A0A087WQP9_MOUSE Loading...

Protein phosphatase 4, regulatory subunit 4

AlphaFold DB , UniProt , Accession A0A087WQP9, Species MOUSE (Mus musculus, Mouse), Gene Ppp4r4, Length 232 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
1P83.6Confident95.3Very high154 Ų15488.7 Ų88.7100%149%0.49SS*.  0-54.70-20.634.7000113.8K4 S5P1-K4 PolarHBondContact O-N 3.47Å; P1-S5 PolarHBondContact O-N 3.48Å
2L93.4Very high95.5Very high146 Ų14689.7 Ų89.776%0.76448%0.481SS*.Hα-helixtrans-63.9-45.3-179-64.8175.3000113K4 S5 L6L2-K4 PolarHBondContact O-N 2.99Å; L2-S5 WeakPolarHBondContact O-CB 3.4Å; L2-S5 PolarHBondContact O-N 2.78Å; L2-S5 VanDerWaalsContact O-N 3.14Å; L2-L6 PolarHBondContact O-N 2.85Å; L2-L6 VanDerWaalsContact O-N 3.12Å
3V92.8Very high95.7Very high52 Ų5290.2 Ų90.232%0.31548%0.479SS..Hα-helixtrans-53.9-53.5174.7170.10000111.3S5 L6 C7 M18 L22 I25V3-S5 VanDerWaalsContact C-N 3.29Å; V3-S5 PolarHBondContact O-N 2.74Å; V3-L6 PolarHBondContact O-N 3.24Å; V3-C7 PolarHBondContact O-N 2.92Å; V3-C7 PolarHBondContact O-SG 3.25Å; V3-C7 VanDerWaalsContact O-SG 3.38Å; V3-M18 HydrophobicContact CB-CE 4.47Å; V3-M18 HydrophobicContact CG1-CE 3.97Å; V3-M18 HydrophobicContact CG2-CE 4.23Å; V3-L22 HydrophobicContact CG1-CD2 3.6Å; V3-I25 HydrophobicContact CG1-CD1 4.17Å; V3-I25 HydrophobicContact CG2-CD1 3.71Å
4K93.7Very high95.9Very high100 Ų10087.4 Ų87.444%0.43547%0.467SS..Hα-helixtrans-58.4-39.3177.5-176.6171.4-178.495.90112.3P1 L2 L6 C7 Q8 E41P1-K4 PolarHBondContact O-N 3.47Å; L2-K4 PolarHBondContact O-N 2.99Å; K4-L6 VanDerWaalsContact C-N 3.28Å; K4-L6 PolarHBondContact O-N 3.35Å; K4-C7 PolarHBondContact O-N 3.39Å; K4-Q8 HydrophobicContact CG-CG 4.45Å; K4-Q8 VanDerWaalsContact O-CG 3.3Å; K4-Q8 WeakPolarHBondContact O-CG 3.14Å; K4-Q8 PolarHBondContact O-N 2.8Å; K4-Q8 VanDerWaalsContact O-N 3.08Å; K4-E41 WeakPolarHBondContact CD-OE1 3.26Å; K4-E41 WeakPolarHBondContact CE-OE1 3.49Å; K4-E41 WeakPolarHBondContact CG-OE1 3.29Å; K4-E41 IonicContact NZ-OE1 2.6Å; K4-E41 PolarHBondContact NZ-OE1 3.3Å
5S96.8Very high96.1Very high77 Ų7782.6 Ų82.654%0.53844%0.44SS..Hα-helixtrans-60.1-38.4176.2-170.40000112.5P1 L2 V3 Q8 D9P1-S5 PolarHBondContact O-N 3.48Å; L2-S5 WeakPolarHBondContact O-CB 3.4Å; L2-S5 PolarHBondContact O-N 2.78Å; L2-S5 VanDerWaalsContact O-N 3.14Å; V3-S5 VanDerWaalsContact C-N 3.29Å; V3-S5 PolarHBondContact O-N 2.74Å; S5-Q8 CarbonylContact O-C 3.4Å; S5-Q8 PolarHBondContact O-N 3.1Å; S5-D9 PolarHBondContact O-N 2.79Å
6L98.1Very high96.3Very high71 Ų7178 Ų7837%0.37242%0.416SS..Hα-helixtrans-77.6-29.9178.1-67.2173000112.3L2 V3 K4 Q8 D9 V14 M18L2-L6 PolarHBondContact O-N 2.85Å; L2-L6 VanDerWaalsContact O-N 3.12Å; V3-L6 PolarHBondContact O-N 3.24Å; K4-L6 VanDerWaalsContact C-N 3.28Å; K4-L6 PolarHBondContact O-N 3.35Å; L6-Q8 PolarHBondContact O-N 2.84Å; L6-D9 WeakPolarHBondContact O-CB 3.48Å; L6-D9 PolarHBondContact O-N 3Å; L6-V14 HydrophobicContact CD2-CG1 3.93Å; L6-M18 HydrophobicContact CB-CB 3.96Å; L6-M18 HydrophobicContact CB-CG 3.55Å; L6-M18 HydrophobicContact CB-SD 3.75Å; L6-M18 HydrophobicContact CD1-SD 3.62Å; L6-M18 HydrophobicContact CG-SD 4.35Å
7C97.8Very high96.4Very high0 Ų077.8 Ų77.80%042%0.421CS..Hα-helixtrans-66.5-24.3170.4-66.50000112.6V3 K4 R15 E41 L45V3-C7 PolarHBondContact O-N 2.92Å; V3-C7 PolarHBondContact O-SG 3.25Å; V3-C7 VanDerWaalsContact O-SG 3.38Å; K4-C7 PolarHBondContact O-N 3.39Å; C7-R15 WeakPolarHBondContact O-CD 3.3Å; C7-R15 WeakPolarHBondContact O-CG 3.32Å; C7-E41 WeakPolarHBondContact CB-OE2 3.44Å; C7-L45 HydrophobicContact CB-CD1 4.19Å; C7-L45 HydrophobicContact CB-CD2 4.49Å
8Q96.9Very high96.5Very high99 Ų9974.6 Ų74.646%0.46340%0.404SS..THydrogen-bonded Turntrans-108.719.4179.6-54.5-63.8-42.700112.3K4 S5 L6 E41 E44K4-Q8 HydrophobicContact CG-CG 4.45Å; K4-Q8 VanDerWaalsContact O-CG 3.3Å; K4-Q8 WeakPolarHBondContact O-CG 3.14Å; K4-Q8 PolarHBondContact O-N 2.8Å; K4-Q8 VanDerWaalsContact O-N 3.08Å; S5-Q8 CarbonylContact O-C 3.4Å; S5-Q8 PolarHBondContact O-N 3.1Å; L6-Q8 PolarHBondContact O-N 2.84Å; Q8-E41 PolarHBondContact NE2-OE2 3.16Å; Q8-E44 PolarHBondContact NE2-OE2 2.88Å
9D98.6Very high96.6Very high46 Ų4670.7 Ų70.725%0.24638%0.382CS..  trans-61.5149.5179.1-161.2-75000110.8S5 L6 E11 V14 R15S5-D9 PolarHBondContact O-N 2.79Å; L6-D9 WeakPolarHBondContact O-CB 3.48Å; L6-D9 PolarHBondContact O-N 3Å; D9-E11 VanDerWaalsContact C-N 3.25Å; D9-E11 PolarHBondContact O-N 3.45Å; D9-E11 PolarHBondContact OD1-N 2.86Å; D9-V14 HydrophobicContact CB-CB 3.81Å; D9-V14 HydrophobicContact CB-CG1 3.62Å; D9-R15 HydrophobicContact CB-CG 4.11Å; D9-R15 WeakPolarHBondContact O-CD 3.31Å; D9-R15 VanDerWaalsContact O-CG 3.32Å; D9-R15 WeakPolarHBondContact O-CG 3.47Å; D9-R15 PolarHBondContact O-NH1 3.1Å
10V97.9Very high96.7Very high124 Ų12472 Ų7275%0.75238%0.381SS*.SBendtrans-66-32.1179.2-620000111.5R15V10-R15 PolarHBondContact O-NH1 2.93Å
11E98.4Very high96.7Very high107 Ų10772.6 Ų72.650%0.538%0.382SS..SBendtrans-88.1124.2-179.8-60.2-54.3149.100111.4D9 E13 V14 R15D9-E11 VanDerWaalsContact C-N 3.25Å; D9-E11 PolarHBondContact O-N 3.45Å; D9-E11 PolarHBondContact OD1-N 2.86Å; E11-E13 PolarHBondContact O-N 2.92Å; E11-V14 HydrophobicContact CB-CB 4.48Å; E11-V14 HydrophobicContact CB-CG2 4.02Å; E11-V14 PolarHBondContact O-N 2.94Å; E11-V14 VanDerWaalsContact O-N 3.12Å; E11-R15 PolarHBondContact O-N 3.41Å
12Y98.2Very high97.4Very high100 Ų10065.3 Ų65.339%0.39234%0.335SS..Hα-helixtrans-66.3-27.5-176.378.6-90.4000112.2V14 R15 S16 S50 S52 V53Y12-V14 VanDerWaalsContact C-N 3.31Å; Y12-V14 PolarHBondContact O-N 3.48Å; Y12-R15 PolarHBondContact O-N 2.92Å; Y12-S16 VanDerWaalsContact O-CB 3.25Å; Y12-S16 WeakPolarHBondContact O-CB 3.49Å; Y12-S16 PolarHBondContact O-N 3.48Å; Y12-S50 WeakPolarHBondContact CD2-OG 3.46Å; Y12-S52 WeakPolarHBondContact CD2-OG 3.45Å; Y12-S52 VanDerWaalsContact CE2-OG 3.3Å; Y12-S52 WeakPolarHBondContact CE2-OG 3.42Å; Y12-V53 HydrophobicContact CD2-CG2 4.49Å; Y12-V53 VanDerWaalsContact O-CG2 3.31Å; Y12-V53 WeakPolarHBondContact O-CG2 3.36Å
13E98.4Very high97.5Very high96 Ų9660.3 Ų60.345%0.44931%0.308SS..Hα-helixtrans-63.2-39.4175.1-66.389.4163.300111.3E11 C17E11-E13 PolarHBondContact O-N 2.92Å; E13-C17 VanDerWaalsContact O-CB 3.25Å; E13-C17 WeakPolarHBondContact O-CB 3.45Å; E13-C17 PolarHBondContact O-N 3.33Å
14V98.6Very high97.7Very high51 Ų5162.1 Ų62.131%0.30932%0.315SS..Hα-helixtrans-67.2-46.9176.7179.40000109.6L6 D9 E11 Y12 S16 C17 M18L6-V14 HydrophobicContact CD2-CG1 3.93Å; D9-V14 HydrophobicContact CB-CB 3.81Å; D9-V14 HydrophobicContact CB-CG1 3.62Å; E11-V14 HydrophobicContact CB-CB 4.48Å; E11-V14 HydrophobicContact CB-CG2 4.02Å; E11-V14 PolarHBondContact O-N 2.94Å; E11-V14 VanDerWaalsContact O-N 3.12Å; Y12-V14 VanDerWaalsContact C-N 3.31Å; Y12-V14 PolarHBondContact O-N 3.48Å; V14-S16 PolarHBondContact O-N 3.12Å; V14-C17 PolarHBondContact O-N 3.47Å; V14-M18 WeakPolarHBondContact O-CB 3.42Å; V14-M18 PolarHBondContact O-N 3.08Å
15R98.7Very high97.7Very high16 Ų1659.6 Ų59.66%0.0631%0.306CS..Hα-helixtrans-58.9-46.3175.9-60.3-162.7-60.4-85.69.3112C7 D9 V10 E11 Y12 C17 M18 C19 L45 D48 E49 V53C7-R15 WeakPolarHBondContact O-CD 3.3Å; C7-R15 WeakPolarHBondContact O-CG 3.32Å; D9-R15 HydrophobicContact CB-CG 4.11Å; D9-R15 WeakPolarHBondContact O-CD 3.31Å; D9-R15 VanDerWaalsContact O-CG 3.32Å; D9-R15 WeakPolarHBondContact O-CG 3.47Å; D9-R15 PolarHBondContact O-NH1 3.1Å; V10-R15 PolarHBondContact O-NH1 2.93Å; E11-R15 PolarHBondContact O-N 3.41Å; Y12-R15 PolarHBondContact O-N 2.92Å; R15-C17 PolarHBondContact O-N 3.04Å; R15-M18 PolarHBondContact O-N 2.84Å; R15-C19 WeakPolarHBondContact O-CB 3.39Å; R15-C19 PolarHBondContact O-N 3.24Å; R15-L45 HydrophobicContact CB-CD2 4.27Å; R15-D48 IonicContact CZ-OD1 3.82Å; R15-D48 IonicContact CZ-OD2 2.75Å; R15-D48 IonicContact NE-OD1 3.77Å; R15-D48 IonicContact NE-OD2 2.99Å; R15-D48 PolarHBondContact NE-OD2 3.4Å; R15-D48 IonicContact NH2-OD1 3.65Å; R15-D48 PolarHBondContact NH2-OD1 3.19Å; R15-D48 IonicContact NH2-OD2 3.86Å; R15-D48 PolarHBondContact NH2-OD2 2.86Å; R15-E49 IonicContact NH2-OE1 2.7Å; R15-V53 HydrophobicContact CB-CG1 4.24Å; R15-V53 HydrophobicContact CB-CG2 4.03Å
16S98.3Very high97.7Very high9 Ų956 Ų566%0.06328%0.281CS..Hα-helixtrans-63.8-40.1179.4-168.10000111.9Y12 V14 R20 S52Y12-S16 VanDerWaalsContact O-CB 3.25Å; Y12-S16 WeakPolarHBondContact O-CB 3.49Å; Y12-S16 PolarHBondContact O-N 3.48Å; V14-S16 PolarHBondContact O-N 3.12Å; S16-R20 PolarHBondContact O-N 2.96Å; S16-R20 PolarHBondContact O-NH1 3.17Å; S16-R20 VanDerWaalsContact O-NH1 3.1Å; S16-R20 PolarHBondContact OG-NH1 2.86Å; S16-S52 PolarHBondContact OG-O 3.42Å; S16-S52 VanDerWaalsContact OG-O 3.13Å
17C98.2Very high97.5Very high75 Ų7558.5 Ų58.551%0.50729%0.291SS..Hα-helixtrans-65-51.1174.8-176.60000111.2E13 V14 R15 C19 R20 Q21E13-C17 VanDerWaalsContact O-CB 3.25Å; E13-C17 WeakPolarHBondContact O-CB 3.45Å; E13-C17 PolarHBondContact O-N 3.33Å; V14-C17 PolarHBondContact O-N 3.47Å; R15-C17 PolarHBondContact O-N 3.04Å; C17-C19 VanDerWaalsContact C-N 3.3Å; C17-C19 PolarHBondContact O-N 3.24Å; C17-R20 PolarHBondContact O-N 3.18Å; C17-Q21 PolarHBondContact O-N 3.27Å
18M98.4Very high97.4Very high20 Ų2061.8 Ų61.810%0.09933%0.325CS..Hα-helixtrans-61.6-40.3-179.4-170.965.6-125.100111.6V3 L6 V14 R15 R20 Q21 L22 I25V3-M18 HydrophobicContact CB-CE 4.47Å; V3-M18 HydrophobicContact CG1-CE 3.97Å; V3-M18 HydrophobicContact CG2-CE 4.23Å; L6-M18 HydrophobicContact CB-CB 3.96Å; L6-M18 HydrophobicContact CB-CG 3.55Å; L6-M18 HydrophobicContact CB-SD 3.75Å; L6-M18 HydrophobicContact CD1-SD 3.62Å; L6-M18 HydrophobicContact CG-SD 4.35Å; V14-M18 WeakPolarHBondContact O-CB 3.42Å; V14-M18 PolarHBondContact O-N 3.08Å; R15-M18 PolarHBondContact O-N 2.84Å; M18-R20 VanDerWaalsContact C-N 3.3Å; M18-R20 PolarHBondContact O-N 3.21Å; M18-Q21 HydrophobicContact CE-CB 3.74Å; M18-Q21 WeakPolarHBondContact O-CA 3.21Å; M18-Q21 WeakPolarHBondContact O-CB 3.21Å; M18-Q21 PolarHBondContact O-N 2.95Å; M18-L22 HydrophobicContact CE-CD2 4.37Å; M18-L22 PolarHBondContact O-N 2.9Å; M18-I25 HydrophobicContact CE-CD1 3.33Å
19C98.6Very high97.2Very high0 Ų060 Ų600%032%0.318CS..Hα-helixtrans-51.4-48.4176.1-171.50000111.7R15 C17 Q21 L22 L45 A56 A57 T60R15-C19 WeakPolarHBondContact O-CB 3.39Å; R15-C19 PolarHBondContact O-N 3.24Å; C17-C19 VanDerWaalsContact C-N 3.3Å; C17-C19 PolarHBondContact O-N 3.24Å; C19-Q21 PolarHBondContact O-N 3.2Å; C19-L22 VanDerWaalsContact O-CB 3.23Å; C19-L22 WeakPolarHBondContact O-CB 3.28Å; C19-L22 WeakPolarHBondContact O-CG 3.31Å; C19-L22 PolarHBondContact O-N 3.19Å; C19-L45 HydrophobicContact CB-CD1 3.94Å; C19-A56 HydrophobicContact CB-CB 4.05Å; C19-A57 WeakPolarHBondContact SG-CA 3.4Å; C19-A57 PolarHBondContact SG-N 3.27Å; C19-A57 VanDerWaalsContact SG-N 3.37Å; C19-T60 WeakPolarHBondContact O-CG2 3.46Å; C19-T60 PolarHBondContact O-OG1 2.9Å
20R97.8Very high97Very high96 Ų9659.7 Ų59.736%0.36233%0.326SS..Hα-helixtrans-65.6-24.4178.4-66.3-174.9-179.583.80.9113.9S16 C17 M18 L22 A56 E59S16-R20 PolarHBondContact O-N 2.96Å; S16-R20 PolarHBondContact O-NH1 3.17Å; S16-R20 VanDerWaalsContact O-NH1 3.1Å; S16-R20 PolarHBondContact OG-NH1 2.86Å; C17-R20 PolarHBondContact O-N 3.18Å; M18-R20 VanDerWaalsContact C-N 3.3Å; M18-R20 PolarHBondContact O-N 3.21Å; R20-L22 VanDerWaalsContact C-N 3.29Å; R20-A56 HydrophobicContact CG-CB 4.08Å; R20-E59 IonicContact CZ-OE2 3.28Å; R20-E59 IonicContact NE-OE2 3.61Å; R20-E59 PolarHBondContact NE-OE2 3.14Å; R20-E59 IonicContact NH2-OE2 3.37Å; R20-E59 PolarHBondContact NH2-OE2 3.42Å
21Q97.8Very high96.8Very high85 Ų8557.2 Ų57.240%0.39732%0.319SS..Hα-helixtrans-78.9-13.8176.3-59.4-51.6-49.900112.9C17 M18 C19 E23 N24 I25C17-Q21 PolarHBondContact O-N 3.27Å; M18-Q21 HydrophobicContact CE-CB 3.74Å; M18-Q21 WeakPolarHBondContact O-CA 3.21Å; M18-Q21 WeakPolarHBondContact O-CB 3.21Å; M18-Q21 PolarHBondContact O-N 2.95Å; C19-Q21 PolarHBondContact O-N 3.2Å; Q21-E23 PolarHBondContact O-N 3.09Å; Q21-N24 PolarHBondContact O-N 3.22Å; Q21-N24 VanDerWaalsContact O-N 3.17Å; Q21-N24 PolarHBondContact OE1-ND2 3.23Å; Q21-N24 VanDerWaalsContact OE1-ND2 3.11Å; Q21-I25 WeakPolarHBondContact O-CG1 3.5Å; Q21-I25 PolarHBondContact O-N 2.88Å; Q21-I25 VanDerWaalsContact O-N 3.1Å
22L97.9Very high96.7Very high1 Ų159.2 Ų59.21%0.00533%0.328CS..Hα-helixtrans-62-31.8-179.5-66.3178.9000112.5V3 M18 C19 R20 I25 A26 V38 E41 L42 L45 T60V3-L22 HydrophobicContact CG1-CD2 3.6Å; M18-L22 HydrophobicContact CE-CD2 4.37Å; M18-L22 PolarHBondContact O-N 2.9Å; C19-L22 VanDerWaalsContact O-CB 3.23Å; C19-L22 WeakPolarHBondContact O-CB 3.28Å; C19-L22 WeakPolarHBondContact O-CG 3.31Å; C19-L22 PolarHBondContact O-N 3.19Å; R20-L22 VanDerWaalsContact C-N 3.29Å; L22-I25 HydrophobicContact CD2-CD1 4.39Å; L22-I25 PolarHBondContact O-N 2.7Å; L22-A26 VanDerWaalsContact O-CB 3.32Å; L22-A26 WeakPolarHBondContact O-CB 3.3Å; L22-A26 PolarHBondContact O-N 3.01Å; L22-V38 HydrophobicContact CB-CG1 3.82Å; L22-V38 HydrophobicContact CD1-CG1 4.39Å; L22-V38 HydrophobicContact CD2-CG1 4.38Å; L22-V38 HydrophobicContact CG-CG1 4.42Å; L22-E41 HydrophobicContact CD1-CB 4.36Å; L22-L42 HydrophobicContact CD1-CD2 3.76Å; L22-L42 HydrophobicContact CD1-CG 3.92Å; L22-L45 HydrophobicContact CD1-CD1 3.85Å; L22-T60 HydrophobicContact CB-CG2 4.19Å
23E96.3Very high96.5Very high42 Ų4258.6 Ų58.620%0.19633%0.331CS..Hα-helixtrans-58.9-51.4172.5-179.4-177.8172.200111.6Q21 I25 A26 Q27 T60 N63 M64Q21-E23 PolarHBondContact O-N 3.09Å; E23-I25 VanDerWaalsContact C-N 3.27Å; E23-I25 PolarHBondContact O-N 3.23Å; E23-A26 WeakPolarHBondContact O-CB 3.45Å; E23-A26 PolarHBondContact O-N 3.16Å; E23-Q27 WeakPolarHBondContact O-CG 3.15Å; E23-Q27 PolarHBondContact O-N 2.97Å; E23-T60 HydrophobicContact CB-CG2 4.08Å; E23-N63 VanDerWaalsContact CD-CB 3.42Å; E23-N63 HydrophobicContact CG-CB 4.36Å; E23-N63 WeakPolarHBondContact OE2-CB 3.12Å; E23-N63 PolarHBondContact OE2-ND2 3.19Å; E23-M64 HydrophobicContact CB-CG 4.02Å; E23-M64 HydrophobicContact CB-SD 4.22Å; E23-M64 HydrophobicContact CG-CG 4.03Å
24N95.6Very high96.4Very high89 Ų8954 Ų5448%0.47631%0.31SS..Hα-helixtrans-62.8-36.2180-64.5-38.7000111.8Q21Q21-N24 PolarHBondContact O-N 3.22Å; Q21-N24 VanDerWaalsContact O-N 3.17Å; Q21-N24 PolarHBondContact OE1-ND2 3.23Å; Q21-N24 VanDerWaalsContact OE1-ND2 3.11Å
25I95.4Very high96.3Very high48 Ų4854.8 Ų54.825%0.24631%0.309CS..Hα-helixtrans-68-47176.7-68.6163.8000110.3V3 M18 Q21 L22 E23 Q27 G28 I29V3-I25 HydrophobicContact CG1-CD1 4.17Å; V3-I25 HydrophobicContact CG2-CD1 3.71Å; M18-I25 HydrophobicContact CE-CD1 3.33Å; Q21-I25 WeakPolarHBondContact O-CG1 3.5Å; Q21-I25 PolarHBondContact O-N 2.88Å; Q21-I25 VanDerWaalsContact O-N 3.1Å; L22-I25 HydrophobicContact CD2-CD1 4.39Å; L22-I25 PolarHBondContact O-N 2.7Å; E23-I25 VanDerWaalsContact C-N 3.27Å; E23-I25 PolarHBondContact O-N 3.23Å; I25-Q27 PolarHBondContact O-N 3.44Å; I25-G28 PolarHBondContact O-N 3.46Å; I25-I29 HydrophobicContact CG2-CD1 4.14Å; I25-I29 HydrophobicContact CG2-CG2 3.99Å; I25-I29 WeakPolarHBondContact O-CG1 3.45Å; I25-I29 WeakPolarHBondContact O-CG2 3.4Å; I25-I29 PolarHBondContact O-N 3.09Å
26A96Very high96.1Very high1 Ų158.6 Ų58.61%0.00833%0.33CS..Hα-helixtrans-55.1-38.118000000112L22 E23 G28 T34 M64 M67L22-A26 VanDerWaalsContact O-CB 3.32Å; L22-A26 WeakPolarHBondContact O-CB 3.3Å; L22-A26 PolarHBondContact O-N 3.01Å; E23-A26 WeakPolarHBondContact O-CB 3.45Å; E23-A26 PolarHBondContact O-N 3.16Å; A26-G28 PolarHBondContact O-N 2.99Å; A26-T34 HydrophobicContact CB-CG2 3.77Å; A26-T34 PolarHBondContact O-OG1 3.5Å; A26-M64 HydrophobicContact CB-CE 3.27Å; A26-M64 HydrophobicContact CB-SD 4.17Å; A26-M67 HydrophobicContact CB-CE 3.6Å; A26-M67 HydrophobicContact CB-SD 3.78Å; A26-M67 WeakPolarHBondContact O-CE 3.32Å
27Q94.2Very high95.9Very high123 Ų12362 Ų6258%0.57535%0.35SS*.Hα-helixtrans-61.6-27.5177.8-69.5174.610.300113.2E23 I25 M67E23-Q27 WeakPolarHBondContact O-CG 3.15Å; E23-Q27 PolarHBondContact O-N 2.97Å; I25-Q27 PolarHBondContact O-N 3.44Å; Q27-M67 HydrophobicContact CG-CE 4.27Å
28G94.4Very high95.8Very high70 Ų7058.6 Ų58.672%0.72233%0.327SS*.Hα-helixtrans-99.7-15.4-176.100000115.9I25 A26I25-G28 PolarHBondContact O-N 3.46Å; A26-G28 PolarHBondContact O-N 2.99Å
29I94.2Very high95.7Very high60 Ų6057.9 Ų57.931%0.30832%0.324SS..Hα-helixtrans-102.3-7.6-17265.4174.7000114.1I25 L33 V38I25-I29 HydrophobicContact CG2-CD1 4.14Å; I25-I29 HydrophobicContact CG2-CG2 3.99Å; I25-I29 WeakPolarHBondContact O-CG1 3.45Å; I25-I29 WeakPolarHBondContact O-CG2 3.4Å; I25-I29 PolarHBondContact O-N 3.09Å; I29-L33 HydrophobicContact CB-CB 4.08Å; I29-L33 HydrophobicContact CB-CD1 4.19Å; I29-L33 HydrophobicContact CD1-CB 3.8Å; I29-L33 HydrophobicContact CG1-CB 3.97Å; I29-V38 HydrophobicContact CD1-CG2 3.53Å
30G94.2Very high95.6Very high41 Ų4160.4 Ų60.442%0.42334%0.34SS..  trans82.5165.6-178.200000114.2E32 T34G30-E32 PolarHBondContact O-N 3.15Å; G30-T34 WeakPolarHBondContact O-CB 3.37Å; G30-T34 PolarHBondContact O-N 3.47Å; G30-T34 PolarHBondContact O-OG1 2.9Å
31A94.3Very high95.6Very high72 Ų7256.3 Ų56.360%0.59533%0.325SS*.Hα-helixtrans-64.2-42.7-170.100000113.3L33 T34 K35A31-L33 PolarHBondContact O-N 3.34Å; A31-T34 WeakPolarHBondContact O-CB 3.49Å; A31-T34 PolarHBondContact O-N 3.19Å; A31-K35 WeakPolarHBondContact O-CB 3.44Å; A31-K35 PolarHBondContact O-N 2.93Å
32E95.3Very high95.6Very high148 Ų14852.2 Ų52.269%0.69231%0.306SS*.Hα-helixtrans-61.8-46.6-178.5-173-178.1174.500111.9G30 K35 N36G30-E32 PolarHBondContact O-N 3.15Å; E32-K35 PolarHBondContact O-N 2.89Å; E32-N36 VanDerWaalsContact O-CB 3.3Å; E32-N36 WeakPolarHBondContact O-CB 3.41Å; E32-N36 VanDerWaalsContact O-CG 3.31Å; E32-N36 PolarHBondContact O-N 3.08Å; E32-N36 PolarHBondContact O-ND2 2.69Å
33L94.7Very high95.6Very high88 Ų8854 Ų5446%0.46132%0.315SS..Hα-helixtrans-72.2-32.6177.2-65.8-179.7000112.1I29 A31 K35 N36 V37 V38I29-L33 HydrophobicContact CB-CB 4.08Å; I29-L33 HydrophobicContact CB-CD1 4.19Å; I29-L33 HydrophobicContact CD1-CB 3.8Å; I29-L33 HydrophobicContact CG1-CB 3.97Å; A31-L33 PolarHBondContact O-N 3.34Å; L33-K35 VanDerWaalsContact C-N 3.34Å; L33-N36 PolarHBondContact O-N 2.84Å; L33-V37 HydrophobicContact CD2-CG2 4.2Å; L33-V37 WeakPolarHBondContact O-CA 3.18Å; L33-V37 WeakPolarHBondContact O-CB 3.28Å; L33-V37 PolarHBondContact O-N 2.6Å; L33-V38 PolarHBondContact O-N 3Å
