Q171-L173 VanDerWaalsContact C-N 3.27Å; L173-G175 PolarHBondContact O-N 3.4Å
174I65.1Low70.6Confident140 Ų140120.6 Ų120.672%0.71866%0.656SS**  trans-67.7107.9175.9-58.1176.7000108.1S172 M178S172-I174 PolarHBondContact O-N 2.88Å; I174-M178 HydrophobicContact CG2-CB 3.82Å
175G66.6Low69.5Low36 Ų36116.4 Ų116.437%0.37165%0.646SS.*  trans-59146.6175.800000111.3L173 Q177 M178L173-G175 PolarHBondContact O-N 3.4Å; G175-Q177 PolarHBondContact O-N 2.99Å; G175-M178 PolarHBondContact O-N 3.43Å
176L63.5Low68.3Low190 Ų190120.7 Ų120.7100%0.99567%0.666SS**THydrogen-bonded Turntrans-52.8-17.4-176.4-124.5105.1000114.7
177Q57.5Low66.9Low191 Ų191120 Ų12089%0.89368%0.677SS**THydrogen-bonded Turntrans-102.9-3.5-179.7-65.3-139.4-25.100115.2G175 G179G175-Q177 PolarHBondContact O-N 2.99Å; Q177-G179 PolarHBondContact O-N 2.78Å
178M60.2Low65.7Low161 Ų161119.4 Ų119.479%0.79369%0.694SS**  trans-82.47.2177.8-74.9-76.6-163.600112.9I174 G175I174-M178 HydrophobicContact CG2-CB 3.82Å; G175-M178 PolarHBondContact O-N 3.43Å
179G61.3Low64.6Low53 Ų53119 Ų11955%0.54670%0.7SS.*SBendtrans-86.5118169.400000110.6Q177 N181Q177-G179 PolarHBondContact O-N 2.78Å; G179-N181 PolarHBondContact O-N 3.37Å; G179-N181 VanDerWaalsContact O-N 3.14Å
180S58.6Low63.5Low91 Ų91119 Ų11964%0.63671%0.708SS**  trans-65.2113169.1178.20000109.8R182S180-R182 PolarHBondContact O-N 2.84Å; S180-R182 WeakPolarHBondContact OG-CB 3.12Å; S180-R182 PolarHBondContact OG-N 2.98Å
181N58.9Low62.8Low133 Ų133119.2 Ų119.271%0.71171%0.711SS**G310 helixtrans-74.54.2171.221.50.6000112.8G179 G183 A184G179-N181 PolarHBondContact O-N 3.37Å; G179-N181 VanDerWaalsContact O-N 3.14Å; N181-G183 PolarHBondContact O-N 3.12Å; N181-A184 HydrophobicContact CB-CB 4.33Å; N181-A184 PolarHBondContact O-N 3.14Å
182R55.4Low61.8Low242 Ų242123.8 Ų123.891%0.91372%0.723SS**G310 helixtrans-62.5-8.5176.7-72.3-170.4-168.6168.34.5114.8S180S180-R182 PolarHBondContact O-N 2.84Å; S180-R182 WeakPolarHBondContact OG-CB 3.12Å; S180-R182 PolarHBondContact OG-N 2.98Å
183G58.8Low61.1Low77 Ų77123.4 Ų123.479%0.79473%0.734SS**G310 helixtrans-114.6-3.8171.200000114.7N181 S185N181-G183 PolarHBondContact O-N 3.12Å; G183-S185 PolarHBondContact O-N 3.42Å
184A58.6Low60.8Low67 Ų67122.9 Ų122.955%0.55473%0.729SS**  trans-86.5100.8177.500000108.5N181N181-A184 HydrophobicContact CB-CB 4.33Å; N181-A184 PolarHBondContact O-N 3.14Å
185S63.8Low60.7Low86 Ų86122.8 Ų122.860%0.60173%0.725SS**  trans-65.6139.5170.571.80000108.8G183 A187G183-S185 PolarHBondContact O-N 3.42Å; S185-A187 PolarHBondContact O-N 2.66Å
186Q60Low60.7Low172 Ų172132 Ų13280%0.80475%0.749SS**SBendtrans-67.1-1.8176-160.1-179.431.900112.4G188 M189Q186-G188 PolarHBondContact O-N 3.12Å; Q186-G188 VanDerWaalsContact O-N 3.07Å; Q186-M189 PolarHBondContact O-N 3.14Å