34T96.4Very high95.6Very high0 Ų056.2 Ų56.20%033%0.325CS..Iπ-helixtrans-59.6-47.2173.2-63.70000110.8A26 G30 A31 V38 L39 M64 M67 F68A26-T34 HydrophobicContact CB-CG2 3.77Å; A26-T34 PolarHBondContact O-OG1 3.5Å; G30-T34 WeakPolarHBondContact O-CB 3.37Å; G30-T34 PolarHBondContact O-N 3.47Å; G30-T34 PolarHBondContact O-OG1 2.9Å; A31-T34 WeakPolarHBondContact O-CB 3.49Å; A31-T34 PolarHBondContact O-N 3.19Å; T34-V38 WeakPolarHBondContact O-CB 3.49Å; T34-V38 PolarHBondContact O-N 2.65Å; T34-V38 VanDerWaalsContact O-N 3.12Å; T34-L39 PolarHBondContact O-N 3.2Å; T34-M64 HydrophobicContact CG2-CE 3.66Å; T34-M67 HydrophobicContact CG2-CB 4.36Å; T34-M67 HydrophobicContact CG2-CE 4.48Å; T34-F68 HydrophobicContact CG2-CE1 3.83Å; T34-F68 HydrophobicContact CG2-CZ 4.07Å
35K95.5Very high95.8Very high66 Ų6652 Ų5229%0.28730%0.303SS..Iπ-helixtrans-66.4-47176.6-177.4179-177.5121.70112.6A31 E32 L33 P40 D69 D72A31-K35 WeakPolarHBondContact O-CB 3.44Å; A31-K35 PolarHBondContact O-N 2.93Å; E32-K35 PolarHBondContact O-N 2.89Å; L33-K35 VanDerWaalsContact C-N 3.34Å; K35-P40 VanDerWaalsContact O-CD 3.3Å; K35-P40 WeakPolarHBondContact O-CD 3.12Å; K35-D69 IonicContact NZ-OD1 2.85Å; K35-D69 IonicContact NZ-OD2 2.69Å; K35-D69 PolarHBondContact NZ-OD2 3.08Å; K35-D72 WeakPolarHBondContact CD-OD2 3.32Å; K35-D72 WeakPolarHBondContact CE-OD1 3.46Å; K35-D72 WeakPolarHBondContact CE-OD2 3.12Å; K35-D72 IonicContact NZ-OD1 3.57Å; K35-D72 PolarHBondContact NZ-OD1 2.95Å; K35-D72 IonicContact NZ-OD2 2.78Å; K35-D72 PolarHBondContact NZ-OD2 3.5Å
36N95Very high95.8Very high97 Ų9751 Ų5152%0.51930%0.3SS..Iπ-helixtrans-86.3-17-170.2-67.3-29.1000114.3E32 L33E32-N36 VanDerWaalsContact O-CB 3.3Å; E32-N36 WeakPolarHBondContact O-CB 3.41Å; E32-N36 VanDerWaalsContact O-CG 3.31Å; E32-N36 PolarHBondContact O-N 3.08Å; E32-N36 PolarHBondContact O-ND2 2.69Å; L33-N36 PolarHBondContact O-N 2.84Å
37V93.8Very high95.8Very high79 Ų7959.5 Ų59.548%0.47933%0.332SS..Iπ-helixtrans-123-49.7-175.3-173.40000111.9L33 E41L33-V37 HydrophobicContact CD2-CG2 4.2Å; L33-V37 WeakPolarHBondContact O-CA 3.18Å; L33-V37 WeakPolarHBondContact O-CB 3.28Å; L33-V37 PolarHBondContact O-N 2.6Å; V37-E41 WeakPolarHBondContact O-CG 3.28Å
38V96.4Very high95.9Very high4 Ų454.7 Ų54.72%0.02431%0.31CS..Iπ-helixtrans-78.5-44.4-173.5179.50000111.9L22 I29 L33 T34 E41 L42 M64L22-V38 HydrophobicContact CB-CG1 3.82Å; L22-V38 HydrophobicContact CD1-CG1 4.39Å; L22-V38 HydrophobicContact CD2-CG1 4.38Å; L22-V38 HydrophobicContact CG-CG1 4.42Å; I29-V38 HydrophobicContact CD1-CG2 3.53Å; L33-V38 PolarHBondContact O-N 3Å; T34-V38 WeakPolarHBondContact O-CB 3.49Å; T34-V38 PolarHBondContact O-N 2.65Å; T34-V38 VanDerWaalsContact O-N 3.12Å; V38-E41 PolarHBondContact O-N 3.34Å; V38-L42 HydrophobicContact CG1-CD1 4.13Å; V38-L42 HydrophobicContact CG1-CG 4.42Å; V38-L42 PolarHBondContact O-N 3.21Å; V38-M64 HydrophobicContact CB-CE 4.5Å; V38-M64 HydrophobicContact CG1-CE 3.73Å; V38-M64 HydrophobicContact CG1-SD 4.27Å
39L96.9Very high95.9Very high6 Ų659.3 Ų59.33%0.03131%0.313CS..Hα-helixtrans-59.1-45.4179.7179.360.4000112.6T34 E41 L42 I43 F68 D72 T76 I77T34-L39 PolarHBondContact O-N 3.2Å; L39-E41 VanDerWaalsContact C-N 3.32Å; L39-E41 PolarHBondContact O-N 3.38Å; L39-L42 PolarHBondContact O-N 3.45Å; L39-L42 VanDerWaalsContact O-N 3.15Å; L39-I43 HydrophobicContact CD1-CG1 4.34Å; L39-I43 HydrophobicContact CG-CD1 4.21Å; L39-I43 VanDerWaalsContact O-CG1 3.26Å; L39-I43 WeakPolarHBondContact O-CG1 3.27Å; L39-I43 PolarHBondContact O-N 3.29Å; L39-F68 HydrophobicContact CB-CE1 3.71Å; L39-F68 HydrophobicContact CB-CZ 3.98Å; L39-F68 HydrophobicContact CD1-CE1 4.17Å; L39-F68 HydrophobicContact CD1-CE2 4.49Å; L39-F68 HydrophobicContact CD1-CZ 3.95Å; L39-F68 HydrophobicContact CD2-CD1 4.12Å; L39-F68 HydrophobicContact CD2-CE1 3.91Å; L39-F68 HydrophobicContact CG-CE1 4.14Å; L39-F68 HydrophobicContact CG-CZ 4.37Å; L39-D72 HydrophobicContact CD2-CB 4.41Å; L39-T76 HydrophobicContact CD1-CG2 4.32Å; L39-T76 HydrophobicContact CD2-CG2 4.29Å; L39-T76 HydrophobicContact CG-CG2 4.44Å; L39-I77 HydrophobicContact CD1-CG1 4.28Å
40P96.7Very high96Very high52 Ų5257.5 Ų57.534%0.33831%0.306SS..Hα-helixtrans-54.6-42.9173.4-29.236000114.2K35 I43 E44K35-P40 VanDerWaalsContact O-CD 3.3Å; K35-P40 WeakPolarHBondContact O-CD 3.12Å; P40-I43 WeakPolarHBondContact O-CB 3.33Å; P40-I43 PolarHBondContact O-N 3.26Å; P40-E44 PolarHBondContact O-N 3.03Å; P40-E44 VanDerWaalsContact O-N 3.08Å
41E97.4Very high95.9Very high10 Ų1056.7 Ų56.75%0.04730%0.298CS..Hα-helixtrans-65.9-40.4177-63.5-62.4137.400111.6K4 C7 Q8 L22 V37 V38 L39 I43 E44 L45K4-E41 WeakPolarHBondContact CD-OE1 3.26Å; K4-E41 WeakPolarHBondContact CE-OE1 3.49Å; K4-E41 WeakPolarHBondContact CG-OE1 3.29Å; K4-E41 IonicContact NZ-OE1 2.6Å; K4-E41 PolarHBondContact NZ-OE1 3.3Å; C7-E41 WeakPolarHBondContact CB-OE2 3.44Å; Q8-E41 PolarHBondContact NE2-OE2 3.16Å; L22-E41 HydrophobicContact CD1-CB 4.36Å; V37-E41 WeakPolarHBondContact O-CG 3.28Å; V38-E41 PolarHBondContact O-N 3.34Å; L39-E41 VanDerWaalsContact C-N 3.32Å; L39-E41 PolarHBondContact O-N 3.38Å; E41-I43 VanDerWaalsContact C-N 3.3Å; E41-I43 PolarHBondContact O-N 3.29Å; E41-E44 PolarHBondContact O-N 3.1Å; E41-L45 WeakPolarHBondContact O-CB 3.17Å; E41-L45 WeakPolarHBondContact O-CD1 3.39Å; E41-L45 VanDerWaalsContact O-CG 3.25Å; E41-L45 WeakPolarHBondContact O-CG 3.48Å; E41-L45 PolarHBondContact O-N 3.17Å
42L97.4Very high95.8Very high0 Ų055.4 Ų55.40%028%0.284CS..Hα-helixtrans-62.3-37.4174.2-76.4171.9000112.2L22 V38 L39 L45 S46 T60 M64L22-L42 HydrophobicContact CD1-CD2 3.76Å; L22-L42 HydrophobicContact CD1-CG 3.92Å; V38-L42 HydrophobicContact CG1-CD1 4.13Å; V38-L42 HydrophobicContact CG1-CG 4.42Å; V38-L42 PolarHBondContact O-N 3.21Å; L39-L42 PolarHBondContact O-N 3.45Å; L39-L42 VanDerWaalsContact O-N 3.15Å; L42-L45 PolarHBondContact O-N 3.01Å; L42-S46 VanDerWaalsContact O-CB 3.29Å; L42-S46 WeakPolarHBondContact O-CB 3.47Å; L42-S46 PolarHBondContact O-N 2.88Å; L42-T60 HydrophobicContact CD2-CG2 3.87Å; L42-M64 HydrophobicContact CD1-CE 4.21Å; L42-M64 HydrophobicContact CD1-SD 3.77Å
43I97.4Very high95.9Very high37 Ų3748.3 Ų48.319%0.1925%0.251CS..Hα-helixtrans-62.2-46175.2-63.3165.7000110L39 P40 E41 S46 T76 L80L39-I43 HydrophobicContact CD1-CG1 4.34Å; L39-I43 HydrophobicContact CG-CD1 4.21Å; L39-I43 VanDerWaalsContact O-CG1 3.26Å; L39-I43 WeakPolarHBondContact O-CG1 3.27Å; L39-I43 PolarHBondContact O-N 3.29Å; P40-I43 WeakPolarHBondContact O-CB 3.33Å; P40-I43 PolarHBondContact O-N 3.26Å; E41-I43 VanDerWaalsContact C-N 3.3Å; E41-I43 PolarHBondContact O-N 3.29Å; I43-S46 PolarHBondContact O-N 3.38Å; I43-S46 PolarHBondContact O-OG 2.7Å; I43-T76 HydrophobicContact CD1-CG2 3.54Å; I43-T76 HydrophobicContact CG1-CG2 4Å; I43-L80 HydrophobicContact CG1-CD1 3.95Å
44E97.4Very high96Very high89 Ų8948.1 Ų48.142%0.41624%0.244SC..Hα-helixtrans-61.9-50177.1-70.7-176.517600111.3Q8 P40 E41 S46 R47 D48Q8-E44 PolarHBondContact NE2-OE2 2.88Å; P40-E44 PolarHBondContact O-N 3.03Å; P40-E44 VanDerWaalsContact O-N 3.08Å; E41-E44 PolarHBondContact O-N 3.1Å; E44-S46 VanDerWaalsContact C-N 3.29Å; E44-S46 PolarHBondContact O-N 3.02Å; E44-R47 CarbonylContact O-C 3.53Å; E44-R47 WeakPolarHBondContact O-CA 3.38Å; E44-R47 PolarHBondContact O-N 3.37Å; E44-D48 PolarHBondContact O-N 3.39Å
45L98.1Very high95.9Very high2 Ų249 Ų491%0.0125%0.249CC..Hα-helixtrans-64.2-30.3180-67.7162.9000112.9C7 R15 C19 L22 E41 L42 R47 D48 V53 A57C7-L45 HydrophobicContact CB-CD1 4.19Å; C7-L45 HydrophobicContact CB-CD2 4.49Å; R15-L45 HydrophobicContact CB-CD2 4.27Å; C19-L45 HydrophobicContact CB-CD1 3.94Å; L22-L45 HydrophobicContact CD1-CD1 3.85Å; E41-L45 WeakPolarHBondContact O-CB 3.17Å; E41-L45 WeakPolarHBondContact O-CD1 3.39Å; E41-L45 VanDerWaalsContact O-CG 3.25Å; E41-L45 WeakPolarHBondContact O-CG 3.48Å; E41-L45 PolarHBondContact O-N 3.17Å; L42-L45 PolarHBondContact O-N 3.01Å; L45-R47 PolarHBondContact O-N 3.29Å; L45-D48 VanDerWaalsContact O-CB 3.23Å; L45-D48 WeakPolarHBondContact O-CB 3.43Å; L45-D48 PolarHBondContact O-N 3.44Å; L45-D48 VanDerWaalsContact O-N 3.17Å; L45-V53 HydrophobicContact CB-CG1 4.24Å; L45-V53 HydrophobicContact CD2-CG1 3.64Å; L45-A57 HydrophobicContact CB-CB 3.95Å
46S96.2Very high96Very high25 Ų2545.9 Ų45.918%0.17524%0.235CC..THydrogen-bonded Turntrans-65.1-17.3174.277.20000113.3L42 I43 E44 R54L42-S46 VanDerWaalsContact O-CB 3.29Å; L42-S46 WeakPolarHBondContact O-CB 3.47Å; L42-S46 PolarHBondContact O-N 2.88Å; I43-S46 PolarHBondContact O-N 3.38Å; I43-S46 PolarHBondContact O-OG 2.7Å; E44-S46 VanDerWaalsContact C-N 3.29Å; E44-S46 PolarHBondContact O-N 3.02Å; S46-R54 WeakPolarHBondContact O-CG 3.47Å
47R95.4Very high96.1Very high180 Ų18041.3 Ų41.368%0.67921%0.211SC*.THydrogen-bonded Turntrans-109.18.9179.6-59.5172.5-174.6174.41.9112.4E44 L45E44-R47 CarbonylContact O-C 3.53Å; E44-R47 WeakPolarHBondContact O-CA 3.38Å; E44-R47 PolarHBondContact O-N 3.37Å; L45-R47 PolarHBondContact O-N 3.29Å
48D97.3Very high96.2Very high23 Ų2337.9 Ų37.912%0.12319%0.19CC..  trans-56.1150.2179.5-163.2-79.2000111.5R15 E44 L45 S50 V53 R54R15-D48 IonicContact CZ-OD1 3.82Å; R15-D48 IonicContact CZ-OD2 2.75Å; R15-D48 IonicContact NE-OD1 3.77Å; R15-D48 IonicContact NE-OD2 2.99Å; R15-D48 PolarHBondContact NE-OD2 3.4Å; R15-D48 IonicContact NH2-OD1 3.65Å; R15-D48 PolarHBondContact NH2-OD1 3.19Å; R15-D48 IonicContact NH2-OD2 3.86Å; R15-D48 PolarHBondContact NH2-OD2 2.86Å; E44-D48 PolarHBondContact O-N 3.39Å; L45-D48 VanDerWaalsContact O-CB 3.23Å; L45-D48 WeakPolarHBondContact O-CB 3.43Å; L45-D48 PolarHBondContact O-N 3.44Å; L45-D48 VanDerWaalsContact O-N 3.17Å; D48-S50 VanDerWaalsContact C-N 3.27Å; D48-S50 PolarHBondContact O-N 2.93Å; D48-S50 VanDerWaalsContact OD1-CB 3.3Å; D48-S50 WeakPolarHBondContact OD1-CB 3.37Å; D48-S50 PolarHBondContact OD1-N 3.1Å; D48-V53 HydrophobicContact CB-CB 3.74Å; D48-V53 HydrophobicContact CB-CG1 3.56Å; D48-R54 HydrophobicContact CB-CG 4.21Å; D48-R54 WeakPolarHBondContact O-CD 3.46Å; D48-R54 WeakPolarHBondContact O-CG 3.45Å; D48-R54 PolarHBondContact O-NH1 3.44Å
49E94.6Very high96.2Very high166 Ų16639.4 Ų39.478%0.77620%0.197SC*.SBendtrans-65-31.7176.362.6-172-178.900112.5R15 R54R15-E49 IonicContact NH2-OE1 2.7Å; E49-R54 PolarHBondContact O-NH1 3.45Å
50S94.7Very high96.2Very high22 Ų2239.3 Ų39.315%0.15420%0.196CC..SBendtrans-82.3127.9179.61800000112Y12 D48 S52 V53 R54Y12-S50 WeakPolarHBondContact CD2-OG 3.46Å; D48-S50 VanDerWaalsContact C-N 3.27Å; D48-S50 PolarHBondContact O-N 2.93Å; D48-S50 VanDerWaalsContact OD1-CB 3.3Å; D48-S50 WeakPolarHBondContact OD1-CB 3.37Å; D48-S50 PolarHBondContact OD1-N 3.1Å; S50-S52 VanDerWaalsContact C-N 3.27Å; S50-S52 PolarHBondContact O-N 2.98Å; S50-S52 PolarHBondContact OG-OG 3.45Å; S50-V53 PolarHBondContact O-N 3.47Å; S50-R54 WeakPolarHBondContact O-CG 3.3Å; S50-R54 PolarHBondContact O-N 3.35Å; S50-R54 VanDerWaalsContact O-N 3.09Å
51G92.2Very high96.2Very high25 Ų2537.1 Ų37.126%0.25818%0.181SC..Hα-helixtrans-60.3-35.1176.300000113.6R54 L55G51-R54 PolarHBondContact O-N 3.47Å; G51-L55 WeakPolarHBondContact O-CB 3.44Å; G51-L55 PolarHBondContact O-N 3.5Å
52S94Very high96.2Very high44 Ų4436.6 Ų36.631%0.30818%0.179SC..Hα-helixtrans-73.2-29.2-179.862.10000112.9Y12 S16 S50 A56Y12-S52 WeakPolarHBondContact CD2-OG 3.45Å; Y12-S52 VanDerWaalsContact CE2-OG 3.3Å; Y12-S52 WeakPolarHBondContact CE2-OG 3.42Å; S16-S52 PolarHBondContact OG-O 3.42Å; S16-S52 VanDerWaalsContact OG-O 3.13Å; S50-S52 VanDerWaalsContact C-N 3.27Å; S50-S52 PolarHBondContact O-N 2.98Å; S50-S52 PolarHBondContact OG-OG 3.45Å; S52-A56 WeakPolarHBondContact O-CB 3.42Å; S52-A56 PolarHBondContact O-N 2.9Å; S52-A56 VanDerWaalsContact O-N 3.08Å
53V96.9Very high96.1Very high0 Ų038.9 Ų38.90%019%0.191CC..Hα-helixtrans-73.8-45.9172.8-178.60000110.1Y12 R15 L45 D48 S50 L55 A56 A57Y12-V53 HydrophobicContact CD2-CG2 4.49Å; Y12-V53 VanDerWaalsContact O-CG2 3.31Å; Y12-V53 WeakPolarHBondContact O-CG2 3.36Å; R15-V53 HydrophobicContact CB-CG1 4.24Å; R15-V53 HydrophobicContact CB-CG2 4.03Å; L45-V53 HydrophobicContact CB-CG1 4.24Å; L45-V53 HydrophobicContact CD2-CG1 3.64Å; D48-V53 HydrophobicContact CB-CB 3.74Å; D48-V53 HydrophobicContact CB-CG1 3.56Å; S50-V53 PolarHBondContact O-N 3.47Å; V53-L55 PolarHBondContact O-N 3.25Å; V53-A56 WeakPolarHBondContact O-CB 3.33Å; V53-A56 PolarHBondContact O-N 2.95Å; V53-A56 VanDerWaalsContact O-N 3.15Å; V53-A57 PolarHBondContact O-N 3.18Å
54R95.6Very high96Very high83 Ų8337.1 Ų37.131%0.31318%0.182SC..Hα-helixtrans-57.7-39.9174.4-66-166.8-60.3-85.70.9112.1S46 D48 E49 S50 G51 A57 F58 F84S46-R54 WeakPolarHBondContact O-CG 3.47Å; D48-R54 HydrophobicContact CB-CG 4.21Å; D48-R54 WeakPolarHBondContact O-CD 3.46Å; D48-R54 WeakPolarHBondContact O-CG 3.45Å; D48-R54 PolarHBondContact O-NH1 3.44Å; E49-R54 PolarHBondContact O-NH1 3.45Å; S50-R54 WeakPolarHBondContact O-CG 3.3Å; S50-R54 PolarHBondContact O-N 3.35Å; S50-R54 VanDerWaalsContact O-N 3.09Å; G51-R54 PolarHBondContact O-N 3.47Å; R54-A57 PolarHBondContact O-N 3.06Å; R54-F58 PolarHBondContact O-N 2.96Å; R54-F84 HydrophobicContact CB-CE2 4.32Å
55L95.1Very high95.9Very high19 Ų1933 Ų3310%0.09916%0.163CC..Hα-helixtrans-64.5-47.1175.9-175.160.3000111.8G51 V53 A57 F58 E59 F84 I95G51-L55 WeakPolarHBondContact O-CB 3.44Å; G51-L55 PolarHBondContact O-N 3.5Å; V53-L55 PolarHBondContact O-N 3.25Å; L55-A57 VanDerWaalsContact C-N 3.27Å; L55-A57 PolarHBondContact O-N 3.33Å; L55-F58 PolarHBondContact O-N 3.06Å; L55-E59 WeakPolarHBondContact O-CG 3.36Å; L55-E59 PolarHBondContact O-N 3.32Å; L55-F84 HydrophobicContact CD1-CZ 3.91Å; L55-I95 HydrophobicContact CD1-CG1 4.38Å; L55-I95 HydrophobicContact CD2-CG1 4.47Å
56A97.1Very high95.8Very high0 Ų038.2 Ų38.20%019%0.191CC..Hα-helixtrans-58.1-40.3175.200000112.2C19 R20 S52 V53 E59 T60C19-A56 HydrophobicContact CB-CB 4.05Å; R20-A56 HydrophobicContact CG-CB 4.08Å; S52-A56 WeakPolarHBondContact O-CB 3.42Å; S52-A56 PolarHBondContact O-N 2.9Å; S52-A56 VanDerWaalsContact O-N 3.08Å; V53-A56 WeakPolarHBondContact O-CB 3.33Å; V53-A56 PolarHBondContact O-N 2.95Å; V53-A56 VanDerWaalsContact O-N 3.15Å; A56-E59 PolarHBondContact O-N 3.38Å; A56-T60 VanDerWaalsContact O-CB 3.31Å; A56-T60 WeakPolarHBondContact O-CB 3.46Å; A56-T60 PolarHBondContact O-N 3.27Å; A56-T60 PolarHBondContact O-OG1 3.24Å
57A97.3Very high95.7Very high1 Ų140 Ų401%0.00820%0.197CC..Hα-helixtrans-64.3-4317700000111.9C19 L45 V53 R54 L55 L61C19-A57 WeakPolarHBondContact SG-CA 3.4Å; C19-A57 PolarHBondContact SG-N 3.27Å; C19-A57 VanDerWaalsContact SG-N 3.37Å; L45-A57 HydrophobicContact CB-CB 3.95Å; V53-A57 PolarHBondContact O-N 3.18Å; R54-A57 PolarHBondContact O-N 3.06Å; L55-A57 VanDerWaalsContact C-N 3.27Å; L55-A57 PolarHBondContact O-N 3.33Å; A57-L61 WeakPolarHBondContact O-CB 3.41Å; A57-L61 PolarHBondContact O-N 3.43Å
58F95.9Very high95.7Very high8 Ų831.7 Ų31.74%0.03517%0.166CC..Hα-helixtrans-61.2-50.6174.7173.8-95.8000112R54 L55 T60 L61 V62 V81 F84 L99 H102 L106R54-F58 PolarHBondContact O-N 2.96Å; L55-F58 PolarHBondContact O-N 3.06Å; F58-T60 VanDerWaalsContact C-N 3.34Å; F58-T60 PolarHBondContact O-N 2.87Å; F58-L61 PolarHBondContact O-N 3.08Å; F58-V62 HydrophobicContact CD1-CG2 4.48Å; F58-V62 HydrophobicContact CD2-CG2 4.46Å; F58-V62 HydrophobicContact CE1-CG2 4.06Å; F58-V62 HydrophobicContact CE2-CG2 4.05Å; F58-V62 HydrophobicContact CZ-CG2 3.83Å; F58-V62 WeakPolarHBondContact O-CG2 3.39Å; F58-V62 PolarHBondContact O-N 3.36Å; F58-V81 HydrophobicContact CE2-CG1 4.4Å; F58-F84 HydrophobicContact CB-CD1 4.19Å; F58-F84 HydrophobicContact CB-CD2 4.22Å; F58-F84 HydrophobicContact CB-CE1 3.91Å; F58-F84 HydrophobicContact CB-CE2 3.94Å; F58-F84 HydrophobicContact CB-CG 4.34Å; F58-F84 HydrophobicContact CB-CZ 3.79Å; F58-F84 HydrophobicContact CD1-CD1 4.27Å; F58-F84 AromaticContact CD1-CE1 3.8Å; F58-F84 HydrophobicContact CD1-CE1 3.8Å; F58-F84 HydrophobicContact CD1-CZ 4.32Å; F58-F84 HydrophobicContact CD2-CB 4.27Å; F58-F84 AromaticContact CD2-CD1 3.41Å; F58-F84 HydrophobicContact CD2-CD1 3.41Å; F58-F84 VanDerWaalsContact CD2-CD1 3.41Å; F58-F84 AromaticContact CD2-CE1 3.79Å; F58-F84 HydrophobicContact CD2-CE1 3.79Å; F58-F84 AromaticContact CD2-CG 3.83Å; F58-F84 HydrophobicContact CD2-CG 3.83Å; F58-F84 HydrophobicContact CD2-CZ 4.49Å; F58-F84 HydrophobicContact CE1-CE1 4.27Å; F58-F84 AromaticContact CE2-CD1 3.78Å; F58-F84 HydrophobicContact CE2-CD1 3.78Å; F58-F84 HydrophobicContact CE2-CE1 4.25Å; F58-F84 HydrophobicContact CE2-CG 4.48Å; F58-F84 AromaticContact CG-CD1 3.68Å; F58-F84 HydrophobicContact CG-CD1 3.68Å; F58-F84 AromaticContact CG-CE1 3.54Å; F58-F84 HydrophobicContact CG-CE1 3.54Å; F58-F84 HydrophobicContact CG-CE2 4.44Å; F58-F84 HydrophobicContact CG-CG 4.21Å; F58-F84 AromaticContact CG-CZ 3.95Å; F58-F84 HydrophobicContact CG-CZ 3.95Å; F58-F84 HydrophobicContact CZ-CD1 4.35Å; F58-F84 HydrophobicContact CZ-CE1 4.48Å; F58-L99 HydrophobicContact CE1-CB 4.32Å; F58-L99 HydrophobicContact CE1-CG 4.29Å; F58-L99 HydrophobicContact CZ-CD1 4.22Å; F58-L99 HydrophobicContact CZ-CG 4.04Å; F58-H102 HydrophobicContact CE1-CB 4.13Å; F58-L106 HydrophobicContact CE2-CD2 4.33Å; F58-L106 HydrophobicContact CZ-CD2 4.19Å
59E96.4Very high95.6Very high36 Ų3634.1 Ų34.117%0.16818%0.179CC..Hα-helixtrans-56.2-49178.7-69.3169.6166.600111.2R20 L55 A56 L61 V62 N63 S98R20-E59 IonicContact CZ-OE2 3.28Å; R20-E59 IonicContact NE-OE2 3.61Å; R20-E59 PolarHBondContact NE-OE2 3.14Å; R20-E59 IonicContact NH2-OE2 3.37Å; R20-E59 PolarHBondContact NH2-OE2 3.42Å; L55-E59 WeakPolarHBondContact O-CG 3.36Å; L55-E59 PolarHBondContact O-N 3.32Å; A56-E59 PolarHBondContact O-N 3.38Å; E59-L61 PolarHBondContact O-N 3.42Å; E59-V62 PolarHBondContact O-N 3.26Å; E59-N63 PolarHBondContact O-N 3.23Å; E59-N63 VanDerWaalsContact O-N 3.09Å; E59-S98 WeakPolarHBondContact CG-OG 3.23Å; E59-S98 WeakPolarHBondContact OE1-CB 3.36Å; E59-S98 PolarHBondContact OE1-OG 3.12Å
60T97.6Very high95.7Very high3 Ų330.6 Ų30.62%0.01817%0.169CC..Hα-helixtrans-63.9-43.6-179.7-520000111.3C19 L22 E23 L42 A56 F58 V62 N63 M64C19-T60 WeakPolarHBondContact O-CG2 3.46Å; C19-T60 PolarHBondContact O-OG1 2.9Å; L22-T60 HydrophobicContact CB-CG2 4.19Å; E23-T60 HydrophobicContact CB-CG2 4.08Å; L42-T60 HydrophobicContact CD2-CG2 3.87Å; A56-T60 VanDerWaalsContact O-CB 3.31Å; A56-T60 WeakPolarHBondContact O-CB 3.46Å; A56-T60 PolarHBondContact O-N 3.27Å; A56-T60 PolarHBondContact O-OG1 3.24Å; F58-T60 VanDerWaalsContact C-N 3.34Å; F58-T60 PolarHBondContact O-N 2.87Å; T60-V62 PolarHBondContact O-N 3.38Å; T60-N63 PolarHBondContact O-N 3.49Å; T60-M64 HydrophobicContact CG2-SD 3.87Å; T60-M64 WeakPolarHBondContact O-CG 3.3Å; T60-M64 PolarHBondContact O-N 3.5Å
61L96.8Very high95.7Very high6 Ų634.8 Ų34.83%0.03119%0.19CC..Hα-helixtrans-63.3-40.9178.5174.2156.4000111.9A57 F58 E59 N63 M64 L65 I77 L80 V81A57-L61 WeakPolarHBondContact O-CB 3.41Å; A57-L61 PolarHBondContact O-N 3.43Å; F58-L61 PolarHBondContact O-N 3.08Å; E59-L61 PolarHBondContact O-N 3.42Å; L61-N63 VanDerWaalsContact C-N 3.29Å; L61-N63 PolarHBondContact O-N 3.24Å; L61-M64 PolarHBondContact O-N 3.04Å; L61-L65 PolarHBondContact O-N 3.2Å; L61-I77 HydrophobicContact CD1-CG1 4.39Å; L61-I77 HydrophobicContact CD1-CG2 4.09Å; L61-I77 HydrophobicContact CD2-CG2 3.36Å; L61-I77 HydrophobicContact CG-CG2 3.95Å; L61-L80 HydrophobicContact CD1-CD1 4.06Å; L61-V81 HydrophobicContact CD2-CG2 3.9Å
62V96.2Very high95.9Very high0 Ų034.4 Ų34.40%018%0.182CC..Hα-helixtrans-63.2-38.7175174.80000110.9F58 E59 T60 M64 L65 H102 K105 L106F58-V62 HydrophobicContact CD1-CG2 4.48Å; F58-V62 HydrophobicContact CD2-CG2 4.46Å; F58-V62 HydrophobicContact CE1-CG2 4.06Å; F58-V62 HydrophobicContact CE2-CG2 4.05Å; F58-V62 HydrophobicContact CZ-CG2 3.83Å; F58-V62 WeakPolarHBondContact O-CG2 3.39Å; F58-V62 PolarHBondContact O-N 3.36Å; E59-V62 PolarHBondContact O-N 3.26Å; T60-V62 PolarHBondContact O-N 3.38Å; V62-M64 VanDerWaalsContact C-N 3.29Å; V62-M64 PolarHBondContact O-N 2.99Å; V62-L65 HydrophobicContact CG1-CD1 4.23Å; V62-L65 WeakPolarHBondContact O-CG 3.37Å; V62-L65 PolarHBondContact O-N 3.35Å; V62-H102 HydrophobicContact CG1-CB 4.12Å; V62-H102 HydrophobicContact CG2-CB 4.43Å; V62-K105 HydrophobicContact CG1-CB 4.24Å; V62-K105 HydrophobicContact CG1-CD 4.01Å; V62-K105 HydrophobicContact CG1-CG 3.95Å; V62-K105 WeakPolarHBondContact O-CE 3.38Å; V62-L106 HydrophobicContact CG1-CB 4.32Å; V62-L106 HydrophobicContact CG2-CB 4.36Å; V62-L106 HydrophobicContact CG2-CD1 4.14Å
63N95.7Very high96Very high48 Ų4834.4 Ų34.426%0.25718%0.175SC..Hα-helixtrans-69.1-29.6178.9-73.3-18.6000114E23 E59 T60 L61 K105E23-N63 VanDerWaalsContact CD-CB 3.42Å; E23-N63 HydrophobicContact CG-CB 4.36Å; E23-N63 WeakPolarHBondContact OE2-CB 3.12Å; E23-N63 PolarHBondContact OE2-ND2 3.19Å; E59-N63 PolarHBondContact O-N 3.23Å; E59-N63 VanDerWaalsContact O-N 3.09Å; T60-N63 PolarHBondContact O-N 3.49Å; L61-N63 VanDerWaalsContact C-N 3.29Å; L61-N63 PolarHBondContact O-N 3.24Å; N63-K105 PolarHBondContact OD1-NZ 3.37Å
64M96.3Very high95.9Very high0 Ų035.8 Ų35.80%018%0.184CC..THydrogen-bonded Turntrans-91.11.5-179.2-66.7179.556.800114.1E23 A26 T34 V38 L42 T60 L61 V62 D66 M67 F68E23-M64 HydrophobicContact CB-CG 4.02Å; E23-M64 HydrophobicContact CB-SD 4.22Å; E23-M64 HydrophobicContact CG-CG 4.03Å; A26-M64 HydrophobicContact CB-CE 3.27Å; A26-M64 HydrophobicContact CB-SD 4.17Å; T34-M64 HydrophobicContact CG2-CE 3.66Å; V38-M64 HydrophobicContact CB-CE 4.5Å; V38-M64 HydrophobicContact CG1-CE 3.73Å; V38-M64 HydrophobicContact CG1-SD 4.27Å; L42-M64 HydrophobicContact CD1-CE 4.21Å; L42-M64 HydrophobicContact CD1-SD 3.77Å; T60-M64 HydrophobicContact CG2-SD 3.87Å; T60-M64 WeakPolarHBondContact O-CG 3.3Å; T60-M64 PolarHBondContact O-N 3.5Å; L61-M64 PolarHBondContact O-N 3.04Å; V62-M64 VanDerWaalsContact C-N 3.29Å; V62-M64 PolarHBondContact O-N 2.99Å; M64-D66 PolarHBondContact O-N 3.04Å; M64-D66 VanDerWaalsContact O-N 3.09Å; M64-M67 HydrophobicContact CB-CG 4.43Å; M64-M67 HydrophobicContact CB-SD 4.15Å; M64-M67 HydrophobicContact CE-SD 4.14Å; M64-M67 HydrophobicContact CG-SD 3.99Å; M64-M67 VanDerWaalsContact O-CB 3.28Å; M64-M67 WeakPolarHBondContact O-CB 3.45Å; M64-M67 WeakPolarHBondContact O-CG 3.25Å; M64-M67 PolarHBondContact O-N 3.48Å; M64-F68 HydrophobicContact CB-CD2 4.46Å; M64-F68 HydrophobicContact CB-CE2 3.72Å; M64-F68 HydrophobicContact CB-CZ 4.45Å; M64-F68 HydrophobicContact CE-CE2 4.15Å; M64-F68 HydrophobicContact CE-CZ 3.8Å; M64-F68 WeakPolarHBondContact O-CD2 3.43Å; M64-F68 WeakPolarHBondContact O-CE2 3.29Å
65L95.6Very high95.9Very high2 Ų238.8 Ų38.81%0.0120%0.202CC..G310 helixtrans-48.2-44.4-176.1-79.7170.8000112.6L61 V62 M67 F68 R73 I77 L106 L110L61-L65 PolarHBondContact O-N 3.2Å; V62-L65 HydrophobicContact CG1-CD1 4.23Å; V62-L65 WeakPolarHBondContact O-CG 3.37Å; V62-L65 PolarHBondContact O-N 3.35Å; L65-M67 PolarHBondContact O-N 2.96Å; L65-F68 PolarHBondContact O-N 3.44Å; L65-R73 PolarHBondContact O-NE 3.46Å; L65-R73 PolarHBondContact O-NH2 3.02Å; L65-I77 HydrophobicContact CD2-CD1 4.34Å; L65-I77 HydrophobicContact CD2-CG2 3.64Å; L65-L106 HydrophobicContact CD1-CD1 4.12Å; L65-L110 HydrophobicContact CD2-CD2 3.78Å; L65-L110 HydrophobicContact CD2-CG 4.15Å
66D94.1Very high95.9Very high112 Ų11239.8 Ų39.860%0.59921%0.209SC*.G310 helixtrans-71.9-9.7-176.3-65.7-37.3000114.8M64 R73M64-D66 PolarHBondContact O-N 3.04Å; M64-D66 VanDerWaalsContact O-N 3.09Å; D66-R73 VanDerWaalsContact CA-NH2 3.32Å; D66-R73 IonicContact OD1-CZ 2.93Å; D66-R73 IonicContact OD1-NH1 3.75Å; D66-R73 PolarHBondContact OD1-NH1 3.4Å; D66-R73 IonicContact OD1-NH2 2.74Å
67M95.4Very high95.9Very high62 Ų6239.8 Ų39.831%0.30521%0.209SC..G310 helixtrans-85.6-12.5176.5-48.9-172.271.600112.9A26 Q27 T34 M64 L65A26-M67 HydrophobicContact CB-CE 3.6Å; A26-M67 HydrophobicContact CB-SD 3.78Å; A26-M67 WeakPolarHBondContact O-CE 3.32Å; Q27-M67 HydrophobicContact CG-CE 4.27Å; T34-M67 HydrophobicContact CG2-CB 4.36Å; T34-M67 HydrophobicContact CG2-CE 4.48Å; M64-M67 HydrophobicContact CB-CG 4.43Å; M64-M67 HydrophobicContact CB-SD 4.15Å; M64-M67 HydrophobicContact CE-SD 4.14Å; M64-M67 HydrophobicContact CG-SD 3.99Å; M64-M67 VanDerWaalsContact O-CB 3.28Å; M64-M67 WeakPolarHBondContact O-CB 3.45Å; M64-M67 WeakPolarHBondContact O-CG 3.25Å; M64-M67 PolarHBondContact O-N 3.48Å; L65-M67 PolarHBondContact O-N 2.96Å
68F95.8Very high95.8Very high6 Ų640 Ų403%0.02621%0.21CC..SBendtrans-104.4148-176.5-62.9-64.6000111.6T34 L39 M64 L65 D72 R73 I77T34-F68 HydrophobicContact CG2-CE1 3.83Å; T34-F68 HydrophobicContact CG2-CZ 4.07Å; L39-F68 HydrophobicContact CB-CE1 3.71Å; L39-F68 HydrophobicContact CB-CZ 3.98Å; L39-F68 HydrophobicContact CD1-CE1 4.17Å; L39-F68 HydrophobicContact CD1-CE2 4.49Å; L39-F68 HydrophobicContact CD1-CZ 3.95Å; L39-F68 HydrophobicContact CD2-CD1 4.12Å; L39-F68 HydrophobicContact CD2-CE1 3.91Å; L39-F68 HydrophobicContact CG-CE1 4.14Å; L39-F68 HydrophobicContact CG-CZ 4.37Å; M64-F68 HydrophobicContact CB-CD2 4.46Å; M64-F68 HydrophobicContact CB-CE2 3.72Å; M64-F68 HydrophobicContact CB-CZ 4.45Å; M64-F68 HydrophobicContact CE-CE2 4.15Å; M64-F68 HydrophobicContact CE-CZ 3.8Å; M64-F68 WeakPolarHBondContact O-CD2 3.43Å; M64-F68 WeakPolarHBondContact O-CE2 3.29Å; L65-F68 PolarHBondContact O-N 3.44Å; F68-D72 HydrophobicContact CB-CB 3.86Å; F68-D72 HydrophobicContact CD1-CB 4.34Å; F68-D72 HydrophobicContact CG-CB 4.41Å; F68-R73 HydrophobicContact CB-CG 4.08Å; F68-R73 VanDerWaalsContact O-CZ 3.29Å; F68-R73 PolarHBondContact O-NE 3.4Å; F68-R73 PolarHBondContact O-NH2 2.9Å; F68-I77 HydrophobicContact CB-CD1 3.93Å; F68-I77 HydrophobicContact CD2-CD1 3.29Å; F68-I77 HydrophobicContact CE2-CD1 3.87Å; F68-I77 HydrophobicContact CG-CD1 3.67Å
69D95.3Very high95.7Very high73 Ų7342.7 Ų42.739%0.3923%0.228SC..  trans-75.7172.8174.865.435.7000111.9K35 D71 D72 R73K35-D69 IonicContact NZ-OD1 2.85Å; K35-D69 IonicContact NZ-OD2 2.69Å; K35-D69 PolarHBondContact NZ-OD2 3.08Å; D69-D71 VanDerWaalsContact C-N 3.26Å; D69-D71 PolarHBondContact O-N 3.41Å; D69-D71 PolarHBondContact OD1-N 3.3Å; D69-D71 VanDerWaalsContact OD1-N 3.1Å; D69-D72 PolarHBondContact O-N 2.98Å; D69-D72 WeakPolarHBondContact OD1-CB 3.45Å; D69-D72 VanDerWaalsContact OD1-CG 3.23Å; D69-D72 PolarHBondContact OD1-N 3.05Å; D69-R73 WeakPolarHBondContact O-CB 3.46Å; D69-R73 VanDerWaalsContact O-CG 3.31Å; D69-R73 WeakPolarHBondContact O-CG 3.44Å; D69-R73 PolarHBondContact O-N 2.92Å
70T95.3Very high95.7Very high92 Ų9242.1 Ų42.156%0.56423%0.226SC*.Hα-helixtrans-61.6-34-178.6-54.60000112.5S74 I113T70-S74 WeakPolarHBondContact O-CB 3.48Å; T70-S74 PolarHBondContact O-N 3.44Å; T70-S74 PolarHBondContact O-OG 2.95Å; T70-I113 HydrophobicContact CG2-CD1 4.48Å; T70-I113 HydrophobicContact CG2-CG1 4.38Å
71D95.4Very high95.5Very high111 Ų11142.1 Ų42.159%0.59423%0.226SC*.Hα-helixtrans-70.5-44.7-179.7-71.7-17.6000110.5D69 R73 S74 Q75D69-D71 VanDerWaalsContact C-N 3.26Å; D69-D71 PolarHBondContact O-N 3.41Å; D69-D71 PolarHBondContact OD1-N 3.3Å; D69-D71 VanDerWaalsContact OD1-N 3.1Å; D71-R73 PolarHBondContact O-N 3.31Å; D71-S74 PolarHBondContact O-N 2.79Å; D71-S74 PolarHBondContact O-OG 3.25Å; D71-S74 VanDerWaalsContact O-OG 3.1Å; D71-Q75 VanDerWaalsContact O-CB 3.31Å; D71-Q75 WeakPolarHBondContact O-CB 3.49Å; D71-Q75 WeakPolarHBondContact O-CG 3.16Å; D71-Q75 PolarHBondContact O-N 2.69Å
72D95.8Very high95.4Very high16 Ų1643.6 Ų43.69%0.08623%0.232CC..Hα-helixtrans-60.6-46175-69.6-29.2000111.3K35 L39 F68 D69 S74 T76 I77K35-D72 WeakPolarHBondContact CD-OD2 3.32Å; K35-D72 WeakPolarHBondContact CE-OD1 3.46Å; K35-D72 WeakPolarHBondContact CE-OD2 3.12Å; K35-D72 IonicContact NZ-OD1 3.57Å; K35-D72 PolarHBondContact NZ-OD1 2.95Å; K35-D72 IonicContact NZ-OD2 2.78Å; K35-D72 PolarHBondContact NZ-OD2 3.5Å; L39-D72 HydrophobicContact CD2-CB 4.41Å; F68-D72 HydrophobicContact CB-CB 3.86Å; F68-D72 HydrophobicContact CD1-CB 4.34Å; F68-D72 HydrophobicContact CG-CB 4.41Å; D69-D72 PolarHBondContact O-N 2.98Å; D69-D72 WeakPolarHBondContact OD1-CB 3.45Å; D69-D72 VanDerWaalsContact OD1-CG 3.23Å; D69-D72 PolarHBondContact OD1-N 3.05Å; D72-S74 PolarHBondContact O-N 3.04Å; D72-T76 WeakPolarHBondContact O-CA 3.4Å; D72-T76 VanDerWaalsContact O-CB 3.28Å; D72-T76 WeakPolarHBondContact O-CB 3.44Å; D72-T76 PolarHBondContact O-N 2.98Å; D72-T76 VanDerWaalsContact O-N 3.08Å; D72-I77 PolarHBondContact O-N 3.18Å
73R96.6Very high95.2Very high45 Ų4545.7 Ų45.717%0.1725%0.247CC..Iπ-helixtrans-62.7-42.3178.6-71-180-150.4-160.27.4111.9L65 D66 F68 D69 D71 I77 L78 G109 L110 I113L65-R73 PolarHBondContact O-NE 3.46Å; L65-R73 PolarHBondContact O-NH2 3.02Å; D66-R73 VanDerWaalsContact CA-NH2 3.32Å; D66-R73 IonicContact OD1-CZ 2.93Å; D66-R73 IonicContact OD1-NH1 3.75Å; D66-R73 PolarHBondContact OD1-NH1 3.4Å; D66-R73 IonicContact OD1-NH2 2.74Å; F68-R73 HydrophobicContact CB-CG 4.08Å; F68-R73 VanDerWaalsContact O-CZ 3.29Å; F68-R73 PolarHBondContact O-NE 3.4Å; F68-R73 PolarHBondContact O-NH2 2.9Å; D69-R73 WeakPolarHBondContact O-CB 3.46Å; D69-R73 VanDerWaalsContact O-CG 3.31Å; D69-R73 WeakPolarHBondContact O-CG 3.44Å; D69-R73 PolarHBondContact O-N 2.92Å; D71-R73 PolarHBondContact O-N 3.31Å; R73-I77 HydrophobicContact CG-CD1 4.24Å; R73-L78 VanDerWaalsContact O-CB 3.29Å; R73-L78 WeakPolarHBondContact O-CB 3.32Å; R73-L78 PolarHBondContact O-N 3.15Å; R73-G109 PolarHBondContact NH1-O 2.85Å; R73-L110 HydrophobicContact CB-CD2 3.92Å; R73-L110 HydrophobicContact CG-CD2 4.28Å; R73-I113 HydrophobicContact CB-CD1 3.26Å; R73-I113 HydrophobicContact CG-CD1 4.11Å
74S95.6Very high95Very high28 Ų2844.7 Ų44.720%0.19624%0.24CC..Iπ-helixtrans-77.5-46.6-176.366.70000113.8T70 D71 D72 P79 I113T70-S74 WeakPolarHBondContact O-CB 3.48Å; T70-S74 PolarHBondContact O-N 3.44Å; T70-S74 PolarHBondContact O-OG 2.95Å; D71-S74 PolarHBondContact O-N 2.79Å; D71-S74 PolarHBondContact O-OG 3.25Å; D71-S74 VanDerWaalsContact O-OG 3.1Å; D72-S74 PolarHBondContact O-N 3.04Å; S74-P79 WeakPolarHBondContact O-CD 3.46Å; S74-I113 VanDerWaalsContact CB-CG2 3.44Å
75Q94.9Very high94.8Very high147 Ų14745 Ų4569%0.68724%0.242SC*.Iπ-helixtrans-87.9-25.4-171.7-58.9-56.8-34.400113.1D71D71-Q75 VanDerWaalsContact O-CB 3.31Å; D71-Q75 WeakPolarHBondContact O-CB 3.49Å; D71-Q75 WeakPolarHBondContact O-CG 3.16Å; D71-Q75 PolarHBondContact O-N 2.69Å
76T95.3Very high94.6Very high40 Ų4051.4 Ų51.425%0.24527%0.272CS..Iπ-helixtrans-116.7-57.1-173.2-55.10000111.8L39 I43 D72 P79 L80L39-T76 HydrophobicContact CD1-CG2 4.32Å; L39-T76 HydrophobicContact CD2-CG2 4.29Å; L39-T76 HydrophobicContact CG-CG2 4.44Å; I43-T76 HydrophobicContact CD1-CG2 3.54Å; I43-T76 HydrophobicContact CG1-CG2 4Å; D72-T76 WeakPolarHBondContact O-CA 3.4Å; D72-T76 VanDerWaalsContact O-CB 3.28Å; D72-T76 WeakPolarHBondContact O-CB 3.44Å; D72-T76 PolarHBondContact O-N 2.98Å; D72-T76 VanDerWaalsContact O-N 3.08Å; T76-P79 WeakPolarHBondContact O-CD 3.44Å; T76-L80 HydrophobicContact CG2-CD1 4.45Å; T76-L80 WeakPolarHBondContact O-CG 3.41Å; T76-L80 PolarHBondContact O-N 3.22Å
77I95.9Very high94.4Very high0 Ų052.4 Ų52.40%027%0.271CS..Iπ-helixtrans-73.2-48.9-168.7-64.2172.9000111.8L39 L61 L65 F68 D72 R73 L80 V81L39-I77 HydrophobicContact CD1-CG1 4.28Å; L61-I77 HydrophobicContact CD1-CG1 4.39Å; L61-I77 HydrophobicContact CD1-CG2 4.09Å; L61-I77 HydrophobicContact CD2-CG2 3.36Å; L61-I77 HydrophobicContact CG-CG2 3.95Å; L65-I77 HydrophobicContact CD2-CD1 4.34Å; L65-I77 HydrophobicContact CD2-CG2 3.64Å; F68-I77 HydrophobicContact CB-CD1 3.93Å; F68-I77 HydrophobicContact CD2-CD1 3.29Å; F68-I77 HydrophobicContact CE2-CD1 3.87Å; F68-I77 HydrophobicContact CG-CD1 3.67Å; D72-I77 PolarHBondContact O-N 3.18Å; R73-I77 HydrophobicContact CG-CD1 4.24Å; I77-L80 WeakPolarHBondContact O-CB 3.44Å; I77-L80 PolarHBondContact O-N 3.41Å; I77-V81 HydrophobicContact CG2-CG2 4.06Å; I77-V81 WeakPolarHBondContact O-CG2 3.35Å; I77-V81 PolarHBondContact O-N 3.01Å
78L95.8Very high94Very high6 Ų649.5 Ų49.53%0.03126%0.257CS..Hα-helixtrans-57.2-44.1-179172.861.2000112.9R73 L80 V81 K82 L110 I113 F114 F122R73-L78 VanDerWaalsContact O-CB 3.29Å; R73-L78 WeakPolarHBondContact O-CB 3.32Å; R73-L78 PolarHBondContact O-N 3.15Å; L78-L80 VanDerWaalsContact C-N 3.34Å; L78-L80 PolarHBondContact O-N 3.23Å; L78-V81 PolarHBondContact O-N 3.45Å; L78-K82 HydrophobicContact CD1-CD 4.16Å; L78-K82 HydrophobicContact CD1-CG 4.12Å; L78-K82 HydrophobicContact CG-CD 4.22Å; L78-K82 WeakPolarHBondContact O-CB 3.16Å; L78-K82 WeakPolarHBondContact O-CG 3.46Å; L78-K82 PolarHBondContact O-N 3.4Å; L78-L110 HydrophobicContact CB-CD1 4.5Å; L78-L110 HydrophobicContact CD1-CD1 4.08Å; L78-I113 HydrophobicContact CD2-CG2 4.04Å; L78-F114 HydrophobicContact CD1-CD1 3.84Å; L78-F114 HydrophobicContact CD1-CE1 3.39Å; L78-F114 HydrophobicContact CD1-CZ 4.24Å; L78-F114 HydrophobicContact CD2-CD1 4.29Å; L78-F122 HydrophobicContact CD1-CE2 4.23Å; L78-F122 HydrophobicContact CD1-CZ 4.36Å
79P95.1Very high93.5Very high64 Ų6452 Ų5242%0.41627%0.268SS..Hα-helixtrans-57.1-39.8171.7-29.536.5000114.7S74 T76 S83S74-P79 WeakPolarHBondContact O-CD 3.46Å; T76-P79 WeakPolarHBondContact O-CD 3.44Å; P79-S83 PolarHBondContact O-N 2.95Å; P79-S83 VanDerWaalsContact O-N 3.08Å
80L94.9Very high92.9Very high24 Ų2457.9 Ų57.913%0.12629%0.29CS..Hα-helixtrans-66.9-46.8178.3-65.9171.5000111.4I43 L61 T76 I77 L78 K82 S83 F84I43-L80 HydrophobicContact CG1-CD1 3.95Å; L61-L80 HydrophobicContact CD1-CD1 4.06Å; T76-L80 HydrophobicContact CG2-CD1 4.45Å; T76-L80 WeakPolarHBondContact O-CG 3.41Å; T76-L80 PolarHBondContact O-N 3.22Å; I77-L80 WeakPolarHBondContact O-CB 3.44Å; I77-L80 PolarHBondContact O-N 3.41Å; L78-L80 VanDerWaalsContact C-N 3.34Å; L78-L80 PolarHBondContact O-N 3.23Å; L80-K82 VanDerWaalsContact C-N 3.33Å; L80-K82 PolarHBondContact O-N 3.35Å; L80-S83 PolarHBondContact O-N 3Å; L80-F84 WeakPolarHBondContact O-CB 3.28Å; L80-F84 PolarHBondContact O-N 3.18Å
81V94.6Very high92.2Very high2 Ų255.5 Ų55.51%0.01228%0.28CS..Hα-helixtrans-57.2-48.1176.7171.20000110.3F58 L61 I77 L78 S83 F84 C85 L106 F122F58-V81 HydrophobicContact CE2-CG1 4.4Å; L61-V81 HydrophobicContact CD2-CG2 3.9Å; I77-V81 HydrophobicContact CG2-CG2 4.06Å; I77-V81 WeakPolarHBondContact O-CG2 3.35Å; I77-V81 PolarHBondContact O-N 3.01Å; L78-V81 PolarHBondContact O-N 3.45Å; V81-S83 PolarHBondContact O-N 3.11Å; V81-F84 WeakPolarHBondContact O-CB 3.33Å; V81-F84 PolarHBondContact O-N 3.24Å; V81-F84 VanDerWaalsContact O-N 3.11Å; V81-C85 PolarHBondContact O-N 2.9Å; V81-C85 PolarHBondContact O-SG 3.02Å; V81-C85 VanDerWaalsContact O-SG 3.35Å; V81-L106 HydrophobicContact CB-CD1 4.33Å; V81-L106 HydrophobicContact CG1-CD1 3.68Å; V81-L106 HydrophobicContact CG1-CD2 3.42Å; V81-L106 VanDerWaalsContact CG1-CD2 3.42Å; V81-L106 HydrophobicContact CG1-CG 4.04Å; V81-L106 HydrophobicContact CG2-CD1 3.72Å; V81-F122 HydrophobicContact CG1-CE1 3.83Å; V81-F122 HydrophobicContact CG1-CZ 3.71Å
82K93.6Very high91.6Very high38 Ų3856 Ų5617%0.16528%0.282CS..Hα-helixtrans-56-51.9177.2-79.6171.5143.9-158.80112.4L78 L80 F84 C85 E86 Q118 F122L78-K82 HydrophobicContact CD1-CD 4.16Å; L78-K82 HydrophobicContact CD1-CG 4.12Å; L78-K82 HydrophobicContact CG-CD 4.22Å; L78-K82 WeakPolarHBondContact O-CB 3.16Å; L78-K82 WeakPolarHBondContact O-CG 3.46Å; L78-K82 PolarHBondContact O-N 3.4Å; L80-K82 VanDerWaalsContact C-N 3.33Å; L80-K82 PolarHBondContact O-N 3.35Å; K82-F84 PolarHBondContact O-N 3.17Å; K82-C85 PolarHBondContact O-N 3.11Å; K82-E86 WeakPolarHBondContact O-CG 3.48Å; K82-E86 PolarHBondContact O-N 3.21Å; K82-Q118 VanDerWaalsContact NZ-CD 3.27Å; K82-F122 HydrophobicContact CG-CE2 3.71Å; K82-F122 HydrophobicContact CG-CZ 4.03Å
83S92.1Very high91.2Very high43 Ų4358.3 Ų58.330%0.30129%0.292SS..Hα-helixtrans-57.9-37.6177.2157.20000111.6P79 L80 V81 K87P79-S83 PolarHBondContact O-N 2.95Å; P79-S83 VanDerWaalsContact O-N 3.08Å; L80-S83 PolarHBondContact O-N 3Å; V81-S83 PolarHBondContact O-N 3.11Å; S83-K87 WeakPolarHBondContact O-CD 3.14Å; S83-K87 VanDerWaalsContact O-CG 3.32Å; S83-K87 WeakPolarHBondContact O-CG 3.49Å; S83-K87 PolarHBondContact O-N 3.37Å; S83-K87 PolarHBondContact OG-NZ 3.33Å