187A55.7Low60.8Low86 Ų86131.3 Ų131.371%0.71174%0.741SS**THydrogen-bonded Turntrans-65.8107.9178.900000110S185S185-A187 PolarHBondContact O-N 2.66Å
188G61.7Low60.9Low82 Ų82129.9 Ų129.985%0.84574%0.737SS**THydrogen-bonded Turntrans98.3-3.4178.900000115.6Q186 T190Q186-G188 PolarHBondContact O-N 3.12Å; Q186-G188 VanDerWaalsContact O-N 3.07Å; G188-T190 PolarHBondContact O-N 3.35Å
189M61.6Low60.2Low142 Ų142134.6 Ų134.670%0.776%0.76SS**  trans-79.3116.7170-67.4-162.310300110Q186 G191Q186-M189 PolarHBondContact O-N 3.14Å; M189-G191 PolarHBondContact O-N 2.97Å; M189-G191 VanDerWaalsContact O-N 3.14Å
190T61.7Low60.2Low111 Ų111138.7 Ų138.768%0.68177%0.771SS**  trans-66.8110.9173.453.60000109.2G188 M194G188-T190 PolarHBondContact O-N 3.35Å; T190-M194 HydrophobicContact CG2-SD 3.79Å
191G64.6Low60.3Low51 Ų51141.2 Ų141.253%0.52678%0.778SS.*  trans-61.3152.617400000111.7M189 G193 M194M189-G191 PolarHBondContact O-N 2.97Å; M189-G191 VanDerWaalsContact O-N 3.14Å; G191-G193 PolarHBondContact O-N 3.17Å; G191-G193 VanDerWaalsContact O-N 3.15Å; G191-M194 PolarHBondContact O-N 3.39Å; G191-M194 VanDerWaalsContact O-N 3.16Å
192Y58.3Low60.3Low255 Ų255141.6 Ų141.6100%178%0.782SS**THydrogen-bonded Turntrans-52.2121.5172.7-78.3-83000109.9
193G60.8Low60.6Low86 Ų86135.7 Ų135.789%0.88777%0.774SS**THydrogen-bonded Turntrans103.91.8-179.200000115.9G191 H195G191-G193 PolarHBondContact O-N 3.17Å; G191-G193 VanDerWaalsContact O-N 3.15Å; G193-H195 PolarHBondContact O-N 3.41Å
194M64.4Low60.7Low128 Ų128139.4 Ų139.463%0.63177%0.773SS**  trans-72.1129.6175-157.3170.1-170.500111.4T190 G191T190-M194 HydrophobicContact CG2-SD 3.79Å; G191-M194 PolarHBondContact O-N 3.39Å; G191-M194 VanDerWaalsContact O-N 3.16Å
195H63.3Low60.9Low139 Ų139144.2 Ų144.264%0.64479%0.788SS**  trans-63.7135.9179.872.2-70.6000111.4G193 Q197G193-H195 PolarHBondContact O-N 3.41Å; H195-Q197 PolarHBondContact O-N 3.49Å
196R65.8Low60.7Low230 Ų230148.4 Ų148.487%0.86880%0.801SS**  trans-71114.7175.3-130180-171.8-164.51.3107.8I198R196-I198 WeakPolarHBondContact O-CG1 3.14Å; R196-I198 PolarHBondContact O-N 2.9Å
197Q64.9Low60.7Low175 Ų175146.5 Ų146.582%0.81880%0.801SS**  trans-69.9116.6167.9-77.5-165.1-31.200108.3H195H195-Q197 PolarHBondContact O-N 3.49Å
198I61Low61.1Low161 Ų161151.6 Ų151.683%0.82681%0.808SS**  trans-102.7119.4174.2-27.9179.3000105R196R196-I198 WeakPolarHBondContact O-CG1 3.14Å; R196-I198 PolarHBondContact O-N 2.9Å
199M45.6Very low61.1Low259 Ų259157.9 Ų157.9100%1.27681%0.805SS**  trans-92.60172.6-165174.7-16500109.7

Retrieved 199 of 199 residues in 179.8 ms (Link to these results)

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