84F92.7Very high90.9Very high27 Ų2759.3 Ų59.312%0.11831%0.307CS..Hα-helixtrans-68.8-47.3177.5-168.9-92.8000111.9R54 L55 F58 L80 V81 K82 E86 K87 S88 I95 L99R54-F84 HydrophobicContact CB-CE2 4.32Å; L55-F84 HydrophobicContact CD1-CZ 3.91Å; F58-F84 HydrophobicContact CB-CD1 4.19Å; F58-F84 HydrophobicContact CB-CD2 4.22Å; F58-F84 HydrophobicContact CB-CE1 3.91Å; F58-F84 HydrophobicContact CB-CE2 3.94Å; F58-F84 HydrophobicContact CB-CG 4.34Å; F58-F84 HydrophobicContact CB-CZ 3.79Å; F58-F84 HydrophobicContact CD1-CD1 4.27Å; F58-F84 AromaticContact CD1-CE1 3.8Å; F58-F84 HydrophobicContact CD1-CE1 3.8Å; F58-F84 HydrophobicContact CD1-CZ 4.32Å; F58-F84 HydrophobicContact CD2-CB 4.27Å; F58-F84 AromaticContact CD2-CD1 3.41Å; F58-F84 HydrophobicContact CD2-CD1 3.41Å; F58-F84 VanDerWaalsContact CD2-CD1 3.41Å; F58-F84 AromaticContact CD2-CE1 3.79Å; F58-F84 HydrophobicContact CD2-CE1 3.79Å; F58-F84 AromaticContact CD2-CG 3.83Å; F58-F84 HydrophobicContact CD2-CG 3.83Å; F58-F84 HydrophobicContact CD2-CZ 4.49Å; F58-F84 HydrophobicContact CE1-CE1 4.27Å; F58-F84 AromaticContact CE2-CD1 3.78Å; F58-F84 HydrophobicContact CE2-CD1 3.78Å; F58-F84 HydrophobicContact CE2-CE1 4.25Å; F58-F84 HydrophobicContact CE2-CG 4.48Å; F58-F84 AromaticContact CG-CD1 3.68Å; F58-F84 HydrophobicContact CG-CD1 3.68Å; F58-F84 AromaticContact CG-CE1 3.54Å; F58-F84 HydrophobicContact CG-CE1 3.54Å; F58-F84 HydrophobicContact CG-CE2 4.44Å; F58-F84 HydrophobicContact CG-CG 4.21Å; F58-F84 AromaticContact CG-CZ 3.95Å; F58-F84 HydrophobicContact CG-CZ 3.95Å; F58-F84 HydrophobicContact CZ-CD1 4.35Å; F58-F84 HydrophobicContact CZ-CE1 4.48Å; L80-F84 WeakPolarHBondContact O-CB 3.28Å; L80-F84 PolarHBondContact O-N 3.18Å; V81-F84 WeakPolarHBondContact O-CB 3.33Å; V81-F84 PolarHBondContact O-N 3.24Å; V81-F84 VanDerWaalsContact O-N 3.11Å; K82-F84 PolarHBondContact O-N 3.17Å; F84-E86 PolarHBondContact O-N 3.21Å; F84-K87 PolarHBondContact O-N 3.35Å; F84-S88 PolarHBondContact O-N 2.89Å; F84-S88 VanDerWaalsContact O-N 3.07Å; F84-I95 HydrophobicContact CE1-CG2 4Å; F84-I95 HydrophobicContact CZ-CG2 3.86Å; F84-L99 HydrophobicContact CD1-CD1 3.65Å; F84-L99 HydrophobicContact CE1-CD1 3.77Å
85C92.1Very high90.7Very high6 Ų658.6 Ų58.64%0.04130%0.301CS..Hα-helixtrans-57.5-47.7175.8-700000112V81 K82 K87 S88 F125V81-C85 PolarHBondContact O-N 2.9Å; V81-C85 PolarHBondContact O-SG 3.02Å; V81-C85 VanDerWaalsContact O-SG 3.35Å; K82-C85 PolarHBondContact O-N 3.11Å; C85-K87 PolarHBondContact O-N 2.9Å; C85-S88 WeakPolarHBondContact O-CB 3.5Å; C85-S88 PolarHBondContact O-N 3.13Å; C85-S88 VanDerWaalsContact O-N 3.14Å; C85-S88 PolarHBondContact O-OG 3.47Å; C85-F125 HydrophobicContact CB-CD2 4.34Å; C85-F125 HydrophobicContact CB-CE2 4.03Å; C85-F125 HydrophobicContact CB-CZ 4.29Å; C85-F125 WeakPolarHBondContact O-CE2 3.34Å
86E89.8Confident90.7Very high137 Ų13751.8 Ų51.864%0.6427%0.269SS*.Hα-helixtrans-60.1-33.5-179.3-73.8170.4-177.200113.1K82 F84K82-E86 WeakPolarHBondContact O-CG 3.48Å; K82-E86 PolarHBondContact O-N 3.21Å; F84-E86 PolarHBondContact O-N 3.21Å
87K89.8Confident90.7Very high134 Ų13452.3 Ų52.358%0.58327%0.269SS*.Hα-helixtrans-85.6-20.5180-68.3168.9-176.4160.10112.9S83 F84 C85 F89 K90S83-K87 WeakPolarHBondContact O-CD 3.14Å; S83-K87 VanDerWaalsContact O-CG 3.32Å; S83-K87 WeakPolarHBondContact O-CG 3.49Å; S83-K87 PolarHBondContact O-N 3.37Å; S83-K87 PolarHBondContact OG-NZ 3.33Å; F84-K87 PolarHBondContact O-N 3.35Å; C85-K87 PolarHBondContact O-N 2.9Å; K87-F89 PolarHBondContact O-N 3.4Å; K87-K90 PolarHBondContact O-N 3.44Å; K87-K90 VanDerWaalsContact O-N 3.16Å
88S88.7Confident90.6Very high1 Ų152.9 Ų52.91%0.00727%0.273CS..Hα-helixtrans-62.5-38.1-169.666.80000114.2F84 C85 K90 A91F84-S88 PolarHBondContact O-N 2.89Å; F84-S88 VanDerWaalsContact O-N 3.07Å; C85-S88 WeakPolarHBondContact O-CB 3.5Å; C85-S88 PolarHBondContact O-N 3.13Å; C85-S88 VanDerWaalsContact O-N 3.14Å; C85-S88 PolarHBondContact O-OG 3.47Å; S88-K90 PolarHBondContact O-N 3.35Å; S88-A91 WeakPolarHBondContact O-CB 3.44Å; S88-A91 PolarHBondContact O-N 3.34Å
89F84.8Confident90.6Very high58 Ų5852.6 Ų52.625%0.25427%0.272SS..THydrogen-bonded Turntrans-67.1-16.4179.1-76.7-68.2000114.7K87 L96 F125 K128 L129 L132K87-F89 PolarHBondContact O-N 3.4Å; F89-L96 HydrophobicContact CD1-CD2 4.12Å; F89-L96 HydrophobicContact CE1-CD2 4.33Å; F89-F125 HydrophobicContact CD2-CD2 4.32Å; F89-F125 AromaticContact CD2-CE2 3.78Å; F89-F125 HydrophobicContact CD2-CE2 3.78Å; F89-F125 AromaticContact CE2-CD2 3.46Å; F89-F125 HydrophobicContact CE2-CD2 3.46Å; F89-F125 VanDerWaalsContact CE2-CD2 3.46Å; F89-F125 AromaticContact CE2-CE2 3.16Å; F89-F125 HydrophobicContact CE2-CE2 3.16Å; F89-F125 HydrophobicContact CE2-CG 4.48Å; F89-F125 AromaticContact CE2-CZ 3.98Å; F89-F125 HydrophobicContact CE2-CZ 3.98Å; F89-F125 HydrophobicContact CZ-CD2 4.2Å; F89-F125 AromaticContact CZ-CE2 3.85Å; F89-F125 HydrophobicContact CZ-CE2 3.85Å; F89-F125 HydrophobicContact CZ-CZ 4.27Å; F89-K128 HydrophobicContact CE1-CD 4Å; F89-K128 HydrophobicContact CE1-CG 4.08Å; F89-K128 HydrophobicContact CE2-CD 3.78Å; F89-K128 HydrophobicContact CE2-CG 4.46Å; F89-K128 HydrophobicContact CZ-CB 4.18Å; F89-K128 HydrophobicContact CZ-CD 3.49Å; F89-K128 VanDerWaalsContact CZ-CD 3.49Å; F89-K128 HydrophobicContact CZ-CG 3.71Å; F89-L129 HydrophobicContact CE1-CD2 3.76Å; F89-L129 HydrophobicContact CZ-CD2 3.76Å; F89-L129 HydrophobicContact CZ-CG 4.28Å; F89-L132 HydrophobicContact CD1-CD1 4.46Å; F89-L132 HydrophobicContact CE1-CD1 4.03Å
90K82.3Confident90.7Very high196 Ų19649.5 Ų49.585%0.85225%0.252SS*.THydrogen-bonded Turntrans-96.5-0.7175.4-62.8-179.5-179.2176.60112.3K87 S88K87-K90 PolarHBondContact O-N 3.44Å; K87-K90 VanDerWaalsContact O-N 3.16Å; S88-K90 PolarHBondContact O-N 3.35Å
91A79.6Confident90.8Very high42 Ų4253 Ų5335%0.34727%0.266SS..SBendtrans-104.2-178-173.400000111.6S88 I95S88-A91 WeakPolarHBondContact O-CB 3.44Å; S88-A91 PolarHBondContact O-N 3.34Å; A91-I95 HydrophobicContact CB-CB 4.38Å; A91-I95 HydrophobicContact CB-CD1 3.44Å; A91-I95 VanDerWaalsContact CB-CD1 3.44Å; A91-I95 HydrophobicContact CB-CG1 4.49Å; A91-I95 HydrophobicContact CB-CG2 4.49Å
92D83.8Confident90.9Very high121 Ų12153.9 Ų53.965%0.64727%0.27SS*.  trans-64.5151.8179.8-62.8-42000112.3S94 I95D92-S94 PolarHBondContact O-N 3.36Å; D92-S94 VanDerWaalsContact O-N 3.15Å; D92-I95 WeakPolarHBondContact O-CB 3.48Å; D92-I95 PolarHBondContact O-N 2.94Å
93E87.6Confident91Very high65 Ų6552.1 Ų52.130%0.30426%0.263SS..Hα-helixtrans-53.5-36.2179.7-175.8-16914500113I95 L96 I97 K155 Y156E93-I95 PolarHBondContact O-N 3.27Å; E93-L96 PolarHBondContact O-N 3.09Å; E93-I97 HydrophobicContact CG-CD1 4.05Å; E93-I97 HydrophobicContact CG-CG1 4.4Å; E93-I97 WeakPolarHBondContact O-CG1 3.49Å; E93-I97 PolarHBondContact O-N 2.66Å; E93-K155 HydrophobicContact CG-CG 4.49Å; E93-K155 WeakPolarHBondContact OE2-CE 3.47Å; E93-K155 WeakPolarHBondContact OE2-CG 3.45Å; E93-Y156 HydrophobicContact CG-CD1 4.39Å; E93-Y156 HydrophobicContact CG-CE1 4.24Å
94S89.3Confident91.2Very high67 Ų6750.1 Ų50.147%0.46925%0.249SC..Hα-helixtrans-57.4-34178570000113.1D92 I97 S98D92-S94 PolarHBondContact O-N 3.36Å; D92-S94 VanDerWaalsContact O-N 3.15Å; S94-I97 PolarHBondContact O-N 3.36Å; S94-S98 PolarHBondContact O-N 2.97Å
95I92Very high91.3Very high13 Ų1353 Ų537%0.06726%0.261CS..Hα-helixtrans-69-42.2176.8-69.1163.5000110.1L55 F84 A91 D92 E93 I97 L99L55-I95 HydrophobicContact CD1-CG1 4.38Å; L55-I95 HydrophobicContact CD2-CG1 4.47Å; F84-I95 HydrophobicContact CE1-CG2 4Å; F84-I95 HydrophobicContact CZ-CG2 3.86Å; A91-I95 HydrophobicContact CB-CB 4.38Å; A91-I95 HydrophobicContact CB-CD1 3.44Å; A91-I95 VanDerWaalsContact CB-CD1 3.44Å; A91-I95 HydrophobicContact CB-CG1 4.49Å; A91-I95 HydrophobicContact CB-CG2 4.49Å; D92-I95 WeakPolarHBondContact O-CB 3.48Å; D92-I95 PolarHBondContact O-N 2.94Å; E93-I95 PolarHBondContact O-N 3.27Å; I95-I97 VanDerWaalsContact C-N 3.34Å; I95-L99 WeakPolarHBondContact O-CB 3.47Å; I95-L99 PolarHBondContact O-N 3.25Å
96L94.3Very high91.5Very high3 Ų352.7 Ų52.72%0.01626%0.259CS..Hα-helixtrans-66.9-36.3176.6-65.9174.2000111.7F89 E93 S100 L129 L132 Y156 V159F89-L96 HydrophobicContact CD1-CD2 4.12Å; F89-L96 HydrophobicContact CE1-CD2 4.33Å; E93-L96 PolarHBondContact O-N 3.09Å; L96-S100 WeakPolarHBondContact O-CB 3.47Å; L96-S100 PolarHBondContact O-N 2.97Å; L96-S100 PolarHBondContact O-OG 3.47Å; L96-L129 HydrophobicContact CD2-CD2 4.08Å; L96-L132 HydrophobicContact CD1-CD2 3.87Å; L96-Y156 HydrophobicContact CD1-CE1 4.05Å; L96-V159 HydrophobicContact CB-CG2 3.91Å
97I95.6Very high91.8Very high51 Ų5146.2 Ų46.226%0.26223%0.229SC..Hα-helixtrans-62.2-53.3175.3-67.8170.3000110.4E93 S94 I95 S100 F101 V159 N162E93-I97 HydrophobicContact CG-CD1 4.05Å; E93-I97 HydrophobicContact CG-CG1 4.4Å; E93-I97 WeakPolarHBondContact O-CG1 3.49Å; E93-I97 PolarHBondContact O-N 2.66Å; S94-I97 PolarHBondContact O-N 3.36Å; I95-I97 VanDerWaalsContact C-N 3.34Å; I97-S100 PolarHBondContact O-N 3.42Å; I97-S100 PolarHBondContact O-OG 3.32Å; I97-F101 WeakPolarHBondContact O-CB 3.42Å; I97-F101 PolarHBondContact O-N 3.22Å; I97-V159 HydrophobicContact CG1-CG2 3.93Å; I97-N162 PolarHBondContact O-ND2 3.28Å
98S94.5Very high92Very high12 Ų1245.6 Ų45.68%0.08423%0.228CC..Hα-helixtrans-66.3-42.5-179168.90000111.9E59 S94 S100 F101 H102E59-S98 WeakPolarHBondContact CG-OG 3.23Å; E59-S98 WeakPolarHBondContact OE1-CB 3.36Å; E59-S98 PolarHBondContact OE1-OG 3.12Å; S94-S98 PolarHBondContact O-N 2.97Å; S98-S100 PolarHBondContact O-N 3.42Å; S98-F101 WeakPolarHBondContact O-CB 3.42Å; S98-F101 PolarHBondContact O-N 3.38Å; S98-H102 PolarHBondContact O-CD2 2.91Å; S98-H102 VanDerWaalsContact O-CD2 3.28Å; S98-H102 PolarHBondContact O-N 3.38Å; S98-H102 VanDerWaalsContact O-N 3.1Å
99L95Very high92.2Very high0 Ų045.9 Ų45.90%023%0.231CC..Hα-helixtrans-61.8-46.4177.2-173.9147.7000112.1F58 F84 I95 F101 H102 L103 F125 L129F58-L99 HydrophobicContact CE1-CB 4.32Å; F58-L99 HydrophobicContact CE1-CG 4.29Å; F58-L99 HydrophobicContact CZ-CD1 4.22Å; F58-L99 HydrophobicContact CZ-CG 4.04Å; F84-L99 HydrophobicContact CD1-CD1 3.65Å; F84-L99 HydrophobicContact CE1-CD1 3.77Å; I95-L99 WeakPolarHBondContact O-CB 3.47Å; I95-L99 PolarHBondContact O-N 3.25Å; L99-F101 PolarHBondContact O-N 2.85Å; L99-H102 PolarHBondContact O-N 2.85Å; L99-L103 WeakPolarHBondContact O-CB 3.37Å; L99-L103 PolarHBondContact O-N 3.16Å; L99-F125 HydrophobicContact CD1-CZ 4.29Å; L99-F125 HydrophobicContact CD2-CD1 4.45Å; L99-F125 HydrophobicContact CD2-CE1 3.2Å; L99-F125 HydrophobicContact CD2-CZ 3.39Å; L99-L129 HydrophobicContact CD2-CD1 4Å
100S97Very high92.6Very high0 Ų043.1 Ų43.10%022%0.219CC..Hα-helixtrans-63.7-30.3177.359.10000112.6L96 I97 S98 N162 N166L96-S100 WeakPolarHBondContact O-CB 3.47Å; L96-S100 PolarHBondContact O-N 2.97Å; L96-S100 PolarHBondContact O-OG 3.47Å; I97-S100 PolarHBondContact O-N 3.42Å; I97-S100 PolarHBondContact O-OG 3.32Å; S98-S100 PolarHBondContact O-N 3.42Å; S100-N162 WeakPolarHBondContact OG-CB 3.35Å; S100-N162 PolarHBondContact OG-ND2 3.04Å; S100-N166 PolarHBondContact O-ND2 3.13Å
101F97.4Very high93Very high97 Ų9740 Ų4043%0.42520%0.203SC..Hα-helixtrans-66.8-42.9174.6-178.2-109.2000111.7I97 S98 L99 N162 Y165 N166I97-F101 WeakPolarHBondContact O-CB 3.42Å; I97-F101 PolarHBondContact O-N 3.22Å; S98-F101 WeakPolarHBondContact O-CB 3.42Å; S98-F101 PolarHBondContact O-N 3.38Å; L99-F101 PolarHBondContact O-N 2.85Å; F101-N162 HydrophobicContact CB-CB 4.49Å; F101-Y165 HydrophobicContact CE2-CE1 4.43Å; F101-N166 PolarHBondContact O-ND2 3.38Å
102H96.3Very high93.6Very high21 Ų2141.4 Ų41.410%0.09722%0.222CC..Hα-helixtrans-86.4-8.8-175.8-75.7-65.5000115F58 V62 S98 L99 G104 K105 L106F58-H102 HydrophobicContact CE1-CB 4.13Å; V62-H102 HydrophobicContact CG1-CB 4.12Å; V62-H102 HydrophobicContact CG2-CB 4.43Å; S98-H102 PolarHBondContact O-CD2 2.91Å; S98-H102 VanDerWaalsContact O-CD2 3.28Å; S98-H102 PolarHBondContact O-N 3.38Å; S98-H102 VanDerWaalsContact O-N 3.1Å; L99-H102 PolarHBondContact O-N 2.85Å; H102-G104 PolarHBondContact O-N 3.18Å; H102-K105 PolarHBondContact O-N 2.88Å; H102-L106 WeakPolarHBondContact O-CB 3.31Å; H102-L106 PolarHBondContact O-N 3.15Å
103L96.4Very high94.1Very high0 Ų037 Ų370%020%0.198CC..Hα-helixtrans-61-41.1-169.7-173.253.5000114L99 L106 C107 F122 F125 Y126 L129L99-L103 WeakPolarHBondContact O-CB 3.37Å; L99-L103 PolarHBondContact O-N 3.16Å; L103-L106 HydrophobicContact CD1-CD2 4.14Å; L103-L106 PolarHBondContact O-N 3.48Å; L103-C107 WeakPolarHBondContact O-CB 3.45Å; L103-C107 PolarHBondContact O-N 3.31Å; L103-C107 PolarHBondContact O-SG 2.97Å; L103-C107 VanDerWaalsContact O-SG 3.34Å; L103-F122 HydrophobicContact CD1-CD1 4.36Å; L103-F125 HydrophobicContact CD2-CD1 4.08Å; L103-F125 HydrophobicContact CD2-CE1 4.15Å; L103-Y126 HydrophobicContact CD2-CD2 3.76Å; L103-Y126 HydrophobicContact CD2-CG 4.39Å; L103-Y126 HydrophobicContact CG-CD2 4.49Å; L103-L129 HydrophobicContact CD2-CD1 3.81Å
104G95.9Very high94.4Very high1 Ų135 Ų351%0.0119%0.188CC..Hα-helixtrans-62.2-47.8177.200000112.4H102 L106 C107 H108 N166H102-G104 PolarHBondContact O-N 3.18Å; G104-L106 VanDerWaalsContact C-N 3.32Å; G104-L106 PolarHBondContact O-N 3.41Å; G104-C107 PolarHBondContact O-N 3.39Å; G104-H108 WeakPolarHBondContact O-CB 3.25Å; G104-H108 PolarHBondContact O-N 3.21Å; G104-N166 PolarHBondContact N-ND2 3.02Å; G104-N166 PolarHBondContact N-OD1 3.34Å
105K95.7Very high94.6Very high88 Ų8835 Ų3538%0.38319%0.185SC..Hα-helixtrans-60.3-42.2176-179.4173.1178.1176.50111.8V62 N63 H102 H108 G109V62-K105 HydrophobicContact CG1-CB 4.24Å; V62-K105 HydrophobicContact CG1-CD 4.01Å; V62-K105 HydrophobicContact CG1-CG 3.95Å; V62-K105 WeakPolarHBondContact O-CE 3.38Å; N63-K105 PolarHBondContact OD1-NZ 3.37Å; H102-K105 PolarHBondContact O-N 2.88Å; K105-H108 PolarHBondContact O-N 3.44Å; K105-G109 PolarHBondContact O-N 3.43Å
106L96.1Very high94.8Very high0 Ų039.9 Ų39.90%022%0.218CC..Hα-helixtrans-62.5-49.9177.3171.868000112.1F58 V62 L65 V81 H102 L103 G104 H108 G109 L110 F122F58-L106 HydrophobicContact CE2-CD2 4.33Å; F58-L106 HydrophobicContact CZ-CD2 4.19Å; V62-L106 HydrophobicContact CG1-CB 4.32Å; V62-L106 HydrophobicContact CG2-CB 4.36Å; V62-L106 HydrophobicContact CG2-CD1 4.14Å; L65-L106 HydrophobicContact CD1-CD1 4.12Å; V81-L106 HydrophobicContact CB-CD1 4.33Å; V81-L106 HydrophobicContact CG1-CD1 3.68Å; V81-L106 HydrophobicContact CG1-CD2 3.42Å; V81-L106 VanDerWaalsContact CG1-CD2 3.42Å; V81-L106 HydrophobicContact CG1-CG 4.04Å; V81-L106 HydrophobicContact CG2-CD1 3.72Å; H102-L106 WeakPolarHBondContact O-CB 3.31Å; H102-L106 PolarHBondContact O-N 3.15Å; L103-L106 HydrophobicContact CD1-CD2 4.14Å; L103-L106 PolarHBondContact O-N 3.48Å; G104-L106 VanDerWaalsContact C-N 3.32Å; G104-L106 PolarHBondContact O-N 3.41Å; L106-H108 VanDerWaalsContact C-N 3.3Å; L106-H108 PolarHBondContact O-N 2.93Å; L106-G109 PolarHBondContact O-N 2.89Å; L106-L110 HydrophobicContact CD1-CD1 3.51Å; L106-L110 HydrophobicContact CD1-CG 4.24Å; L106-L110 HydrophobicContact CG-CD1 4.32Å; L106-L110 WeakPolarHBondContact O-CB 3.39Å; L106-L110 PolarHBondContact O-N 2.9Å; L106-L110 VanDerWaalsContact O-N 3.1Å; L106-F122 HydrophobicContact CD2-CE1 4.09Å
107C95.8Very high94.8Very high0 Ų043.9 Ų43.90%024%0.239CC..Hα-helixtrans-61.2-39.1177.9-740000111.9L103 G104 Y111 M170 F173L103-C107 WeakPolarHBondContact O-CB 3.45Å; L103-C107 PolarHBondContact O-N 3.31Å; L103-C107 PolarHBondContact O-SG 2.97Å; L103-C107 VanDerWaalsContact O-SG 3.34Å; G104-C107 PolarHBondContact O-N 3.39Å; C107-Y111 PolarHBondContact O-N 3.21Å; C107-Y111 VanDerWaalsContact O-N 3.16Å; C107-M170 HydrophobicContact CB-SD 4.04Å; C107-F173 HydrophobicContact CB-CB 4.41Å; C107-F173 HydrophobicContact CB-CD2 3.63Å; C107-F173 HydrophobicContact CB-CE2 3.96Å; C107-F173 HydrophobicContact CB-CG 3.97Å
108H93.7Very high94.7Very high122 Ų12243 Ų4357%0.56523%0.234SC*.Hα-helixtrans-67.2-50.8175.1-176.778.8000112.4G104 K105 L106 L110 Y111G104-H108 WeakPolarHBondContact O-CB 3.25Å; G104-H108 PolarHBondContact O-N 3.21Å; K105-H108 PolarHBondContact O-N 3.44Å; L106-H108 VanDerWaalsContact C-N 3.3Å; L106-H108 PolarHBondContact O-N 2.93Å; H108-L110 PolarHBondContact O-N 2.88Å; H108-Y111 WeakPolarHBondContact O-CB 3.45Å; H108-Y111 PolarHBondContact O-N 2.94Å
109G93.4Very high94.7Very high7 Ų744.6 Ų44.67%0.07224%0.24CC..Hα-helixtrans-67.2-18.6-176.800000114.5R73 K105 L106R73-G109 PolarHBondContact NH1-O 2.85Å; K105-G109 PolarHBondContact O-N 3.43Å; L106-G109 PolarHBondContact O-N 2.89Å
110L94Very high94.8Very high0 Ų048.7 Ų48.70%026%0.261CS..THydrogen-bonded Turntrans-105.97.8173.9-63.3178.6000113.1L65 R73 L78 L106 H108 I113 F114L65-L110 HydrophobicContact CD2-CD2 3.78Å; L65-L110 HydrophobicContact CD2-CG 4.15Å; R73-L110 HydrophobicContact CB-CD2 3.92Å; R73-L110 HydrophobicContact CG-CD2 4.28Å; L78-L110 HydrophobicContact CB-CD1 4.5Å; L78-L110 HydrophobicContact CD1-CD1 4.08Å; L106-L110 HydrophobicContact CD1-CD1 3.51Å; L106-L110 HydrophobicContact CD1-CG 4.24Å; L106-L110 HydrophobicContact CG-CD1 4.32Å; L106-L110 WeakPolarHBondContact O-CB 3.39Å; L106-L110 PolarHBondContact O-N 2.9Å; L106-L110 VanDerWaalsContact O-N 3.1Å; H108-L110 PolarHBondContact O-N 2.88Å; L110-I113 HydrophobicContact CD2-CD1 4.15Å; L110-I113 VanDerWaalsContact O-CB 3.28Å; L110-I113 WeakPolarHBondContact O-CB 3.21Å; L110-I113 PolarHBondContact O-N 3.37Å; L110-I113 VanDerWaalsContact O-N 3.09Å; L110-F114 HydrophobicContact CB-CD2 4.23Å; L110-F114 HydrophobicContact CB-CE1 4.48Å; L110-F114 HydrophobicContact CB-CE2 3.36Å; L110-F114 HydrophobicContact CB-CZ 3.53Å; L110-F114 HydrophobicContact CD1-CZ 3.96Å; L110-F114 HydrophobicContact CG-CZ 4.41Å; L110-F114 WeakPolarHBondContact O-CD2 3.49Å; L110-F114 VanDerWaalsContact O-CE2 3.27Å; L110-F114 WeakPolarHBondContact O-CE2 3.33Å
111Y90.4Very high94.7Very high130 Ų13054 Ų5451%0.5128%0.282SS..THydrogen-bonded Turntrans-58.5141.2177.3-174.5-94.8000111C107 H108 I113 F173C107-Y111 PolarHBondContact O-N 3.21Å; C107-Y111 VanDerWaalsContact O-N 3.16Å; H108-Y111 WeakPolarHBondContact O-CB 3.45Å; H108-Y111 PolarHBondContact O-N 2.94Å; Y111-I113 PolarHBondContact O-N 3.42Å; Y111-F173 HydrophobicContact CD2-CD2 4.38Å
112G90.8Very high94.6Very high72 Ų7249.9 Ų49.974%0.74226%0.263SS*.THydrogen-bonded Turntrans76.5-8.2-175.200000115.3
113I94.1Very high94.6Very high28 Ų2849 Ų4914%0.14426%0.259CS..THydrogen-bonded Turntrans-94.4-31.9177.3-57-176.3000111.6T70 R73 S74 L78 L110 Y111T70-I113 HydrophobicContact CG2-CD1 4.48Å; T70-I113 HydrophobicContact CG2-CG1 4.38Å; R73-I113 HydrophobicContact CB-CD1 3.26Å; R73-I113 HydrophobicContact CG-CD1 4.11Å; S74-I113 VanDerWaalsContact CB-CG2 3.44Å; L78-I113 HydrophobicContact CD2-CG2 4.04Å; L110-I113 HydrophobicContact CD2-CD1 4.15Å; L110-I113 VanDerWaalsContact O-CB 3.28Å; L110-I113 WeakPolarHBondContact O-CB 3.21Å; L110-I113 PolarHBondContact O-N 3.37Å; L110-I113 VanDerWaalsContact O-N 3.09Å; Y111-I113 PolarHBondContact O-N 3.42Å
114F93.9Very high94.7Very high23 Ų2353.4 Ų53.410%0.10128%0.28CS..SBendtrans-62.1136.5179.7-64.2-77.5000111.8L78 L110 Q118 H119 F122 F173L78-F114 HydrophobicContact CD1-CD1 3.84Å; L78-F114 HydrophobicContact CD1-CE1 3.39Å; L78-F114 HydrophobicContact CD1-CZ 4.24Å; L78-F114 HydrophobicContact CD2-CD1 4.29Å; L110-F114 HydrophobicContact CB-CD2 4.23Å; L110-F114 HydrophobicContact CB-CE1 4.48Å; L110-F114 HydrophobicContact CB-CE2 3.36Å; L110-F114 HydrophobicContact CB-CZ 3.53Å; L110-F114 HydrophobicContact CD1-CZ 3.96Å; L110-F114 HydrophobicContact CG-CZ 4.41Å; L110-F114 WeakPolarHBondContact O-CD2 3.49Å; L110-F114 VanDerWaalsContact O-CE2 3.27Å; L110-F114 WeakPolarHBondContact O-CE2 3.33Å; F114-Q118 HydrophobicContact CB-CB 4.24Å; F114-Q118 HydrophobicContact CD1-CB 3.94Å; F114-H119 HydrophobicContact CB-CB 4.11Å; F114-F122 HydrophobicContact CD1-CD2 4.21Å; F114-F122 HydrophobicContact CD1-CE2 4.42Å; F114-F122 HydrophobicContact CE1-CD1 4.37Å; F114-F122 AromaticContact CE1-CD2 3.62Å; F114-F122 HydrophobicContact CE1-CD2 3.62Å; F114-F122 HydrophobicContact CE1-CE1 4.42Å; F114-F122 AromaticContact CE1-CE2 3.66Å; F114-F122 HydrophobicContact CE1-CE2 3.66Å; F114-F122 AromaticContact CE1-CG 3.99Å; F114-F122 HydrophobicContact CE1-CG 3.99Å; F114-F122 HydrophobicContact CE1-CZ 4.08Å; F114-F122 HydrophobicContact CZ-CD1 4.46Å; F114-F122 HydrophobicContact CZ-CD2 4.44Å; F114-F122 HydrophobicContact CZ-CG 4.38Å; F114-F173 AromaticContact CD2-CE2 3.69Å; F114-F173 HydrophobicContact CD2-CE2 3.69Å; F114-F173 HydrophobicContact CD2-CZ 4.21Å; F114-F173 AromaticContact CE2-CE2 3.56Å; F114-F173 HydrophobicContact CE2-CE2 3.56Å; F114-F173 HydrophobicContact CE2-CZ 4.17Å; F114-F173 HydrophobicContact CZ-CE2 4.32Å
115T95.1Very high94.7Very high66 Ų6654.5 Ų54.541%0.40528%0.284SS..  trans-71.2159.4159.677.30000109.9D117 Q118 H119T115-D117 VanDerWaalsContact C-N 3.27Å; T115-D117 PolarHBondContact O-N 3.24Å; T115-Q118 WeakPolarHBondContact O-CA 3.44Å; T115-Q118 WeakPolarHBondContact O-CB 3.36Å; T115-Q118 PolarHBondContact O-N 2.97Å; T115-Q118 WeakPolarHBondContact OG1-CG 3.43Å; T115-Q118 PolarHBondContact OG1-N 2.85Å; T115-H119 PolarHBondContact O-N 3.35Å
116P94.6Very high94.8Very high117 Ų11750.3 Ų50.376%0.7627%0.266SS*.Hα-helixtrans-54.3-41.6-178.3-28.835.8000114Q118 H119 L120P116-Q118 VanDerWaalsContact C-N 3.34Å; P116-Q118 PolarHBondContact O-N 3.07Å; P116-H119 WeakPolarHBondContact O-CB 3.25Å; P116-H119 PolarHBondContact O-N 3.46Å; P116-L120 PolarHBondContact O-N 3.48Å
117D94.8Very high94.9Very high86 Ų8652.1 Ų52.146%0.4627%0.274SS..Hα-helixtrans-69.9-30.2177.8160.473.2000112.6T115 R121T115-D117 VanDerWaalsContact C-N 3.27Å; T115-D117 PolarHBondContact O-N 3.24Å; D117-R121 WeakPolarHBondContact O-CG 3.48Å; D117-R121 PolarHBondContact O-N 3.31Å; D117-R121 IonicContact OD1-CZ 2.9Å; D117-R121 IonicContact OD1-NH1 3.87Å; D117-R121 PolarHBondContact OD1-NH1 2.76Å; D117-R121 IonicContact OD2-CZ 2.85Å; D117-R121 IonicContact OD2-NH1 3.21Å; D117-R121 PolarHBondContact OD2-NH1 3.46Å; D117-R121 IonicContact OD2-NH2 3.61Å; D117-R121 PolarHBondContact OD2-NH2 3.11Å
118Q94.4Very high94.9Very high32 Ų3257.2 Ų57.215%0.1530%0.296CS..Hα-helixtrans-72.8-41.2173.2-62.1173-11.400111.3K82 F114 T115 P116 L120 R121 F122K82-Q118 VanDerWaalsContact NZ-CD 3.27Å; F114-Q118 HydrophobicContact CB-CB 4.24Å; F114-Q118 HydrophobicContact CD1-CB 3.94Å; T115-Q118 WeakPolarHBondContact O-CA 3.44Å; T115-Q118 WeakPolarHBondContact O-CB 3.36Å; T115-Q118 PolarHBondContact O-N 2.97Å; T115-Q118 WeakPolarHBondContact OG1-CG 3.43Å; T115-Q118 PolarHBondContact OG1-N 2.85Å; P116-Q118 VanDerWaalsContact C-N 3.34Å; P116-Q118 PolarHBondContact O-N 3.07Å; Q118-L120 VanDerWaalsContact C-N 3.35Å; Q118-L120 PolarHBondContact O-N 3.17Å; Q118-R121 PolarHBondContact O-N 2.75Å; Q118-F122 WeakPolarHBondContact O-CD2 3.47Å; Q118-F122 PolarHBondContact O-N 3.28Å
119H95.1Very high95Very high47 Ų4751.4 Ų51.422%0.21827%0.269CS..Hα-helixtrans-56.2-50.8176.2-173.1-69.5000110.8F114 T115 P116 R121 F122 L123 F173F114-H119 HydrophobicContact CB-CB 4.11Å; T115-H119 PolarHBondContact O-N 3.35Å; P116-H119 WeakPolarHBondContact O-CB 3.25Å; P116-H119 PolarHBondContact O-N 3.46Å; H119-R121 PolarHBondContact O-N 2.99Å; H119-F122 PolarHBondContact O-N 3.28Å; H119-L123 PolarHBondContact O-N 3.09Å; H119-F173 HydrophobicContact CB-CZ 4.45Å; H119-F173 AromaticContact CD2-CE1 3.85Å; H119-F173 AromaticContact CD2-CE2 3.65Å; H119-F173 AromaticContact CD2-CZ 3.46Å; H119-F173 VanDerWaalsContact CD2-CZ 3.46Å; H119-F173 WeakPolarHBondContact CD2-CZ 3.14Å; H119-F173 AromaticContact CE1-CD1 3.66Å; H119-F173 AromaticContact CE1-CE1 3.46Å; H119-F173 VanDerWaalsContact CE1-CE1 3.46Å; H119-F173 WeakPolarHBondContact CE1-CE1 3.3Å; H119-F173 AromaticContact CE1-CZ 3.91Å; H119-F173 PolarHBondContact CE1-O 3.19Å; H119-F173 AromaticContact CG-CE1 3.99Å; H119-F173 AromaticContact CG-CZ 3.78Å; H119-F173 AromaticContact ND1-CE1 3.78Å; H119-F173 AromaticContact NE2-CD1 3.64Å; H119-F173 AromaticContact NE2-CD2 3.85Å; H119-F173 AromaticContact NE2-CE1 3.51Å; H119-F173 AromaticContact NE2-CE2 3.71Å; H119-F173 AromaticContact NE2-CG 3.83Å; H119-F173 AromaticContact NE2-CZ 3.55Å; H119-F173 PolarHBondContact NE2-O 3.29Å
120L95.3Very high95.3Very high86 Ų8651.1 Ų51.145%0.4527%0.266SS..Hα-helixtrans-57.9-45.1175.5-179.160.8000112.4P116 Q118 F122 L123 E124P116-L120 PolarHBondContact O-N 3.48Å; Q118-L120 VanDerWaalsContact C-N 3.35Å; Q118-L120 PolarHBondContact O-N 3.17Å; L120-F122 VanDerWaalsContact C-N 3.33Å; L120-F122 PolarHBondContact O-N 3.04Å; L120-L123 WeakPolarHBondContact O-CB 3.2Å; L120-L123 PolarHBondContact O-N 3.39Å; L120-E124 HydrophobicContact CD1-CG 4.2Å; L120-E124 HydrophobicContact CG-CG 4.47Å; L120-E124 WeakPolarHBondContact O-CG 3.2Å; L120-E124 PolarHBondContact O-N 2.95Å
121R95.2Very high95.3Very high112 Ų11254.1 Ų54.142%0.42328%0.284SS..Hα-helixtrans-61.2-39178.4-80.2-166.3-71.2-97.9-0113.3D117 Q118 H119 F125D117-R121 WeakPolarHBondContact O-CG 3.48Å; D117-R121 PolarHBondContact O-N 3.31Å; D117-R121 IonicContact OD1-CZ 2.9Å; D117-R121 IonicContact OD1-NH1 3.87Å; D117-R121 PolarHBondContact OD1-NH1 2.76Å; D117-R121 IonicContact OD2-CZ 2.85Å; D117-R121 IonicContact OD2-NH1 3.21Å; D117-R121 PolarHBondContact OD2-NH1 3.46Å; D117-R121 IonicContact OD2-NH2 3.61Å; D117-R121 PolarHBondContact OD2-NH2 3.11Å; Q118-R121 PolarHBondContact O-N 2.75Å; H119-R121 PolarHBondContact O-N 2.99Å; R121-F125 VanDerWaalsContact O-CB 3.25Å; R121-F125 WeakPolarHBondContact O-CB 3.45Å; R121-F125 PolarHBondContact O-N 2.8Å
122F95.9Very high95.5Very high9 Ų949 Ų494%0.03927%0.266CS..Hα-helixtrans-70.5-36.4176.7-90.3-98.3000112.1L78 V81 K82 L103 L106 F114 Q118 H119 L120 F125 Y126 F173L78-F122 HydrophobicContact CD1-CE2 4.23Å; L78-F122 HydrophobicContact CD1-CZ 4.36Å; V81-F122 HydrophobicContact CG1-CE1 3.83Å; V81-F122 HydrophobicContact CG1-CZ 3.71Å; K82-F122 HydrophobicContact CG-CE2 3.71Å; K82-F122 HydrophobicContact CG-CZ 4.03Å; L103-F122 HydrophobicContact CD1-CD1 4.36Å; L106-F122 HydrophobicContact CD2-CE1 4.09Å; F114-F122 HydrophobicContact CD1-CD2 4.21Å; F114-F122 HydrophobicContact CD1-CE2 4.42Å; F114-F122 HydrophobicContact CE1-CD1 4.37Å; F114-F122 AromaticContact CE1-CD2 3.62Å; F114-F122 HydrophobicContact CE1-CD2 3.62Å; F114-F122 HydrophobicContact CE1-CE1 4.42Å; F114-F122 AromaticContact CE1-CE2 3.66Å; F114-F122 HydrophobicContact CE1-CE2 3.66Å; F114-F122 AromaticContact CE1-CG 3.99Å; F114-F122 HydrophobicContact CE1-CG 3.99Å; F114-F122 HydrophobicContact CE1-CZ 4.08Å; F114-F122 HydrophobicContact CZ-CD1 4.46Å; F114-F122 HydrophobicContact CZ-CD2 4.44Å; F114-F122 HydrophobicContact CZ-CG 4.38Å; Q118-F122 WeakPolarHBondContact O-CD2 3.47Å; Q118-F122 PolarHBondContact O-N 3.28Å; H119-F122 PolarHBondContact O-N 3.28Å; L120-F122 VanDerWaalsContact C-N 3.33Å; L120-F122 PolarHBondContact O-N 3.04Å; F122-F125 WeakPolarHBondContact O-CB 3.47Å; F122-F125 PolarHBondContact O-N 3.41Å; F122-Y126 PolarHBondContact O-N 3.25Å; F122-F173 HydrophobicContact CB-CE1 4.28Å; F122-F173 HydrophobicContact CB-CZ 4.06Å
123L97.1Very high95.5Very high3 Ų346.5 Ų46.52%0.01624%0.24CC..Hα-helixtrans-63.1-48.4172.9177.558.7000111.8H119 L120 F125 Y126 K127 M170 F173 V174 E182 L183H119-L123 PolarHBondContact O-N 3.09Å; L120-L123 WeakPolarHBondContact O-CB 3.2Å; L120-L123 PolarHBondContact O-N 3.39Å; L123-F125 VanDerWaalsContact C-N 3.27Å; L123-F125 PolarHBondContact O-N 3.36Å; L123-Y126 WeakPolarHBondContact O-CB 3.37Å; L123-Y126 PolarHBondContact O-N 2.88Å; L123-Y126 VanDerWaalsContact O-N 3.11Å; L123-K127 HydrophobicContact CD1-CD 4.5Å; L123-K127 HydrophobicContact CD1-CG 4.37Å; L123-K127 HydrophobicContact CG-CD 4.27Å; L123-K127 WeakPolarHBondContact O-CG 3.2Å; L123-K127 PolarHBondContact O-N 3.17Å; L123-M170 HydrophobicContact CD1-CE 4.45Å; L123-F173 HydrophobicContact CB-CE1 4.44Å; L123-V174 HydrophobicContact CD1-CG1 3.56Å; L123-V174 HydrophobicContact CD2-CG1 3.7Å; L123-V174 HydrophobicContact CG-CG1 4.17Å; L123-E182 HydrophobicContact CD2-CB 4.11Å; L123-E182 HydrophobicContact CD2-CG 4.2Å; L123-E182 VanDerWaalsContact CD2-OE2 3.25Å; L123-E182 WeakPolarHBondContact CD2-OE2 3.23Å; L123-L183 HydrophobicContact CD1-CD2 3.77Å
124E96.6Very high95.4Very high93 Ų9347.1 Ų47.144%0.43524%0.243SC..Hα-helixtrans-62.7-36.6176.8-70.5-52.2126.300112.1L120 K127 K128L120-E124 HydrophobicContact CD1-CG 4.2Å; L120-E124 HydrophobicContact CG-CG 4.47Å; L120-E124 WeakPolarHBondContact O-CG 3.2Å; L120-E124 PolarHBondContact O-N 2.95Å; E124-K127 PolarHBondContact O-N 3.04Å; E124-K127 WeakPolarHBondContact OE1-CD 3.32Å; E124-K127 IonicContact OE1-NZ 3.31Å; E124-K127 PolarHBondContact OE1-NZ 3.44Å; E124-K128 WeakPolarHBondContact O-CB 3.3Å; E124-K128 PolarHBondContact O-N 2.73Å
125F96.6Very high94.6Very high23 Ų2352.1 Ų52.110%0.10127%0.267CS..Hα-helixtrans-60.8-46172.1-178.9-84.4000111.7C85 F89 L99 L103 R121 F122 L123 K128 L129C85-F125 HydrophobicContact CB-CD2 4.34Å; C85-F125 HydrophobicContact CB-CE2 4.03Å; C85-F125 HydrophobicContact CB-CZ 4.29Å; C85-F125 WeakPolarHBondContact O-CE2 3.34Å; F89-F125 HydrophobicContact CD2-CD2 4.32Å; F89-F125 AromaticContact CD2-CE2 3.78Å; F89-F125 HydrophobicContact CD2-CE2 3.78Å; F89-F125 AromaticContact CE2-CD2 3.46Å; F89-F125 HydrophobicContact CE2-CD2 3.46Å; F89-F125 VanDerWaalsContact CE2-CD2 3.46Å; F89-F125 AromaticContact CE2-CE2 3.16Å; F89-F125 HydrophobicContact CE2-CE2 3.16Å; F89-F125 HydrophobicContact CE2-CG 4.48Å; F89-F125 AromaticContact CE2-CZ 3.98Å; F89-F125 HydrophobicContact CE2-CZ 3.98Å; F89-F125 HydrophobicContact CZ-CD2 4.2Å; F89-F125 AromaticContact CZ-CE2 3.85Å; F89-F125 HydrophobicContact CZ-CE2 3.85Å; F89-F125 HydrophobicContact CZ-CZ 4.27Å; L99-F125 HydrophobicContact CD1-CZ 4.29Å; L99-F125 HydrophobicContact CD2-CD1 4.45Å; L99-F125 HydrophobicContact CD2-CE1 3.2Å; L99-F125 HydrophobicContact CD2-CZ 3.39Å; L103-F125 HydrophobicContact CD2-CD1 4.08Å; L103-F125 HydrophobicContact CD2-CE1 4.15Å; R121-F125 VanDerWaalsContact O-CB 3.25Å; R121-F125 WeakPolarHBondContact O-CB 3.45Å; R121-F125 PolarHBondContact O-N 2.8Å; F122-F125 WeakPolarHBondContact O-CB 3.47Å; F122-F125 PolarHBondContact O-N 3.41Å; L123-F125 VanDerWaalsContact C-N 3.27Å; L123-F125 PolarHBondContact O-N 3.36Å; F125-K128 PolarHBondContact O-N 2.87Å; F125-L129 HydrophobicContact CD1-CD1 4.09Å; F125-L129 HydrophobicContact CD1-CG 4.45Å; F125-L129 HydrophobicContact CE1-CD1 3.4Å; F125-L129 VanDerWaalsContact CE1-CD1 3.4Å; F125-L129 HydrophobicContact CE1-CD2 4.49Å; F125-L129 HydrophobicContact CE1-CG 3.94Å; F125-L129 HydrophobicContact CZ-CD1 4.06Å; F125-L129 HydrophobicContact CZ-CD2 4.41Å; F125-L129 HydrophobicContact CZ-CG 4.33Å; F125-L129 PolarHBondContact O-N 3.45Å; F125-L129 VanDerWaalsContact O-N 3.13Å
126Y98Very high93.1Very high0 Ų056.7 Ų56.70%028%0.284CS..Hα-helixtrans-60.4-49.2174.5174-105.1000112.3L103 F122 L123 K128 L129 C130 C163 N166 F167 M170 L183 T186L103-Y126 HydrophobicContact CD2-CD2 3.76Å; L103-Y126 HydrophobicContact CD2-CG 4.39Å; L103-Y126 HydrophobicContact CG-CD2 4.49Å; F122-Y126 PolarHBondContact O-N 3.25Å; L123-Y126 WeakPolarHBondContact O-CB 3.37Å; L123-Y126 PolarHBondContact O-N 2.88Å; L123-Y126 VanDerWaalsContact O-N 3.11Å; Y126-K128 PolarHBondContact O-N 3.14Å; Y126-L129 WeakPolarHBondContact O-CB 3.32Å; Y126-L129 PolarHBondContact O-N 3.02Å; Y126-C130 VanDerWaalsContact CE1-SG 3.53Å; Y126-C130 PolarHBondContact O-N 3.37Å; Y126-C130 PolarHBondContact O-SG 3.41Å; Y126-C163 HydrophobicContact CE2-CB 3.8Å; Y126-C163 PolarHBondContact OH-O 3.02Å; Y126-N166 HydrophobicContact CE2-CB 4.48Å; Y126-F167 HydrophobicContact CE1-CD2 4.29Å; Y126-F167 WeakPolarHBondContact OH-CA 3.37Å; Y126-F167 VanDerWaalsContact OH-CD2 3.28Å; Y126-F167 WeakPolarHBondContact OH-CD2 3.45Å; Y126-M170 HydrophobicContact CD1-CB 4.32Å; Y126-M170 HydrophobicContact CD1-CE 4.14Å; Y126-M170 HydrophobicContact CD1-CG 3.91Å; Y126-M170 HydrophobicContact CD2-CE 4.47Å; Y126-M170 HydrophobicContact CD2-CG 3.82Å; Y126-M170 HydrophobicContact CD2-SD 4.27Å; Y126-M170 HydrophobicContact CE1-CB 3.98Å; Y126-M170 HydrophobicContact CE1-CG 3.74Å; Y126-M170 HydrophobicContact CE2-CG 3.65Å; Y126-M170 HydrophobicContact CG-CE 3.93Å; Y126-M170 HydrophobicContact CG-CG 3.95Å; Y126-M170 HydrophobicContact CG-SD 4.31Å; Y126-L183 HydrophobicContact CD1-CD2 4.4Å; Y126-L183 HydrophobicContact CE1-CD2 4.24Å; Y126-T186 HydrophobicContact CE1-CG2 3.99Å
127K97.8Very high91Very high39 Ų3960.5 Ų60.517%0.1729%0.292CS..Hα-helixtrans-56.5-39.9177.8-70.4172.7178.6170.10111.8L123 E124 C130 T131 E182L123-K127 HydrophobicContact CD1-CD 4.5Å; L123-K127 HydrophobicContact CD1-CG 4.37Å; L123-K127 HydrophobicContact CG-CD 4.27Å; L123-K127 WeakPolarHBondContact O-CG 3.2Å; L123-K127 PolarHBondContact O-N 3.17Å; E124-K127 PolarHBondContact O-N 3.04Å; E124-K127 WeakPolarHBondContact OE1-CD 3.32Å; E124-K127 IonicContact OE1-NZ 3.31Å; E124-K127 PolarHBondContact OE1-NZ 3.44Å; K127-C130 WeakPolarHBondContact O-CB 3.19Å; K127-C130 PolarHBondContact O-N 3.1Å; K127-T131 PolarHBondContact O-N 2.98Å; K127-T131 PolarHBondContact O-OG1 2.79Å; K127-E182 WeakPolarHBondContact CE-O 3.48Å; K127-E182 PolarHBondContact NZ-O 3.37Å; K127-E182 IonicContact NZ-OE2 3.46Å; K127-E182 PolarHBondContact NZ-OE2 3.17Å
128K96.1Very high88.5Confident107 Ų10762.2 Ų62.247%0.46530%0.301SS..Hα-helixtrans-66-37.8175.9-175.3174.7174.6-173.30113F89 E124 F125 Y126 C130 T131 L132F89-K128 HydrophobicContact CE1-CD 4Å; F89-K128 HydrophobicContact CE1-CG 4.08Å; F89-K128 HydrophobicContact CE2-CD 3.78Å; F89-K128 HydrophobicContact CE2-CG 4.46Å; F89-K128 HydrophobicContact CZ-CB 4.18Å; F89-K128 HydrophobicContact CZ-CD 3.49Å; F89-K128 VanDerWaalsContact CZ-CD 3.49Å; F89-K128 HydrophobicContact CZ-CG 3.71Å; E124-K128 WeakPolarHBondContact O-CB 3.3Å; E124-K128 PolarHBondContact O-N 2.73Å; F125-K128 PolarHBondContact O-N 2.87Å; Y126-K128 PolarHBondContact O-N 3.14Å; K128-C130 VanDerWaalsContact C-N 3.34Å; K128-T131 PolarHBondContact O-N 3.5Å; K128-T131 PolarHBondContact O-OG1 3.42Å; K128-L132 PolarHBondContact O-N 3.25Å
129L96.9Very high86.2Confident0 Ų064.5 Ų64.50%033%0.333CS..Hα-helixtrans-67.3-36.3174.3-67.8179.4000112F89 L96 L99 L103 F125 Y126 T131 L132 V159 C163F89-L129 HydrophobicContact CE1-CD2 3.76Å; F89-L129 HydrophobicContact CZ-CD2 3.76Å; F89-L129 HydrophobicContact CZ-CG 4.28Å; L96-L129 HydrophobicContact CD2-CD2 4.08Å; L99-L129 HydrophobicContact CD2-CD1 4Å; L103-L129 HydrophobicContact CD2-CD1 3.81Å; F125-L129 HydrophobicContact CD1-CD1 4.09Å; F125-L129 HydrophobicContact CD1-CG 4.45Å; F125-L129 HydrophobicContact CE1-CD1 3.4Å; F125-L129 VanDerWaalsContact CE1-CD1 3.4Å; F125-L129 HydrophobicContact CE1-CD2 4.49Å; F125-L129 HydrophobicContact CE1-CG 3.94Å; F125-L129 HydrophobicContact CZ-CD1 4.06Å; F125-L129 HydrophobicContact CZ-CD2 4.41Å; F125-L129 HydrophobicContact CZ-CG 4.33Å; F125-L129 PolarHBondContact O-N 3.45Å; F125-L129 VanDerWaalsContact O-N 3.13Å; Y126-L129 WeakPolarHBondContact O-CB 3.32Å; Y126-L129 PolarHBondContact O-N 3.02Å; L129-T131 PolarHBondContact O-N 2.97Å; L129-L132 HydrophobicContact CD2-CD2 4.47Å; L129-L132 WeakPolarHBondContact O-CB 3.33Å; L129-L132 PolarHBondContact O-N 2.92Å; L129-V159 HydrophobicContact CB-CG1 4.04Å; L129-V159 HydrophobicContact CD2-CG1 3.82Å; L129-V159 HydrophobicContact CG-CG1 4.4Å; L129-C163 WeakPolarHBondContact CB-SG 3.5Å
130C97.8Very high84Confident0 Ų070.7 Ų70.70%036%0.361CS..Hα-helixtrans-62.6-24.7178.7-63.50000113.5Y126 K127 K128 R160 C163 T186 L190Y126-C130 VanDerWaalsContact CE1-SG 3.53Å; Y126-C130 PolarHBondContact O-N 3.37Å; Y126-C130 PolarHBondContact O-SG 3.41Å; K127-C130 WeakPolarHBondContact O-CB 3.19Å; K127-C130 PolarHBondContact O-N 3.1Å; K128-C130 VanDerWaalsContact C-N 3.34Å; C130-R160 WeakPolarHBondContact O-CD 3.25Å; C130-C163 HydrophobicContact CB-CB 4.48Å; C130-C163 VanDerWaalsContact SG-CB 3.52Å; C130-T186 HydrophobicContact CB-CG2 3.76Å; C130-T186 WeakPolarHBondContact SG-CG2 3.45Å; C130-L190 HydrophobicContact CB-CD2 4.23Å
131T95.6Very high81.7Confident63 Ų6373.6 Ų73.639%0.38738%0.377SS..THydrogen-bonded Turntrans-110.78.3-177.8550000112.7K127 K128 L129 G133 L134K127-T131 PolarHBondContact O-N 2.98Å; K127-T131 PolarHBondContact O-OG1 2.79Å; K128-T131 PolarHBondContact O-N 3.5Å; K128-T131 PolarHBondContact O-OG1 3.42Å; L129-T131 PolarHBondContact O-N 2.97Å; T131-G133 PolarHBondContact O-N 3.01Å; T131-L134 WeakPolarHBondContact O-CB 3.46Å; T131-L134 PolarHBondContact O-N 3.47Å
132L93.6Very high79.6Confident24 Ų2478 Ų7813%0.12640%0.403CS..THydrogen-bonded Turntrans-64.3125.9-171.9-162.168.4000111.5F89 L96 K128 L129 L134 Y156 V159 R160F89-L132 HydrophobicContact CD1-CD1 4.46Å; F89-L132 HydrophobicContact CE1-CD1 4.03Å; L96-L132 HydrophobicContact CD1-CD2 3.87Å; K128-L132 PolarHBondContact O-N 3.25Å; L129-L132 HydrophobicContact CD2-CD2 4.47Å; L129-L132 WeakPolarHBondContact O-CB 3.33Å; L129-L132 PolarHBondContact O-N 2.92Å; L132-L134 PolarHBondContact O-N 2.97Å; L132-Y156 HydrophobicContact CB-CD2 4.42Å; L132-Y156 HydrophobicContact CB-CG 4.28Å; L132-Y156 HydrophobicContact CD2-CD1 3.43Å; L132-Y156 VanDerWaalsContact CD2-CD1 3.43Å; L132-Y156 HydrophobicContact CD2-CD2 3.96Å; L132-Y156 HydrophobicContact CD2-CE1 3.69Å; L132-Y156 HydrophobicContact CD2-CE2 4.13Å; L132-Y156 HydrophobicContact CD2-CG 3.6Å; L132-Y156 HydrophobicContact CG-CD1 4.07Å; L132-Y156 HydrophobicContact CG-CD2 3.65Å; L132-Y156 HydrophobicContact CG-CE1 4.39Å; L132-Y156 HydrophobicContact CG-CE2 3.93Å; L132-Y156 HydrophobicContact CG-CG 3.7Å; L132-Y156 WeakPolarHBondContact O-CB 3.28Å; L132-V159 HydrophobicContact CD2-CG1 4.23Å; L132-R160 WeakPolarHBondContact O-CD 3.42Å; L132-R160 PolarHBondContact O-NH1 2.93Å
133G91.2Very high77.5Confident19 Ų1982.2 Ų82.220%0.19643%0.434CS..THydrogen-bonded Turntrans81.7-7.4-177.300000115.1T131 E153T131-G133 PolarHBondContact O-N 3.01Å; G133-E153 WeakPolarHBondContact O-CG 3.38Å
134L91.3Very high75.6Confident40 Ų4090.7 Ų90.721%0.20947%0.473CS..PPolyproline II helixtrans-80.1146.9172.9-54.3-175.9000110T131 L132 E153 P194T131-L134 WeakPolarHBondContact O-CB 3.46Å; T131-L134 PolarHBondContact O-N 3.47Å; L132-L134 PolarHBondContact O-N 2.97Å; L134-E153 HydrophobicContact CD2-CG 4.25Å; L134-P194 HydrophobicContact CD2-CG 3.6Å
135Q77.9Confident74Confident128 Ų12891.7 Ų91.760%0.59848%0.48SS*.PPolyproline II helixtrans-76.4138.6168.5-61.6-157.1-46.400110.1I149Q135-I149 HydrophobicContact CG-CG2 3.81Å; Q135-I149 VanDerWaalsContact NE2-CG1 3.35Å
136Q63.5Low72.8Confident162 Ų16294 Ų9476%0.75750%0.498SS*.PPolyproline II helixtrans-71.4132.9159.7-67.3-171.9-14.900107.3N138Q136-N138 PolarHBondContact O-N 3.35Å
137E50.8Low71.6Confident198 Ų19898.7 Ų98.793%0.92553%0.531SS*.  trans-59.879.9179.2-71.9-173.4163.100111.3G139E137-G139 PolarHBondContact O-N 3.2Å
138N42.7Very low70.4Confident122 Ų122104 Ų10465%0.65256%0.556SS**  trans-89.760.7169-75.9-19.8000108.4Q136 H140Q136-N138 PolarHBondContact O-N 3.35Å; N138-H140 PolarHBondContact O-N 3.01Å; N138-H140 PolarHBondContact O-ND1 3.36Å
139G45.8Very low69.5Low80 Ų80100.1 Ų100.183%0.82554%0.54SS*.  trans30.537.2162.100000119.9E137E137-G139 PolarHBondContact O-N 3.2Å
140H49.1Very low68.7Low176 Ų176102.5 Ų102.582%0.81556%0.555SS**  trans-98.7131.7179.7-84.565000109.8N138N138-H140 PolarHBondContact O-N 3.01Å; N138-H140 PolarHBondContact O-ND1 3.36Å
141N46.6Very low68.1Low147 Ų147109.2 Ų109.279%0.78659%0.586SS**  trans-38135-178.2-71.4-29.5000113.7S143N141-S143 PolarHBondContact O-N 3.46Å
142E49.8Very low67.4Low204 Ų204109.7 Ų109.795%0.95358%0.584SS**SBendtrans-59.614.2179.1-64-177.4144.900115.8Q144E142-Q144 PolarHBondContact O-N 3.5Å; E142-Q144 VanDerWaalsContact O-N 3.15Å
143S53Low67.1Low99 Ų99110 Ų11069%0.69258%0.584SS**SBendtrans-90.284.9-175.5-50.60000110.3N141N141-S143 PolarHBondContact O-N 3.46Å
144Q56.4Low67.1Low181 Ų181115 Ų11585%0.84660%0.601SS**  trans75.2109.2175.6-54.11750.400114E142 P146E142-Q144 PolarHBondContact O-N 3.5Å; E142-Q144 VanDerWaalsContact O-N 3.15Å; Q144-P146 WeakPolarHBondContact O-CD 3.35Å
145I62.6Low67.1Low113 Ų113117.3 Ų117.358%0.57961%0.609SS**  trans-71.3117.1164-57.9178.4000107.3S147 I149 V150I145-S147 PolarHBondContact O-N 3.44Å; I145-I149 HydrophobicContact CG2-CB 3.83Å; I145-I149 HydrophobicContact CG2-CD1 4.12Å; I145-I149 HydrophobicContact CG2-CG2 3.8Å; I145-V150 HydrophobicContact CG2-CG2 3.92Å
146P73.3Confident67.9Low72 Ų72113.1 Ų113.147%0.46859%0.588SS.*  trans-50135.7173-25.926.2000112.5Q144 Q148 I149Q144-P146 WeakPolarHBondContact O-CD 3.35Å; P146-Q148 PolarHBondContact O-N 3Å; P146-I149 HydrophobicContact CB-CD1 3.83Å; P146-I149 HydrophobicContact CB-CG1 4.45Å; P146-I149 VanDerWaalsContact CD-CD1 3.43Å; P146-I149 HydrophobicContact CG-CD1 3.59Å; P146-I149 WeakPolarHBondContact O-CB 3.47Å; P146-I149 PolarHBondContact O-N 3.2Å
147S72.3Confident69.5Low99 Ų99106.1 Ų106.169%0.69256%0.556SS**Hα-helixtrans-52.5-30.6179.752.10000114.1I145 I149 V150 E151I145-S147 PolarHBondContact O-N 3.44Å; S147-I149 VanDerWaalsContact C-N 3.3Å; S147-I149 PolarHBondContact O-N 2.85Å; S147-V150 PolarHBondContact O-N 3.48Å; S147-E151 PolarHBondContact O-N 2.79Å; S147-E151 VanDerWaalsContact O-N 3.13Å
148Q72.6Confident71.8Confident150 Ų15099.4 Ų99.470%0.70153%0.531SS*.Hα-helixtrans-64.7-29.8177-67.8177.7-25.500113.5P146 Q152P146-Q148 PolarHBondContact O-N 3Å; Q148-Q152 WeakPolarHBondContact O-CB 3.43Å; Q148-Q152 PolarHBondContact O-N 3.37Å; Q148-Q152 VanDerWaalsContact O-N 3.11Å
149I77.1Confident74.4Confident25 Ų2593.6 Ų93.613%0.12850%0.5CS..Hα-helixtrans-72.6-47.1178.5-69.4153.4000110Q135 I145 P146 S147 E151 Q152 E153Q135-I149 HydrophobicContact CG-CG2 3.81Å; Q135-I149 VanDerWaalsContact NE2-CG1 3.35Å; I145-I149 HydrophobicContact CG2-CB 3.83Å; I145-I149 HydrophobicContact CG2-CD1 4.12Å; I145-I149 HydrophobicContact CG2-CG2 3.8Å; P146-I149 HydrophobicContact CB-CD1 3.83Å; P146-I149 HydrophobicContact CB-CG1 4.45Å; P146-I149 VanDerWaalsContact CD-CD1 3.43Å; P146-I149 HydrophobicContact CG-CD1 3.59Å; P146-I149 WeakPolarHBondContact O-CB 3.47Å; P146-I149 PolarHBondContact O-N 3.2Å; S147-I149 VanDerWaalsContact C-N 3.3Å; S147-I149 PolarHBondContact O-N 2.85Å; I149-E151 PolarHBondContact O-N 3.11Å; I149-Q152 WeakPolarHBondContact O-CB 3.46Å; I149-Q152 PolarHBondContact O-N 3.05Å; I149-E153 HydrophobicContact CG2-CG 4.45Å; I149-E153 WeakPolarHBondContact O-CG 3.29Å; I149-E153 PolarHBondContact O-N 3.4Å
150V80.6Confident76.9Confident51 Ų5189.8 Ų89.831%0.30946%0.461SS..Hα-helixtrans-60.9-36.2177.2-179.20000111.1I145 S147 K154I145-V150 HydrophobicContact CG2-CG2 3.92Å; S147-V150 PolarHBondContact O-N 3.48Å; V150-K154 HydrophobicContact CG1-CD 4.33Å; V150-K154 WeakPolarHBondContact O-CB 3.22Å; V150-K154 WeakPolarHBondContact O-CG 3.45Å; V150-K154 PolarHBondContact O-N 3.03Å; V150-K154 VanDerWaalsContact O-N 3.14Å
151E83.8Confident79.2Confident140 Ų14085.7 Ų85.765%0.65444%0.441SS*.Hα-helixtrans-65-40.8174.1-170.4171.2-16500111.8S147 I149 K154 K155S147-E151 PolarHBondContact O-N 2.79Å; S147-E151 VanDerWaalsContact O-N 3.13Å; I149-E151 PolarHBondContact O-N 3.11Å; E151-K154 PolarHBondContact O-N 3.23Å; E151-K155 WeakPolarHBondContact O-CB 3.48Å; E151-K155 PolarHBondContact O-N 3.05Å
152Q82.1Confident81.7Confident73 Ų7379.7 Ų79.734%0.34141%0.409SS..Hα-helixtrans-70.7-37.5179.9-166.954.287.900113.1Q148 I149 K155Q148-Q152 WeakPolarHBondContact O-CB 3.43Å; Q148-Q152 PolarHBondContact O-N 3.37Å; Q148-Q152 VanDerWaalsContact O-N 3.11Å; I149-Q152 WeakPolarHBondContact O-CB 3.46Å; I149-Q152 PolarHBondContact O-N 3.05Å; Q152-K155 PolarHBondContact O-N 2.7Å
153E87.2Confident84Confident31 Ų3170 Ų7015%0.14536%0.363CS..Hα-helixtrans-60.3-48.6173-73.2174.8171.600110.9G133 L134 I149 Y156 T157 R160G133-E153 WeakPolarHBondContact O-CG 3.38Å; L134-E153 HydrophobicContact CD2-CG 4.25Å; I149-E153 HydrophobicContact CG2-CG 4.45Å; I149-E153 WeakPolarHBondContact O-CG 3.29Å; I149-E153 PolarHBondContact O-N 3.4Å; E153-Y156 PolarHBondContact O-N 2.92Å; E153-T157 PolarHBondContact O-N 2.68Å; E153-T157 PolarHBondContact O-OG1 3.37Å; E153-R160 PolarHBondContact O-NH1 3.48Å; E153-R160 PolarHBondContact O-NH2 3.29Å
154K90.5Very high86.2Confident124 Ų12465.2 Ų65.254%0.53933%0.33SS..Hα-helixtrans-65.7-36.9179.4-75.5178.8-179.9-1800113V150 E151 Y156 T157V150-K154 HydrophobicContact CG1-CD 4.33Å; V150-K154 WeakPolarHBondContact O-CB 3.22Å; V150-K154 WeakPolarHBondContact O-CG 3.45Å; V150-K154 PolarHBondContact O-N 3.03Å; V150-K154 VanDerWaalsContact O-N 3.14Å; E151-K154 PolarHBondContact O-N 3.23Å; K154-Y156 PolarHBondContact O-N 3.1Å; K154-T157 WeakPolarHBondContact CA-OG1 3.46Å; K154-T157 PolarHBondContact O-N 3.28Å; K154-T157 PolarHBondContact O-OG1 2.63Å; K154-T157 VanDerWaalsContact O-OG1 3.1Å
155K91.9Very high88.2Confident89 Ų8962.7 Ų62.739%0.38731%0.314SS..Hα-helixtrans-56.7-39.2177.7-175.2175.9176-177.70111.9E93 E151 Q152E93-K155 HydrophobicContact CG-CG 4.49Å; E93-K155 WeakPolarHBondContact OE2-CE 3.47Å; E93-K155 WeakPolarHBondContact OE2-CG 3.45Å; E151-K155 WeakPolarHBondContact O-CB 3.48Å; E151-K155 PolarHBondContact O-N 3.05Å; Q152-K155 PolarHBondContact O-N 2.7Å
156Y95.1Very high89.9Confident40 Ų4057.8 Ų57.816%0.15729%0.289CS..THydrogen-bonded Turntrans-101.510.2-176.2-64.3-56.4000114.7E93 L96 L132 E153 K154 S158 V159 R160E93-Y156 HydrophobicContact CG-CD1 4.39Å; E93-Y156 HydrophobicContact CG-CE1 4.24Å; L96-Y156 HydrophobicContact CD1-CE1 4.05Å; L132-Y156 HydrophobicContact CB-CD2 4.42Å; L132-Y156 HydrophobicContact CB-CG 4.28Å; L132-Y156 HydrophobicContact CD2-CD1 3.43Å; L132-Y156 VanDerWaalsContact CD2-CD1 3.43Å; L132-Y156 HydrophobicContact CD2-CD2 3.96Å; L132-Y156 HydrophobicContact CD2-CE1 3.69Å; L132-Y156 HydrophobicContact CD2-CE2 4.13Å; L132-Y156 HydrophobicContact CD2-CG 3.6Å; L132-Y156 HydrophobicContact CG-CD1 4.07Å; L132-Y156 HydrophobicContact CG-CD2 3.65Å; L132-Y156 HydrophobicContact CG-CE1 4.39Å; L132-Y156 HydrophobicContact CG-CE2 3.93Å; L132-Y156 HydrophobicContact CG-CG 3.7Å; L132-Y156 WeakPolarHBondContact O-CB 3.28Å; E153-Y156 PolarHBondContact O-N 2.92Å; K154-Y156 PolarHBondContact O-N 3.1Å; Y156-S158 VanDerWaalsContact C-N 3.28Å; Y156-S158 PolarHBondContact O-N 3.35Å; Y156-V159 HydrophobicContact CD1-CG2 4.24Å; Y156-V159 WeakPolarHBondContact O-CB 3.37Å; Y156-V159 PolarHBondContact O-N 3.18Å; Y156-R160 PolarHBondContact O-N 3.1Å; Y156-R160 VanDerWaalsContact O-N 3.08Å
157T96.8Very high91.1Very high14 Ų1454.3 Ų54.39%0.08627%0.266CS..Hα-helixtrans-53.5-44.1177.9-59.40000112.4E153 K154 V159 R160 K161 E195 P197 V198E153-T157 PolarHBondContact O-N 2.68Å; E153-T157 PolarHBondContact O-OG1 3.37Å; K154-T157 WeakPolarHBondContact CA-OG1 3.46Å; K154-T157 PolarHBondContact O-N 3.28Å; K154-T157 PolarHBondContact O-OG1 2.63Å; K154-T157 VanDerWaalsContact O-OG1 3.1Å; T157-V159 VanDerWaalsContact C-N 3.31Å; T157-V159 PolarHBondContact O-N 3.45Å; T157-R160 PolarHBondContact O-N 3.28Å; T157-K161 WeakPolarHBondContact O-CB 3.36Å; T157-K161 PolarHBondContact O-N 3.2Å; T157-E195 HydrophobicContact CG2-CB 3.71Å; T157-E195 HydrophobicContact CG2-CG 4.05Å; T157-E195 WeakPolarHBondContact OG1-CG 3.29Å; T157-E195 PolarHBondContact OG1-OE2 3.01Å; T157-P197 HydrophobicContact CG2-CB 4.46Å; T157-P197 HydrophobicContact CG2-CG 4.42Å; T157-V198 HydrophobicContact CG2-CG2 4.14Å
158S98.1Very high92.3Very high57 Ų5750.6 Ų50.640%0.39924%0.239SC..Hα-helixtrans-62.6-37.7179.4-64.40000112.4Y156 N162Y156-S158 VanDerWaalsContact C-N 3.28Å; Y156-S158 PolarHBondContact O-N 3.35Å; S158-N162 WeakPolarHBondContact O-CB 3.25Å; S158-N162 PolarHBondContact O-N 3.39Å; S158-N162 PolarHBondContact O-ND2 3.46Å
159V97.9Very high93.4Very high0 Ų044.9 Ų44.90%022%0.218CC..Hα-helixtrans-66-49.6177.5177.10000110.4L96 I97 L129 L132 Y156 T157 K161 N162 C163L96-V159 HydrophobicContact CB-CG2 3.91Å; I97-V159 HydrophobicContact CG1-CG2 3.93Å; L129-V159 HydrophobicContact CB-CG1 4.04Å; L129-V159 HydrophobicContact CD2-CG1 3.82Å; L129-V159 HydrophobicContact CG-CG1 4.4Å; L132-V159 HydrophobicContact CD2-CG1 4.23Å; Y156-V159 HydrophobicContact CD1-CG2 4.24Å; Y156-V159 WeakPolarHBondContact O-CB 3.37Å; Y156-V159 PolarHBondContact O-N 3.18Å; T157-V159 VanDerWaalsContact C-N 3.31Å; T157-V159 PolarHBondContact O-N 3.45Å; V159-K161 VanDerWaalsContact C-N 3.34Å; V159-K161 PolarHBondContact O-N 2.83Å; V159-N162 WeakPolarHBondContact O-CB 2.91Å; V159-N162 PolarHBondContact O-N 3.2Å; V159-C163 PolarHBondContact O-N 2.88Å; V159-C163 PolarHBondContact O-SG 3.13Å
160R98.3Very high94.4Very high0 Ų043.7 Ų43.70%021%0.212CC..Hα-helixtrans-65.6-37.3179.2-60-164.3-51.7-82.7-2.8112C130 L132 E153 Y156 T157 N162 C163 A164 D193 V198C130-R160 WeakPolarHBondContact O-CD 3.25Å; L132-R160 WeakPolarHBondContact O-CD 3.42Å; L132-R160 PolarHBondContact O-NH1 2.93Å; E153-R160 PolarHBondContact O-NH1 3.48Å; E153-R160 PolarHBondContact O-NH2 3.29Å; Y156-R160 PolarHBondContact O-N 3.1Å; Y156-R160 VanDerWaalsContact O-N 3.08Å; T157-R160 PolarHBondContact O-N 3.28Å; R160-N162 PolarHBondContact O-N 3.02Å; R160-C163 WeakPolarHBondContact O-CB 3.4Å; R160-C163 PolarHBondContact O-N 2.87Å; R160-C163 VanDerWaalsContact O-N 3.13Å; R160-A164 PolarHBondContact O-N 2.83Å; R160-D193 WeakPolarHBondContact CD-OD2 3.32Å; R160-D193 IonicContact CZ-OD1 3.66Å; R160-D193 IonicContact CZ-OD2 3.64Å; R160-D193 IonicContact NE-OD1 2.65Å; R160-D193 PolarHBondContact NE-OD1 2.84Å; R160-D193 IonicContact NE-OD2 3.49Å; R160-D193 PolarHBondContact NE-OD2 3.46Å; R160-D193 IonicContact NH2-OD1 2.92Å; R160-D193 PolarHBondContact NH2-OD1 3.19Å; R160-D193 IonicContact NH2-OD2 2.69Å; R160-V198 HydrophobicContact CB-CG1 4.27Å; R160-V198 HydrophobicContact CB-CG2 3.97Å
161K98.6Very high95.2Very high90 Ų9041.3 Ų41.339%0.39120%0.197SC..Hα-helixtrans-59.3-45.7172.5-177.9-168163.2-171.40111.6T157 V159 C163 A164 Y165 P197 V198 T201T157-K161 WeakPolarHBondContact O-CB 3.36Å; T157-K161 PolarHBondContact O-N 3.2Å; V159-K161 VanDerWaalsContact C-N 3.34Å; V159-K161 PolarHBondContact O-N 2.83Å; K161-C163 VanDerWaalsContact C-N 3.27Å; K161-C163 PolarHBondContact O-N 3.08Å; K161-A164 WeakPolarHBondContact O-CB 3.39Å; K161-A164 PolarHBondContact O-N 3.26Å; K161-Y165 PolarHBondContact O-N 3.12Å; K161-P197 HydrophobicContact CD-CB 4.31Å; K161-V198 HydrophobicContact CB-CG2 4.17Å; K161-T201 HydrophobicContact CG-CG2 4.39Å; K161-T201 WeakPolarHBondContact CG-OG1 3.36Å
162N98.6Very high95.7Very high21 Ų2137.8 Ų37.811%0.11219%0.186CC..Hα-helixtrans-64.1-34.6175.6-71.5-15.9000111.9I97 S100 F101 S158 V159 R160 Y165 N166I97-N162 PolarHBondContact O-ND2 3.28Å; S100-N162 WeakPolarHBondContact OG-CB 3.35Å; S100-N162 PolarHBondContact OG-ND2 3.04Å; F101-N162 HydrophobicContact CB-CB 4.49Å; S158-N162 WeakPolarHBondContact O-CB 3.25Å; S158-N162 PolarHBondContact O-N 3.39Å; S158-N162 PolarHBondContact O-ND2 3.46Å; V159-N162 WeakPolarHBondContact O-CB 2.91Å; V159-N162 PolarHBondContact O-N 3.2Å; R160-N162 PolarHBondContact O-N 3.02Å; N162-Y165 PolarHBondContact O-N 3.45Å; N162-N166 WeakPolarHBondContact O-CB 3.12Å; N162-N166 PolarHBondContact O-N 3.11Å; N162-N166 PolarHBondContact O-ND2 2.65Å
163C98.6Very high96.4Very high0 Ų034.5 Ų34.50%017%0.17CC..Hα-helixtrans-64.4-41.5173.6-62.40000112.1Y126 L129 C130 V159 R160 K161 N166 F167 L190Y126-C163 HydrophobicContact CE2-CB 3.8Å; Y126-C163 PolarHBondContact OH-O 3.02Å; L129-C163 WeakPolarHBondContact CB-SG 3.5Å; C130-C163 HydrophobicContact CB-CB 4.48Å; C130-C163 VanDerWaalsContact SG-CB 3.52Å; V159-C163 PolarHBondContact O-N 2.88Å; V159-C163 PolarHBondContact O-SG 3.13Å; R160-C163 WeakPolarHBondContact O-CB 3.4Å; R160-C163 PolarHBondContact O-N 2.87Å; R160-C163 VanDerWaalsContact O-N 3.13Å; K161-C163 VanDerWaalsContact C-N 3.27Å; K161-C163 PolarHBondContact O-N 3.08Å; C163-N166 CarbonylContact O-C 3.57Å; C163-N166 PolarHBondContact O-N 3.37Å; C163-F167 PolarHBondContact O-N 2.94Å; C163-L190 HydrophobicContact CB-CD2 4.48Å
164A98.6Very high96.7Very high0 Ų033.3 Ų33.30%017%0.165CC..Hα-helixtrans-59.4-45.4173.100000112.3R160 K161 N166 F167 L190 V198 T201 I202R160-A164 PolarHBondContact O-N 2.83Å; K161-A164 WeakPolarHBondContact O-CB 3.39Å; K161-A164 PolarHBondContact O-N 3.26Å; A164-N166 VanDerWaalsContact C-N 3.27Å; A164-N166 PolarHBondContact O-N 2.97Å; A164-F167 VanDerWaalsContact O-CB 3.31Å; A164-F167 WeakPolarHBondContact O-CB 3.47Å; A164-F167 PolarHBondContact O-N 3.5Å; A164-L190 HydrophobicContact CB-CD2 4.31Å; A164-V198 HydrophobicContact CB-CG1 4.17Å; A164-T201 HydrophobicContact CB-CG2 4.01Å; A164-I202 HydrophobicContact CB-CB 3.95Å; A164-I202 HydrophobicContact CB-CD1 4.41Å
165Y98.3Very high96.9Very high128 Ų12829.5 Ų29.550%0.50215%0.151SC..Hα-helixtrans-58.1-39.4174.4167.1-99.1000112.3F101 K161 N162 F167F101-Y165 HydrophobicContact CE2-CE1 4.43Å; K161-Y165 PolarHBondContact O-N 3.12Å; N162-Y165 PolarHBondContact O-N 3.45Å; Y165-F167 VanDerWaalsContact C-N 3.33Å; Y165-F167 PolarHBondContact O-N 2.89Å
166N98.1Very high97Very high9 Ų926.5 Ų26.55%0.04814%0.14CC..Hα-helixtrans-83.1-4.6-179.1-79.1-37.4000114.5S100 F101 G104 Y126 N162 C163 A164 A169 M170S100-N166 PolarHBondContact O-ND2 3.13Å; F101-N166 PolarHBondContact O-ND2 3.38Å; G104-N166 PolarHBondContact N-ND2 3.02Å; G104-N166 PolarHBondContact N-OD1 3.34Å; Y126-N166 HydrophobicContact CE2-CB 4.48Å; N162-N166 WeakPolarHBondContact O-CB 3.12Å; N162-N166 PolarHBondContact O-N 3.11Å; N162-N166 PolarHBondContact O-ND2 2.65Å; C163-N166 CarbonylContact O-C 3.57Å; C163-N166 PolarHBondContact O-N 3.37Å; A164-N166 VanDerWaalsContact C-N 3.27Å; A164-N166 PolarHBondContact O-N 2.97Å; N166-A169 WeakPolarHBondContact O-CB 3.25Å; N166-A169 PolarHBondContact O-N 3.34Å; N166-A169 VanDerWaalsContact O-N 3.17Å; N166-M170 PolarHBondContact O-N 3.14Å
167F98.2Very high96.9Very high0 Ų030.2 Ų30.20%016%0.157CC..Hα-helixtrans-57.7-43.9-171.9-170.6-95.6000113.8Y126 C163 A164 Y165 A169 M170 I171 F179 L183 T186 F187 L190 I202 V209Y126-F167 HydrophobicContact CE1-CD2 4.29Å; Y126-F167 WeakPolarHBondContact OH-CA 3.37Å; Y126-F167 VanDerWaalsContact OH-CD2 3.28Å; Y126-F167 WeakPolarHBondContact OH-CD2 3.45Å; C163-F167 PolarHBondContact O-N 2.94Å; A164-F167 VanDerWaalsContact O-CB 3.31Å; A164-F167 WeakPolarHBondContact O-CB 3.47Å; A164-F167 PolarHBondContact O-N 3.5Å; Y165-F167 VanDerWaalsContact C-N 3.33Å; Y165-F167 PolarHBondContact O-N 2.89Å; F167-A169 VanDerWaalsContact C-N 3.32Å; F167-A169 PolarHBondContact O-N 3.35Å; F167-M170 WeakPolarHBondContact O-CB 3.31Å; F167-M170 PolarHBondContact O-N 3.16Å; F167-I171 HydrophobicContact CD1-CD1 4.08Å; F167-I171 HydrophobicContact CD1-CG1 4.28Å; F167-I171 HydrophobicContact CE1-CD1 3.72Å; F167-I171 HydrophobicContact CE1-CG1 3.91Å; F167-I171 HydrophobicContact CZ-CG1 4.38Å; F167-I171 PolarHBondContact O-N 2.8Å; F167-I171 VanDerWaalsContact O-N 3.13Å; F167-F179 AromaticContact CE1-CE2 3.85Å; F167-F179 HydrophobicContact CE1-CE2 3.85Å; F167-F179 AromaticContact CZ-CE2 3.73Å; F167-F179 HydrophobicContact CZ-CE2 3.73Å; F167-L183 HydrophobicContact CE2-CB 4.2Å; F167-L183 HydrophobicContact CE2-CD2 4.35Å; F167-L183 HydrophobicContact CZ-CB 4.03Å; F167-T186 HydrophobicContact CE2-CG2 4.27Å; F167-F187 AromaticContact CD1-CD2 3.83Å; F167-F187 HydrophobicContact CD1-CD2 3.83Å; F167-F187 HydrophobicContact CD1-CE2 4.3Å; F167-F187 HydrophobicContact CE1-CB 4.02Å; F167-F187 AromaticContact CE1-CD2 3.3Å; F167-F187 HydrophobicContact CE1-CD2 3.3Å; F167-F187 HydrophobicContact CE1-CE2 4Å; F167-F187 AromaticContact CE1-CG 3.91Å; F167-F187 HydrophobicContact CE1-CG 3.91Å; F167-F187 HydrophobicContact CE2-CB 4.02Å; F167-F187 HydrophobicContact CE2-CD2 4.36Å; F167-F187 HydrophobicContact CZ-CB 3.46Å; F167-F187 VanDerWaalsContact CZ-CB 3.46Å; F167-F187 AromaticContact CZ-CD2 3.67Å; F167-F187 HydrophobicContact CZ-CD2 3.67Å; F167-F187 AromaticContact CZ-CG 3.89Å; F167-F187 HydrophobicContact CZ-CG 3.89Å; F167-L190 HydrophobicContact CB-CD1 4.48Å; F167-L190 HydrophobicContact CD2-CD1 3.73Å; F167-L190 HydrophobicContact CE2-CD1 4.43Å; F167-L190 HydrophobicContact CG-CD1 4.34Å; F167-I202 HydrophobicContact CB-CD1 3.76Å; F167-I202 HydrophobicContact CD1-CD1 3.98Å; F167-I202 HydrophobicContact CG-CD1 3.92Å; F167-V209 HydrophobicContact CD1-CG2 3.67Å; F167-V209 HydrophobicContact CE1-CG1 4.47Å; F167-V209 HydrophobicContact CE1-CG2 4.1Å
168P96.9Very high96.8Very high20 Ų2031.8 Ų31.813%0.1317%0.165CC..Hα-helixtrans-59-40.4176.9-24.334.5000113.5M170 I171 V172 C205 E208 V209P168-M170 PolarHBondContact O-N 3.27Å; P168-I171 WeakPolarHBondContact O-CB 3.37Å; P168-I171 PolarHBondContact O-N 2.98Å; P168-V172 PolarHBondContact O-N 3.26Å; P168-C205 HydrophobicContact CG-CB 3.93Å; P168-E208 HydrophobicContact CB-CB 3.83Å; P168-E208 HydrophobicContact CG-CB 3.76Å; P168-V209 HydrophobicContact CG-CG2 4.16Å
169A96.4Very high96.6Very high31 Ų3129.3 Ų29.326%0.25615%0.147SC..Hα-helixtrans-63.4-33.7176.200000111.7N166 F167 V172 F173N166-A169 WeakPolarHBondContact O-CB 3.25Å; N166-A169 PolarHBondContact O-N 3.34Å; N166-A169 VanDerWaalsContact O-N 3.17Å; F167-A169 VanDerWaalsContact C-N 3.32Å; F167-A169 PolarHBondContact O-N 3.35Å; A169-V172 PolarHBondContact O-N 3.23Å; A169-F173 WeakPolarHBondContact O-CB 3.48Å; A169-F173 PolarHBondContact O-N 3.35Å
170M97.9Very high96.3Very high0 Ų031.5 Ų31.50%016%0.157CC..Hα-helixtrans-72.4-29.3177.5-63.1-52.4-59.100113C107 L123 Y126 N166 F167 P168 F173 V174 L183C107-M170 HydrophobicContact CB-SD 4.04Å; L123-M170 HydrophobicContact CD1-CE 4.45Å; Y126-M170 HydrophobicContact CD1-CB 4.32Å; Y126-M170 HydrophobicContact CD1-CE 4.14Å; Y126-M170 HydrophobicContact CD1-CG 3.91Å; Y126-M170 HydrophobicContact CD2-CE 4.47Å; Y126-M170 HydrophobicContact CD2-CG 3.82Å; Y126-M170 HydrophobicContact CD2-SD 4.27Å; Y126-M170 HydrophobicContact CE1-CB 3.98Å; Y126-M170 HydrophobicContact CE1-CG 3.74Å; Y126-M170 HydrophobicContact CE2-CG 3.65Å; Y126-M170 HydrophobicContact CG-CE 3.93Å; Y126-M170 HydrophobicContact CG-CG 3.95Å; Y126-M170 HydrophobicContact CG-SD 4.31Å; N166-M170 PolarHBondContact O-N 3.14Å; F167-M170 WeakPolarHBondContact O-CB 3.31Å; F167-M170 PolarHBondContact O-N 3.16Å; P168-M170 PolarHBondContact O-N 3.27Å; M170-F173 HydrophobicContact CE-CB 4.22Å; M170-F173 HydrophobicContact CE-CD1 3.45Å; M170-F173 VanDerWaalsContact CE-CD1 3.45Å; M170-F173 HydrophobicContact CE-CE1 4.07Å; M170-F173 HydrophobicContact CE-CG 4.06Å; M170-F173 WeakPolarHBondContact O-CB 3.46Å; M170-F173 PolarHBondContact O-N 3.22Å; M170-F173 HydrophobicContact SD-CB 4.41Å; M170-V174 WeakPolarHBondContact O-CG2 3.38Å; M170-V174 PolarHBondContact O-N 3.2Å; M170-L183 HydrophobicContact CB-CD1 4.26Å; M170-L183 WeakPolarHBondContact O-CD1 3.39Å
171I96.6Very high96Very high0 Ų038.1 Ų38.10%019%0.19CC..Hα-helixtrans-60.9-48.4170.7-60176000110.1F167 P168 F173 V174 D175 P176 F179 L183 V209 A212 L213F167-I171 HydrophobicContact CD1-CD1 4.08Å; F167-I171 HydrophobicContact CD1-CG1 4.28Å; F167-I171 HydrophobicContact CE1-CD1 3.72Å; F167-I171 HydrophobicContact CE1-CG1 3.91Å; F167-I171 HydrophobicContact CZ-CG1 4.38Å; F167-I171 PolarHBondContact O-N 2.8Å; F167-I171 VanDerWaalsContact O-N 3.13Å; P168-I171 WeakPolarHBondContact O-CB 3.37Å; P168-I171 PolarHBondContact O-N 2.98Å; I171-F173 VanDerWaalsContact C-N 3.29Å; I171-F173 PolarHBondContact O-N 3.47Å; I171-V174 WeakPolarHBondContact O-CG2 3.32Å; I171-V174 PolarHBondContact O-N 3.37Å; I171-D175 CarbonylContact O-C 3.54Å; I171-D175 PolarHBondContact O-N 2.89Å; I171-P176 HydrophobicContact CG2-CB 4.17Å; I171-P176 HydrophobicContact CG2-CG 4.16Å; I171-F179 HydrophobicContact CD1-CD2 4.18Å; I171-F179 HydrophobicContact CD1-CE2 4.15Å; I171-F179 HydrophobicContact CG1-CD2 4.03Å; I171-F179 HydrophobicContact CG1-CE2 4.31Å; I171-F179 HydrophobicContact CG2-CD2 4.47Å; I171-L183 HydrophobicContact CG1-CD1 4.15Å; I171-V209 HydrophobicContact CD1-CB 4.16Å; I171-V209 HydrophobicContact CD1-CG1 3.8Å; I171-V209 HydrophobicContact CD1-CG2 4.02Å; I171-A212 HydrophobicContact CB-CB 4.37Å; I171-A212 HydrophobicContact CD1-CB 4.4Å; I171-A212 HydrophobicContact CG2-CB 4.02Å; I171-L213 HydrophobicContact CD1-CD1 4.42Å; I171-L213 HydrophobicContact CD1-CG 4.31Å; I171-L213 HydrophobicContact CG2-CD2 3.61Å; I171-L213 HydrophobicContact CG2-CG 4.27Å
172V95Very high95.9Very high67 Ų6736.9 Ų36.941%0.40619%0.185SC..Hα-helixtrans-62.3-40.9176.4179.50000110.5P168 A169 V174 D175P168-V172 PolarHBondContact O-N 3.26Å; A169-V172 PolarHBondContact O-N 3.23Å; V172-V174 PolarHBondContact O-N 3.04Å; V172-D175 PolarHBondContact O-N 3.27Å
173F96.3Very high95.8Very high4 Ų435.9 Ų35.92%0.01818%0.18CC..Hα-helixtrans-57.6-47.1178.4-178.3-110.5000112.2C107 Y111 F114 H119 F122 L123 A169 M170 I171 D175C107-F173 HydrophobicContact CB-CB 4.41Å; C107-F173 HydrophobicContact CB-CD2 3.63Å; C107-F173 HydrophobicContact CB-CE2 3.96Å; C107-F173 HydrophobicContact CB-CG 3.97Å; Y111-F173 HydrophobicContact CD2-CD2 4.38Å; F114-F173 AromaticContact CD2-CE2 3.69Å; F114-F173 HydrophobicContact CD2-CE2 3.69Å; F114-F173 HydrophobicContact CD2-CZ 4.21Å; F114-F173 AromaticContact CE2-CE2 3.56Å; F114-F173 HydrophobicContact CE2-CE2 3.56Å; F114-F173 HydrophobicContact CE2-CZ 4.17Å; F114-F173 HydrophobicContact CZ-CE2 4.32Å; H119-F173 HydrophobicContact CB-CZ 4.45Å; H119-F173 AromaticContact CD2-CE1 3.85Å; H119-F173 AromaticContact CD2-CE2 3.65Å; H119-F173 AromaticContact CD2-CZ 3.46Å; H119-F173 VanDerWaalsContact CD2-CZ 3.46Å; H119-F173 WeakPolarHBondContact CD2-CZ 3.14Å; H119-F173 AromaticContact CE1-CD1 3.66Å; H119-F173 AromaticContact CE1-CE1 3.46Å; H119-F173 VanDerWaalsContact CE1-CE1 3.46Å; H119-F173 WeakPolarHBondContact CE1-CE1 3.3Å; H119-F173 AromaticContact CE1-CZ 3.91Å; H119-F173 PolarHBondContact CE1-O 3.19Å; H119-F173 AromaticContact CG-CE1 3.99Å; H119-F173 AromaticContact CG-CZ 3.78Å; H119-F173 AromaticContact ND1-CE1 3.78Å; H119-F173 AromaticContact NE2-CD1 3.64Å; H119-F173 AromaticContact NE2-CD2 3.85Å; H119-F173 AromaticContact NE2-CE1 3.51Å; H119-F173 AromaticContact NE2-CE2 3.71Å; H119-F173 AromaticContact NE2-CG 3.83Å; H119-F173 AromaticContact NE2-CZ 3.55Å; H119-F173 PolarHBondContact NE2-O 3.29Å; F122-F173 HydrophobicContact CB-CE1 4.28Å; F122-F173 HydrophobicContact CB-CZ 4.06Å; L123-F173 HydrophobicContact CB-CE1 4.44Å; A169-F173 WeakPolarHBondContact O-CB 3.48Å; A169-F173 PolarHBondContact O-N 3.35Å; M170-F173 HydrophobicContact CE-CB 4.22Å; M170-F173 HydrophobicContact CE-CD1 3.45Å; M170-F173 VanDerWaalsContact CE-CD1 3.45Å; M170-F173 HydrophobicContact CE-CE1 4.07Å; M170-F173 HydrophobicContact CE-CG 4.06Å; M170-F173 WeakPolarHBondContact O-CB 3.46Å; M170-F173 PolarHBondContact O-N 3.22Å; M170-F173 HydrophobicContact SD-CB 4.41Å; I171-F173 VanDerWaalsContact C-N 3.29Å; I171-F173 PolarHBondContact O-N 3.47Å; F173-D175 VanDerWaalsContact C-N 3.27Å; F173-D175 PolarHBondContact O-N 3.42Å
174V95.1Very high95.6Very high6 Ų639.5 Ų39.54%0.03619%0.194CC..Hα-helixtrans-81.2-1-177.9-55.50000115.1L123 M170 I171 V172 N178 E182 L183L123-V174 HydrophobicContact CD1-CG1 3.56Å; L123-V174 HydrophobicContact CD2-CG1 3.7Å; L123-V174 HydrophobicContact CG-CG1 4.17Å; M170-V174 WeakPolarHBondContact O-CG2 3.38Å; M170-V174 PolarHBondContact O-N 3.2Å; I171-V174 WeakPolarHBondContact O-CG2 3.32Å; I171-V174 PolarHBondContact O-N 3.37Å; V172-V174 PolarHBondContact O-N 3.04Å; V174-N178 WeakPolarHBondContact O-CB 3.35Å; V174-N178 PolarHBondContact O-ND2 3.42Å; V174-E182 HydrophobicContact CB-CB 4.41Å; V174-E182 HydrophobicContact CG1-CB 4.48Å; V174-E182 HydrophobicContact CG2-CB 4.4Å; V174-L183 HydrophobicContact CB-CD1 4.47Å; V174-L183 HydrophobicContact CG1-CD1 4.15Å; V174-L183 HydrophobicContact CG1-CG 4.34Å; V174-L183 HydrophobicContact CG2-CD1 3.47Å; V174-L183 VanDerWaalsContact CG2-CD1 3.47Å; V174-L183 HydrophobicContact CG2-CG 4.01Å
175D94Very high95.4Very high44 Ų4443.9 Ų43.924%0.23523%0.225CC..  trans68.9121.4-162.5-169.8-32.3000111.4I171 V172 F173 K177 N178I171-D175 CarbonylContact O-C 3.54Å; I171-D175 PolarHBondContact O-N 2.89Å; V172-D175 PolarHBondContact O-N 3.27Å; F173-D175 VanDerWaalsContact C-N 3.27Å; F173-D175 PolarHBondContact O-N 3.42Å; D175-K177 HydrophobicContact CB-CG 4.38Å; D175-K177 PolarHBondContact O-N 3.23Å; D175-K177 WeakPolarHBondContact OD1-CD 3.47Å; D175-K177 VanDerWaalsContact OD1-CG 3.3Å; D175-K177 WeakPolarHBondContact OD1-CG 3.43Å; D175-K177 PolarHBondContact OD1-N 2.94Å; D175-K177 VanDerWaalsContact OD1-N 3.16Å; D175-K177 WeakPolarHBondContact OD2-CD 3.43Å; D175-K177 WeakPolarHBondContact OD2-CE 3.31Å; D175-K177 IonicContact OD2-NZ 3.27Å; D175-K177 PolarHBondContact OD2-NZ 3.43Å; D175-N178 PolarHBondContact O-N 2.99Å
176P94.4Very high95.4Very high26 Ų2638.4 Ų38.417%0.16921%0.205CC..G310 helixtrans-49.1-32-179.5-31.536.6000115.2I171 N178 F179 A212 L213I171-P176 HydrophobicContact CG2-CB 4.17Å; I171-P176 HydrophobicContact CG2-CG 4.16Å; P176-N178 PolarHBondContact O-N 3.29Å; P176-F179 WeakPolarHBondContact O-CB 3.42Å; P176-F179 PolarHBondContact O-N 3.41Å; P176-F179 VanDerWaalsContact O-N 3.11Å; P176-A212 WeakPolarHBondContact CB-O 3.4Å; P176-A212 WeakPolarHBondContact CG-O 3.34Å; P176-L213 HydrophobicContact CB-CD2 4.21Å
177K92.6Very high95.3Very high118 Ų11839.3 Ų39.351%0.51321%0.208SC..G310 helixtrans-63.4-25.6177.979.4-163.4-179.2-149.40113.5D175 F179D175-K177 HydrophobicContact CB-CG 4.38Å; D175-K177 PolarHBondContact O-N 3.23Å; D175-K177 WeakPolarHBondContact OD1-CD 3.47Å; D175-K177 VanDerWaalsContact OD1-CG 3.3Å; D175-K177 WeakPolarHBondContact OD1-CG 3.43Å; D175-K177 PolarHBondContact OD1-N 2.94Å; D175-K177 VanDerWaalsContact OD1-N 3.16Å; D175-K177 WeakPolarHBondContact OD2-CD 3.43Å; D175-K177 WeakPolarHBondContact OD2-CE 3.31Å; D175-K177 IonicContact OD2-NZ 3.27Å; D175-K177 PolarHBondContact OD2-NZ 3.43Å; K177-F179 VanDerWaalsContact C-N 3.35Å
178N93.9Very high95.2Very high46 Ų4644.3 Ų44.325%0.24623%0.23CC..G310 helixtrans-91.50.8-179.9-62.7-37.9000112.3V174 D175 P176 H180 M181 E182V174-N178 WeakPolarHBondContact O-CB 3.35Å; V174-N178 PolarHBondContact O-ND2 3.42Å; D175-N178 PolarHBondContact O-N 2.99Å; P176-N178 PolarHBondContact O-N 3.29Å; N178-H180 VanDerWaalsContact C-N 3.29Å; N178-H180 PolarHBondContact O-N 3.48Å; N178-M181 HydrophobicContact CB-CE 4.47Å; N178-M181 PolarHBondContact O-N 3.23Å; N178-M181 VanDerWaalsContact O-N 3.16Å; N178-E182 HydrophobicContact CB-CG 4.12Å; N178-E182 WeakPolarHBondContact O-CB 3.42Å; N178-E182 PolarHBondContact O-N 3Å
179F94.3Very high95.1Very high6 Ų644.8 Ų44.83%0.02623%0.233CC..Hα-helixtrans-49.4-47.5-175.5169.8-98.5000113.2F167 I171 P176 K177 M181 L183 Y184 F187 L213 I220F167-F179 AromaticContact CE1-CE2 3.85Å; F167-F179 HydrophobicContact CE1-CE2 3.85Å; F167-F179 AromaticContact CZ-CE2 3.73Å; F167-F179 HydrophobicContact CZ-CE2 3.73Å; I171-F179 HydrophobicContact CD1-CD2 4.18Å; I171-F179 HydrophobicContact CD1-CE2 4.15Å; I171-F179 HydrophobicContact CG1-CD2 4.03Å; I171-F179 HydrophobicContact CG1-CE2 4.31Å; I171-F179 HydrophobicContact CG2-CD2 4.47Å; P176-F179 WeakPolarHBondContact O-CB 3.42Å; P176-F179 PolarHBondContact O-N 3.41Å; P176-F179 VanDerWaalsContact O-N 3.11Å; K177-F179 VanDerWaalsContact C-N 3.35Å; F179-M181 PolarHBondContact O-N 3.13Å; F179-L183 HydrophobicContact CD2-CB 4.01Å; F179-L183 HydrophobicContact CE2-CB 4.29Å; F179-L183 CarbonylContact O-C 3.43Å; F179-L183 WeakPolarHBondContact O-CA 3.39Å; F179-L183 PolarHBondContact O-N 2.99Å; F179-Y184 HydrophobicContact CE1-CD2 4.15Å; F179-Y184 PolarHBondContact O-N 3.31Å; F179-F187 HydrophobicContact CE2-CB 4.5Å; F179-F187 HydrophobicContact CZ-CB 4.27Å; F179-F187 HydrophobicContact CZ-CD1 4.13Å; F179-F187 HydrophobicContact CZ-CG 4.25Å; F179-L213 HydrophobicContact CB-CD2 3.63Å; F179-L213 HydrophobicContact CD1-CD1 3.96Å; F179-L213 HydrophobicContact CD1-CD2 4.21Å; F179-L213 HydrophobicContact CD2-CD1 4.04Å; F179-L213 HydrophobicContact CD2-CD2 3.97Å; F179-L213 HydrophobicContact CE1-CD1 3.93Å; F179-L213 HydrophobicContact CE2-CD1 3.98Å; F179-L213 HydrophobicContact CG-CD1 4.02Å; F179-L213 HydrophobicContact CG-CD2 3.67Å; F179-L213 HydrophobicContact CZ-CD1 3.94Å; F179-I220 HydrophobicContact CB-CD1 4.45Å; F179-I220 HydrophobicContact CD1-CD1 3.86Å; F179-I220 HydrophobicContact CD1-CG1 4.47Å; F179-I220 HydrophobicContact CG-CD1 4.46Å
180H91.3Very high95.2Very high45 Ų4543.3 Ų43.321%0.20822%0.221CC..Hα-helixtrans-62.3-46.6-176.7-174.270.5000111.9N178 Y184 L223N178-H180 VanDerWaalsContact C-N 3.29Å; N178-H180 PolarHBondContact O-N 3.48Å; H180-Y184 VanDerWaalsContact O-CB 3.22Å; H180-Y184 WeakPolarHBondContact O-CB 3.5Å; H180-L223 HydrophobicContact CB-CD1 4.03Å
181M92.8Very high95.1Very high139 Ų13945.1 Ų45.169%0.68523%0.234SC*.Hα-helixtrans-70.3-41-178.8-64.3-173.8-67.500112.1N178 F179N178-M181 HydrophobicContact CB-CE 4.47Å; N178-M181 PolarHBondContact O-N 3.23Å; N178-M181 VanDerWaalsContact O-N 3.16Å; F179-M181 PolarHBondContact O-N 3.13Å
182E95.9Very high95.1Very high64 Ų6450.9 Ų50.930%0.29926%0.26SS..Hα-helixtrans-99.1-32.3-167.1-69.5-62169.800114.6L123 K127 V174 N178L123-E182 HydrophobicContact CD2-CB 4.11Å; L123-E182 HydrophobicContact CD2-CG 4.2Å; L123-E182 VanDerWaalsContact CD2-OE2 3.25Å; L123-E182 WeakPolarHBondContact CD2-OE2 3.23Å; K127-E182 WeakPolarHBondContact CE-O 3.48Å; K127-E182 PolarHBondContact NZ-O 3.37Å; K127-E182 IonicContact NZ-OE2 3.46Å; K127-E182 PolarHBondContact NZ-OE2 3.17Å; V174-E182 HydrophobicContact CB-CB 4.41Å; V174-E182 HydrophobicContact CG1-CB 4.48Å; V174-E182 HydrophobicContact CG2-CB 4.4Å; N178-E182 HydrophobicContact CB-CG 4.12Å; N178-E182 WeakPolarHBondContact O-CB 3.42Å; N178-E182 PolarHBondContact O-N 3Å
183L96.8Very high95.2Very high0 Ų047.7 Ų47.70%024%0.241CC..THydrogen-bonded Turntrans-127.6-11.2-167.7-71.7178.7000114.7L123 Y126 F167 M170 I171 V174 F179 S185 T186 F187L123-L183 HydrophobicContact CD1-CD2 3.77Å; Y126-L183 HydrophobicContact CD1-CD2 4.4Å; Y126-L183 HydrophobicContact CE1-CD2 4.24Å; F167-L183 HydrophobicContact CE2-CB 4.2Å; F167-L183 HydrophobicContact CE2-CD2 4.35Å; F167-L183 HydrophobicContact CZ-CB 4.03Å; M170-L183 HydrophobicContact CB-CD1 4.26Å; M170-L183 WeakPolarHBondContact O-CD1 3.39Å; I171-L183 HydrophobicContact CG1-CD1 4.15Å; V174-L183 HydrophobicContact CB-CD1 4.47Å; V174-L183 HydrophobicContact CG1-CD1 4.15Å; V174-L183 HydrophobicContact CG1-CG 4.34Å; V174-L183 HydrophobicContact CG2-CD1 3.47Å; V174-L183 VanDerWaalsContact CG2-CD1 3.47Å; V174-L183 HydrophobicContact CG2-CG 4.01Å; F179-L183 HydrophobicContact CD2-CB 4.01Å; F179-L183 HydrophobicContact CE2-CB 4.29Å; F179-L183 CarbonylContact O-C 3.43Å; F179-L183 WeakPolarHBondContact O-CA 3.39Å; F179-L183 PolarHBondContact O-N 2.99Å; L183-S185 PolarHBondContact O-N 2.89Å; L183-T186 CarbonylContact O-C 3.51Å; L183-T186 WeakPolarHBondContact O-CB 3.42Å; L183-T186 PolarHBondContact O-N 3.3Å; L183-T186 VanDerWaalsContact O-N 3.11Å; L183-F187 WeakPolarHBondContact O-CB 3.5Å; L183-F187 PolarHBondContact O-N 2.92Å
184Y94.1Very high95.1Very high76 Ų7650.3 Ų50.330%0.29826%0.259SS..Hα-helixtrans-58.2-45.9-178.2-178.6-99.7000112.8F179 H180 T186 F187 F188 M224F179-Y184 HydrophobicContact CE1-CD2 4.15Å; F179-Y184 PolarHBondContact O-N 3.31Å; H180-Y184 VanDerWaalsContact O-CB 3.22Å; H180-Y184 WeakPolarHBondContact O-CB 3.5Å; Y184-T186 VanDerWaalsContact C-N 3.32Å; Y184-T186 PolarHBondContact O-N 3.18Å; Y184-F187 WeakPolarHBondContact O-CB 3.46Å; Y184-F187 PolarHBondContact O-N 3.26Å; Y184-F188 WeakPolarHBondContact O-CB 3.36Å; Y184-F188 PolarHBondContact O-N 3.23Å; Y184-M224 HydrophobicContact CE2-CE 4.16Å; Y184-M224 HydrophobicContact CE2-CG 4.49Å; Y184-M224 HydrophobicContact CE2-SD 4.23Å
185S94.8Very high95.1Very high92 Ų9252.1 Ų52.164%0.64327%0.266SS*.Hα-helixtrans-62.4-39.9176.5173.10000111.8L183 F188 C189L183-S185 PolarHBondContact O-N 2.89Å; S185-F188 PolarHBondContact O-N 3.29Å; S185-C189 WeakPolarHBondContact O-CB 3.45Å; S185-C189 PolarHBondContact O-N 2.85Å
186T97.6Very high95.3Very high13 Ų1354.5 Ų54.58%0.0828%0.282CS..Hα-helixtrans-64.9-42.7175.7-53.60000111.8Y126 C130 F167 L183 Y184 C189 L190Y126-T186 HydrophobicContact CE1-CG2 3.99Å; C130-T186 HydrophobicContact CB-CG2 3.76Å; C130-T186 WeakPolarHBondContact SG-CG2 3.45Å; F167-T186 HydrophobicContact CE2-CG2 4.27Å; L183-T186 CarbonylContact O-C 3.51Å; L183-T186 WeakPolarHBondContact O-CB 3.42Å; L183-T186 PolarHBondContact O-N 3.3Å; L183-T186 VanDerWaalsContact O-N 3.11Å; Y184-T186 VanDerWaalsContact C-N 3.32Å; Y184-T186 PolarHBondContact O-N 3.18Å; T186-C189 PolarHBondContact O-N 2.72Å; T186-L190 HydrophobicContact CG2-CD1 4.23Å; T186-L190 WeakPolarHBondContact O-CG 3.16Å; T186-L190 PolarHBondContact O-N 3.44Å
187F96.9Very high95.5Very high28 Ų2855.9 Ų55.912%0.12329%0.292CS..Hα-helixtrans-59.9-48.7175.3-173-125.4000111.5F167 F179 L183 Y184 C189 L190 C191 I202 F206 V209F167-F187 AromaticContact CD1-CD2 3.83Å; F167-F187 HydrophobicContact CD1-CD2 3.83Å; F167-F187 HydrophobicContact CD1-CE2 4.3Å; F167-F187 HydrophobicContact CE1-CB 4.02Å; F167-F187 AromaticContact CE1-CD2 3.3Å; F167-F187 HydrophobicContact CE1-CD2 3.3Å; F167-F187 HydrophobicContact CE1-CE2 4Å; F167-F187 AromaticContact CE1-CG 3.91Å; F167-F187 HydrophobicContact CE1-CG 3.91Å; F167-F187 HydrophobicContact CE2-CB 4.02Å; F167-F187 HydrophobicContact CE2-CD2 4.36Å; F167-F187 HydrophobicContact CZ-CB 3.46Å; F167-F187 VanDerWaalsContact CZ-CB 3.46Å; F167-F187 AromaticContact CZ-CD2 3.67Å; F167-F187 HydrophobicContact CZ-CD2 3.67Å; F167-F187 AromaticContact CZ-CG 3.89Å; F167-F187 HydrophobicContact CZ-CG 3.89Å; F179-F187 HydrophobicContact CE2-CB 4.5Å; F179-F187 HydrophobicContact CZ-CB 4.27Å; F179-F187 HydrophobicContact CZ-CD1 4.13Å; F179-F187 HydrophobicContact CZ-CG 4.25Å; L183-F187 WeakPolarHBondContact O-CB 3.5Å; L183-F187 PolarHBondContact O-N 2.92Å; Y184-F187 WeakPolarHBondContact O-CB 3.46Å; Y184-F187 PolarHBondContact O-N 3.26Å; F187-C189 VanDerWaalsContact C-N 3.3Å; F187-C189 PolarHBondContact O-N 3.05Å; F187-L190 PolarHBondContact O-N 3.44Å; F187-C191 WeakPolarHBondContact O-CB 3.43Å; F187-C191 PolarHBondContact O-N 2.94Å; F187-C191 PolarHBondContact O-SG 3.04Å; F187-C191 VanDerWaalsContact O-SG 3.36Å; F187-I202 HydrophobicContact CD2-CD1 4.17Å; F187-I202 HydrophobicContact CD2-CG1 4.2Å; F187-I202 HydrophobicContact CE2-CD1 4Å; F187-I202 HydrophobicContact CE2-CG1 3.86Å; F187-F206 HydrophobicContact CE1-CE2 4.16Å; F187-F206 AromaticContact CZ-CD2 3.84Å; F187-F206 HydrophobicContact CZ-CD2 3.84Å; F187-F206 AromaticContact CZ-CE2 3.53Å; F187-F206 HydrophobicContact CZ-CE2 3.53Å; F187-V209 HydrophobicContact CE2-CG1 4.21Å; F187-V209 HydrophobicContact CE2-CG2 4.3Å; F187-V209 HydrophobicContact CZ-CG1 4.2Å
188F94.9Very high95.8Very high106 Ų10650.3 Ų50.347%0.46527%0.267SS..Hα-helixtrans-57.8-45.7177-177.4-88.8000110.9Y184 S185 C191 H192Y184-F188 WeakPolarHBondContact O-CB 3.36Å; Y184-F188 PolarHBondContact O-N 3.23Å; S185-F188 PolarHBondContact O-N 3.29Å; F188-C191 PolarHBondContact O-N 3.47Å; F188-H192 AromaticContact CD1-ND1 3.88Å; F188-H192 AromaticContact CD2-CE1 3.59Å; F188-H192 AromaticContact CD2-ND1 3.74Å; F188-H192 AromaticContact CE1-ND1 3.75Å; F188-H192 AromaticContact CE2-CE1 3.21Å; F188-H192 WeakPolarHBondContact CE2-CE1 3.39Å; F188-H192 AromaticContact CE2-ND1 3.62Å; F188-H192 AromaticContact CE2-NE2 3.91Å; F188-H192 AromaticContact CG-ND1 3.87Å; F188-H192 AromaticContact CZ-CE1 3.51Å; F188-H192 AromaticContact CZ-ND1 3.62Å; F188-H192 AromaticContact CZ-NE2 3.92Å; F188-H192 PolarHBondContact O-N 3.23Å; F188-H192 PolarHBondContact O-ND1 3.18Å
189C95.9Very high96Very high29 Ų2952.4 Ų52.420%0.19627%0.272CS..Hα-helixtrans-60-46.5178-176.80000112.3S185 T186 F187 C191 H192 D193S185-C189 WeakPolarHBondContact O-CB 3.45Å; S185-C189 PolarHBondContact O-N 2.85Å; T186-C189 PolarHBondContact O-N 2.72Å; F187-C189 VanDerWaalsContact C-N 3.3Å; F187-C189 PolarHBondContact O-N 3.05Å; C189-C191 PolarHBondContact O-N 3.32Å; C189-H192 CarbonylContact O-C 3.34Å; C189-H192 PolarHBondContact O-N 3.01Å; C189-D193 PolarHBondContact O-N 3.02Å
190L97.4Very high96.2Very high0 Ų057.7 Ų57.70%030%0.296CS..Hα-helixtrans-66.1-36.6178.8-68.1168.1000112.5C130 C163 A164 F167 T186 F187 H192 D193 V198 I202C130-L190 HydrophobicContact CB-CD2 4.23Å; C163-L190 HydrophobicContact CB-CD2 4.48Å; A164-L190 HydrophobicContact CB-CD2 4.31Å; F167-L190 HydrophobicContact CB-CD1 4.48Å; F167-L190 HydrophobicContact CD2-CD1 3.73Å; F167-L190 HydrophobicContact CE2-CD1 4.43Å; F167-L190 HydrophobicContact CG-CD1 4.34Å; T186-L190 HydrophobicContact CG2-CD1 4.23Å; T186-L190 WeakPolarHBondContact O-CG 3.16Å; T186-L190 PolarHBondContact O-N 3.44Å; F187-L190 PolarHBondContact O-N 3.44Å; L190-H192 VanDerWaalsContact C-N 3.28Å; L190-H192 PolarHBondContact O-N 3.15Å; L190-D193 PolarHBondContact O-N 3.43Å; L190-V198 HydrophobicContact CD2-CG1 3.93Å; L190-I202 HydrophobicContact CB-CG1 4.31Å
191C96.9Very high96.5Very high39 Ų3956.4 Ų56.426%0.26429%0.291SS..Hα-helixtrans-66.5-29.5174.5-73.50000112.8F187 F188 C189 R199F187-C191 WeakPolarHBondContact O-CB 3.43Å; F187-C191 PolarHBondContact O-N 2.94Å; F187-C191 PolarHBondContact O-SG 3.04Å; F187-C191 VanDerWaalsContact O-SG 3.36Å; F188-C191 PolarHBondContact O-N 3.47Å; C189-C191 PolarHBondContact O-N 3.32Å; C191-R199 VanDerWaalsContact O-CD 3.23Å; C191-R199 WeakPolarHBondContact O-CD 3.41Å; C191-R199 WeakPolarHBondContact O-CG 3.42Å
192H95.8Very high96.8Very high120 Ų12049.9 Ų49.956%0.55626%0.26SS*.THydrogen-bonded Turntrans-107.214.7-180-62.283.7000113.2F188 C189 L190F188-H192 AromaticContact CD1-ND1 3.88Å; F188-H192 AromaticContact CD2-CE1 3.59Å; F188-H192 AromaticContact CD2-ND1 3.74Å; F188-H192 AromaticContact CE1-ND1 3.75Å; F188-H192 AromaticContact CE2-CE1 3.21Å; F188-H192 WeakPolarHBondContact CE2-CE1 3.39Å; F188-H192 AromaticContact CE2-ND1 3.62Å; F188-H192 AromaticContact CE2-NE2 3.91Å; F188-H192 AromaticContact CG-ND1 3.87Å; F188-H192 AromaticContact CZ-CE1 3.51Å; F188-H192 AromaticContact CZ-ND1 3.62Å; F188-H192 AromaticContact CZ-NE2 3.92Å; F188-H192 PolarHBondContact O-N 3.23Å; F188-H192 PolarHBondContact O-ND1 3.18Å; C189-H192 CarbonylContact O-C 3.34Å; C189-H192 PolarHBondContact O-N 3.01Å; L190-H192 VanDerWaalsContact C-N 3.28Å; L190-H192 PolarHBondContact O-N 3.15Å
193D96.8Very high96.9Very high1 Ų149.9 Ų49.91%0.00527%0.27CS..  trans-55.3139.3179-165.6-73.4000109.9R160 C189 L190 E195 V198 R199R160-D193 WeakPolarHBondContact CD-OD2 3.32Å; R160-D193 IonicContact CZ-OD1 3.66Å; R160-D193 IonicContact CZ-OD2 3.64Å; R160-D193 IonicContact NE-OD1 2.65Å; R160-D193 PolarHBondContact NE-OD1 2.84Å; R160-D193 IonicContact NE-OD2 3.49Å; R160-D193 PolarHBondContact NE-OD2 3.46Å; R160-D193 IonicContact NH2-OD1 2.92Å; R160-D193 PolarHBondContact NH2-OD1 3.19Å; R160-D193 IonicContact NH2-OD2 2.69Å; C189-D193 PolarHBondContact O-N 3.02Å; L190-D193 PolarHBondContact O-N 3.43Å; D193-E195 PolarHBondContact O-N 3.36Å; D193-E195 VanDerWaalsContact O-N 3.14Å; D193-E195 WeakPolarHBondContact OD1-CB 3.45Å; D193-E195 PolarHBondContact OD1-N 3.38Å; D193-V198 HydrophobicContact CB-CB 3.76Å; D193-V198 HydrophobicContact CB-CG1 3.7Å; D193-V198 HydrophobicContact CB-CG2 4.44Å; D193-R199 HydrophobicContact CB-CG 4.19Å; D193-R199 WeakPolarHBondContact O-CD 3.21Å; D193-R199 VanDerWaalsContact O-CG 3.3Å; D193-R199 WeakPolarHBondContact O-CG 3.35Å; D193-R199 PolarHBondContact O-NH1 3.12Å
194P94.9Very high96.9Very high59 Ų5955 Ų5538%0.38330%0.296SS..SBendtrans-59.3-26.4178.922.5-34.3000113L134 R199L134-P194 HydrophobicContact CD2-CG 3.6Å; P194-R199 PolarHBondContact O-NH1 2.82Å
195E96Very high96.9Very high43 Ų4351.7 Ų51.720%0.20129%0.285CS..SBendtrans-95.7121.6-171.1-66.1-74.4125.600112.2T157 D193 P197 V198 R199T157-E195 HydrophobicContact CG2-CB 3.71Å; T157-E195 HydrophobicContact CG2-CG 4.05Å; T157-E195 WeakPolarHBondContact OG1-CG 3.29Å; T157-E195 PolarHBondContact OG1-OE2 3.01Å; D193-E195 PolarHBondContact O-N 3.36Å; D193-E195 VanDerWaalsContact O-N 3.14Å; D193-E195 WeakPolarHBondContact OD1-CB 3.45Å; D193-E195 PolarHBondContact OD1-N 3.38Å; E195-P197 VanDerWaalsContact C-CD 3.4Å; E195-P197 VanDerWaalsContact C-N 3.33Å; E195-V198 HydrophobicContact CB-CG2 4.16Å; E195-V198 PolarHBondContact O-N 3.08Å; E195-R199 PolarHBondContact O-N 3.33Å
196V97.6Very high96.8Very high94 Ų9451.7 Ų51.757%0.5727%0.273SS*.Hα-helixtrans-51-43.2-178.5177.40000113.1V198 R199 H200V196-V198 PolarHBondContact O-N 3.04Å; V196-R199 PolarHBondContact O-N 2.7Å; V196-H200 VanDerWaalsContact O-CB 3.28Å; V196-H200 WeakPolarHBondContact O-CB 3.28Å; V196-H200 PolarHBondContact O-N 3.04Å
197P98.2Very high96.6Very high56 Ų5659 Ų5936%0.36430%0.3SS..Hα-helixtrans-60.6-30.7-180-25.436.3000114.1T157 K161 E195 T201T157-P197 HydrophobicContact CG2-CB 4.46Å; T157-P197 HydrophobicContact CG2-CG 4.42Å; K161-P197 HydrophobicContact CD-CB 4.31Å; E195-P197 VanDerWaalsContact C-CD 3.4Å; E195-P197 VanDerWaalsContact C-N 3.33Å; P197-T201 WeakPolarHBondContact O-CB 3.35Å; P197-T201 PolarHBondContact O-N 3.47Å; P197-T201 VanDerWaalsContact O-N 3.14Å; P197-T201 PolarHBondContact O-OG1 3.46Å
198V98.6Very high96.5Very high0 Ų061.7 Ų61.70%031%0.314CS..Hα-helixtrans-72.2-52.1178.1-174.80000109.5T157 R160 K161 A164 L190 D193 E195 V196 H200 T201 I202T157-V198 HydrophobicContact CG2-CG2 4.14Å; R160-V198 HydrophobicContact CB-CG1 4.27Å; R160-V198 HydrophobicContact CB-CG2 3.97Å; K161-V198 HydrophobicContact CB-CG2 4.17Å; A164-V198 HydrophobicContact CB-CG1 4.17Å; L190-V198 HydrophobicContact CD2-CG1 3.93Å; D193-V198 HydrophobicContact CB-CB 3.76Å; D193-V198 HydrophobicContact CB-CG1 3.7Å; D193-V198 HydrophobicContact CB-CG2 4.44Å; E195-V198 HydrophobicContact CB-CG2 4.16Å; E195-V198 PolarHBondContact O-N 3.08Å; V196-V198 PolarHBondContact O-N 3.04Å; V198-H200 VanDerWaalsContact C-N 3.29Å; V198-H200 PolarHBondContact O-N 3.14Å; V198-T201 PolarHBondContact O-N 3.34Å; V198-I202 PolarHBondContact O-N 2.99Å
199R98.4Very high96.5Very high91 Ų9156.8 Ų56.834%0.34329%0.292SS..Hα-helixtrans-58.6-40.4177.6-60-162.7-58.4-83.57.5112.5C191 D193 P194 E195 V196 T201 I202 A203C191-R199 VanDerWaalsContact O-CD 3.23Å; C191-R199 WeakPolarHBondContact O-CD 3.41Å; C191-R199 WeakPolarHBondContact O-CG 3.42Å; D193-R199 HydrophobicContact CB-CG 4.19Å; D193-R199 WeakPolarHBondContact O-CD 3.21Å; D193-R199 VanDerWaalsContact O-CG 3.3Å; D193-R199 WeakPolarHBondContact O-CG 3.35Å; D193-R199 PolarHBondContact O-NH1 3.12Å; P194-R199 PolarHBondContact O-NH1 2.82Å; E195-R199 PolarHBondContact O-N 3.33Å; V196-R199 PolarHBondContact O-N 2.7Å; R199-T201 VanDerWaalsContact C-N 3.35Å; R199-I202 VanDerWaalsContact O-CG2 3.28Å; R199-I202 WeakPolarHBondContact O-CG2 3.21Å; R199-A203 WeakPolarHBondContact O-CB 3.45Å; R199-A203 PolarHBondContact O-N 3.48Å; R199-A203 VanDerWaalsContact O-N 3.08Å
200H98.6Very high96.3Very high117 Ų11758.8 Ų58.854%0.54230%0.301SS..Hα-helixtrans-63.6-40.8175.4178.7-90000111.9V196 V198 A203 I204V196-H200 VanDerWaalsContact O-CB 3.28Å; V196-H200 WeakPolarHBondContact O-CB 3.28Å; V196-H200 PolarHBondContact O-N 3.04Å; V198-H200 VanDerWaalsContact C-N 3.29Å; V198-H200 PolarHBondContact O-N 3.14Å; H200-A203 PolarHBondContact O-N 3.18Å; H200-I204 WeakPolarHBondContact CE1-CD1 3.43Å; H200-I204 WeakPolarHBondContact O-CG1 3.21Å; H200-I204 PolarHBondContact O-N 3.46Å; H200-I204 VanDerWaalsContact O-N 3.12Å
201T98.6Very high96.1Very high17 Ų1763.2 Ų63.210%0.10432%0.324CS..Hα-helixtrans-68.1-45.4-179.6-57.80000111.4K161 A164 P197 V198 R199 A203 I204 C205K161-T201 HydrophobicContact CG-CG2 4.39Å; K161-T201 WeakPolarHBondContact CG-OG1 3.36Å; A164-T201 HydrophobicContact CB-CG2 4.01Å; P197-T201 WeakPolarHBondContact O-CB 3.35Å; P197-T201 PolarHBondContact O-N 3.47Å; P197-T201 VanDerWaalsContact O-N 3.14Å; P197-T201 PolarHBondContact O-OG1 3.46Å; V198-T201 PolarHBondContact O-N 3.34Å; R199-T201 VanDerWaalsContact C-N 3.35Å; T201-A203 VanDerWaalsContact C-N 3.27Å; T201-A203 PolarHBondContact O-N 2.85Å; T201-I204 PolarHBondContact O-N 3.37Å; T201-C205 PolarHBondContact O-N 3.39Å; T201-C205 PolarHBondContact O-SG 3.49Å
202I97.8Very high96Very high3 Ų362.6 Ų62.62%0.01532%0.322CS..Hα-helixtrans-66-32.7178.1-165.861000111.9A164 F167 F187 L190 V198 R199 C205 F206A164-I202 HydrophobicContact CB-CB 3.95Å; A164-I202 HydrophobicContact CB-CD1 4.41Å; F167-I202 HydrophobicContact CB-CD1 3.76Å; F167-I202 HydrophobicContact CD1-CD1 3.98Å; F167-I202 HydrophobicContact CG-CD1 3.92Å; F187-I202 HydrophobicContact CD2-CD1 4.17Å; F187-I202 HydrophobicContact CD2-CG1 4.2Å; F187-I202 HydrophobicContact CE2-CD1 4Å; F187-I202 HydrophobicContact CE2-CG1 3.86Å; L190-I202 HydrophobicContact CB-CG1 4.31Å; V198-I202 PolarHBondContact O-N 2.99Å; R199-I202 VanDerWaalsContact O-CG2 3.28Å; R199-I202 WeakPolarHBondContact O-CG2 3.21Å; I202-C205 PolarHBondContact O-N 2.69Å; I202-F206 PolarHBondContact O-N 3.08Å
203A97.6Very high95.9Very high64 Ų6457.1 Ų57.153%0.52930%0.297SS..Hα-helixtrans-65.6-37.3174.400000112.6R199 H200 T201 C205 F206R199-A203 WeakPolarHBondContact O-CB 3.45Å; R199-A203 PolarHBondContact O-N 3.48Å; R199-A203 VanDerWaalsContact O-N 3.08Å; H200-A203 PolarHBondContact O-N 3.18Å; T201-A203 VanDerWaalsContact C-N 3.27Å; T201-A203 PolarHBondContact O-N 2.85Å; A203-C205 VanDerWaalsContact C-N 3.34Å; A203-F206 VanDerWaalsContact O-CB 3.32Å; A203-F206 WeakPolarHBondContact O-CB 3.37Å; A203-F206 PolarHBondContact O-N 3.05Å
204I97.3Very high95.6Very high106 Ų10661.7 Ų61.754%0.54432%0.32SS..Hα-helixtrans-61.9-44.5173.2-72.4168.8000110.5H200 T201 F206H200-I204 WeakPolarHBondContact CE1-CD1 3.43Å; H200-I204 WeakPolarHBondContact O-CG1 3.21Å; H200-I204 PolarHBondContact O-N 3.46Å; H200-I204 VanDerWaalsContact O-N 3.12Å; T201-I204 PolarHBondContact O-N 3.37Å; I204-F206 PolarHBondContact O-N 3.26Å
205C95.3Very high95.4Very high8 Ų865.5 Ų65.55%0.05434%0.337CS..THydrogen-bonded Turntrans-75.7-0.1-177.9-62.50000114.2P168 T201 I202 A203 Y207 E208 V209P168-C205 HydrophobicContact CG-CB 3.93Å; T201-C205 PolarHBondContact O-N 3.39Å; T201-C205 PolarHBondContact O-SG 3.49Å; I202-C205 PolarHBondContact O-N 2.69Å; A203-C205 VanDerWaalsContact C-N 3.34Å; C205-Y207 PolarHBondContact O-N 3.03Å; C205-E208 WeakPolarHBondContact CA-OE2 3.36Å; C205-E208 PolarHBondContact O-N 3.26Å; C205-E208 VanDerWaalsContact O-N 3.17Å; C205-V209 WeakPolarHBondContact O-CG2 3.42Å; C205-V209 PolarHBondContact O-N 3.43Å
206F92Very high95.1Very high92 Ų9265.5 Ų65.540%0.40434%0.337SS..Hα-helixtrans-63.6-31.9-171.7-159.5-90.5000112.2F187 I202 A203 I204 V209 L210F187-F206 HydrophobicContact CE1-CE2 4.16Å; F187-F206 AromaticContact CZ-CD2 3.84Å; F187-F206 HydrophobicContact CZ-CD2 3.84Å; F187-F206 AromaticContact CZ-CE2 3.53Å; F187-F206 HydrophobicContact CZ-CE2 3.53Å; I202-F206 PolarHBondContact O-N 3.08Å; A203-F206 VanDerWaalsContact O-CB 3.32Å; A203-F206 WeakPolarHBondContact O-CB 3.37Å; A203-F206 PolarHBondContact O-N 3.05Å; I204-F206 PolarHBondContact O-N 3.26Å; F206-V209 PolarHBondContact O-N 2.88Å; F206-L210 HydrophobicContact CD1-CD1 3.81Å; F206-L210 HydrophobicContact CD1-CG 3.97Å; F206-L210 HydrophobicContact CE1-CD1 3.8Å; F206-L210 HydrophobicContact CE1-CD2 4.08Å; F206-L210 HydrophobicContact CE1-CG 3.91Å; F206-L210 WeakPolarHBondContact O-CG 3.21Å; F206-L210 PolarHBondContact O-N 3.38Å
207Y93.3Very high94.4Very high165 Ų16563.3 Ų63.365%0.64732%0.322SS*.Hα-helixtrans-62.7-49.2174.4173.6-94.9000111.3C205 V209 L210 D211C205-Y207 PolarHBondContact O-N 3.03Å; Y207-V209 VanDerWaalsContact C-N 3.27Å; Y207-V209 PolarHBondContact O-N 3.33Å; Y207-L210 PolarHBondContact O-N 3.25Å; Y207-L210 VanDerWaalsContact O-N 3.14Å; Y207-D211 WeakPolarHBondContact O-CB 3.49Å; Y207-D211 PolarHBondContact O-N 2.88Å
208E95.8Very high93.7Very high86 Ų8664.9 Ų64.940%0.40233%0.332SS..Hα-helixtrans-64.6-31.8178.1-62.69613500112.3P168 C205 A212P168-E208 HydrophobicContact CB-CB 3.83Å; P168-E208 HydrophobicContact CG-CB 3.76Å; C205-E208 WeakPolarHBondContact CA-OE2 3.36Å; C205-E208 PolarHBondContact O-N 3.26Å; C205-E208 VanDerWaalsContact O-N 3.17Å; E208-A212 VanDerWaalsContact O-CB 3.28Å; E208-A212 WeakPolarHBondContact O-CB 3.3Å; E208-A212 PolarHBondContact O-N 3.03Å
209V93.6Very high92.9Very high3 Ų370.1 Ų70.12%0.01836%0.357CS..Hα-helixtrans-62.8-48.2171.1171.20000110.9F167 P168 I171 F187 C205 F206 Y207 A212 L213F167-V209 HydrophobicContact CD1-CG2 3.67Å; F167-V209 HydrophobicContact CE1-CG1 4.47Å; F167-V209 HydrophobicContact CE1-CG2 4.1Å; P168-V209 HydrophobicContact CG-CG2 4.16Å; I171-V209 HydrophobicContact CD1-CB 4.16Å; I171-V209 HydrophobicContact CD1-CG1 3.8Å; I171-V209 HydrophobicContact CD1-CG2 4.02Å; F187-V209 HydrophobicContact CE2-CG1 4.21Å; F187-V209 HydrophobicContact CE2-CG2 4.3Å; F187-V209 HydrophobicContact CZ-CG1 4.2Å; C205-V209 WeakPolarHBondContact O-CG2 3.42Å; C205-V209 PolarHBondContact O-N 3.43Å; F206-V209 PolarHBondContact O-N 2.88Å; Y207-V209 VanDerWaalsContact C-N 3.27Å; Y207-V209 PolarHBondContact O-N 3.33Å; V209-A212 PolarHBondContact O-N 3.14Å; V209-L213 HydrophobicContact CG1-CD1 3.92Å; V209-L213 WeakPolarHBondContact O-CB 3.28Å; V209-L213 VanDerWaalsContact O-CG 3.25Å; V209-L213 WeakPolarHBondContact O-CG 3.23Å; V209-L213 PolarHBondContact O-N 2.93Å; V209-L213 VanDerWaalsContact O-N 3.15Å
210L91.9Very high91.8Very high71 Ų7166.4 Ų66.437%0.37234%0.344SS..Hα-helixtrans-64.1-41.5178.2-70.1177000112F206 Y207 L213 I214 L217F206-L210 HydrophobicContact CD1-CD1 3.81Å; F206-L210 HydrophobicContact CD1-CG 3.97Å; F206-L210 HydrophobicContact CE1-CD1 3.8Å; F206-L210 HydrophobicContact CE1-CD2 4.08Å; F206-L210 HydrophobicContact CE1-CG 3.91Å; F206-L210 WeakPolarHBondContact O-CG 3.21Å; F206-L210 PolarHBondContact O-N 3.38Å; Y207-L210 PolarHBondContact O-N 3.25Å; Y207-L210 VanDerWaalsContact O-N 3.14Å; L210-L213 CarbonylContact O-C 3.6Å; L210-L213 PolarHBondContact O-N 2.65Å; L210-I214 WeakPolarHBondContact O-CA 3.4Å; L210-I214 PolarHBondContact O-N 3.49Å; L210-L217 HydrophobicContact CD2-CD2 4.18Å
211D94.2Very high90.8Very high92 Ų9265.9 Ų65.949%0.49234%0.344SS..Hα-helixtrans-62.1-46.2177.8-170.861.4000111.3Y207 L213 I214Y207-D211 WeakPolarHBondContact O-CB 3.49Å; Y207-D211 PolarHBondContact O-N 2.88Å; D211-L213 PolarHBondContact O-N 2.92Å; D211-I214 VanDerWaalsContact O-CG2 3.32Å; D211-I214 WeakPolarHBondContact O-CG2 3.37Å; D211-I214 PolarHBondContact O-N 2.84Å
212A93.4Very high89.8Confident26 Ų2671.2 Ų71.222%0.21537%0.368CS..Hα-helixtrans-62.2-28.4176.300000113.3I171 P176 E208 V209I171-A212 HydrophobicContact CB-CB 4.37Å; I171-A212 HydrophobicContact CD1-CB 4.4Å; I171-A212 HydrophobicContact CG2-CB 4.02Å; P176-A212 WeakPolarHBondContact CB-O 3.4Å; P176-A212 WeakPolarHBondContact CG-O 3.34Å; E208-A212 VanDerWaalsContact O-CB 3.28Å; E208-A212 WeakPolarHBondContact O-CB 3.3Å; E208-A212 PolarHBondContact O-N 3.03Å; V209-A212 PolarHBondContact O-N 3.14Å
213L93.3Very high88.5Confident6 Ų674.5 Ų74.53%0.03139%0.385CS..Hα-helixtrans-98.8-1.8-178.1-63.6176.2000113.6I171 P176 F179 V209 L210 D211 N215 H216 L217 I220I171-L213 HydrophobicContact CD1-CD1 4.42Å; I171-L213 HydrophobicContact CD1-CG 4.31Å; I171-L213 HydrophobicContact CG2-CD2 3.61Å; I171-L213 HydrophobicContact CG2-CG 4.27Å; P176-L213 HydrophobicContact CB-CD2 4.21Å; F179-L213 HydrophobicContact CB-CD2 3.63Å; F179-L213 HydrophobicContact CD1-CD1 3.96Å; F179-L213 HydrophobicContact CD1-CD2 4.21Å; F179-L213 HydrophobicContact CD2-CD1 4.04Å; F179-L213 HydrophobicContact CD2-CD2 3.97Å; F179-L213 HydrophobicContact CE1-CD1 3.93Å; F179-L213 HydrophobicContact CE2-CD1 3.98Å; F179-L213 HydrophobicContact CG-CD1 4.02Å; F179-L213 HydrophobicContact CG-CD2 3.67Å; F179-L213 HydrophobicContact CZ-CD1 3.94Å; V209-L213 HydrophobicContact CG1-CD1 3.92Å; V209-L213 WeakPolarHBondContact O-CB 3.28Å; V209-L213 VanDerWaalsContact O-CG 3.25Å; V209-L213 WeakPolarHBondContact O-CG 3.23Å; V209-L213 PolarHBondContact O-N 2.93Å; V209-L213 VanDerWaalsContact O-N 3.15Å; L210-L213 CarbonylContact O-C 3.6Å; L210-L213 PolarHBondContact O-N 2.65Å; D211-L213 PolarHBondContact O-N 2.92Å; L213-N215 PolarHBondContact O-N 2.95Å; L213-H216 CarbonylContact O-C 3.58Å; L213-H216 WeakPolarHBondContact O-CA 3.39Å; L213-H216 PolarHBondContact O-N 3.29Å; L213-L217 HydrophobicContact CB-CD2 4.36Å; L213-L217 HydrophobicContact CB-CG 4.48Å; L213-L217 PolarHBondContact O-N 3.14Å; L213-I220 HydrophobicContact CB-CD1 4.26Å; L213-I220 HydrophobicContact CD1-CD1 4.14Å; L213-I220 HydrophobicContact CD2-CD1 3.87Å; L213-I220 HydrophobicContact CG-CD1 4.31Å
214I91.6Very high87.1Confident97 Ų9776.2 Ų76.250%0.49738%0.383SS..THydrogen-bonded Turntrans-55-37.8-164.3-163169000113.7L210 D211 H216 L217L210-I214 WeakPolarHBondContact O-CA 3.4Å; L210-I214 PolarHBondContact O-N 3.49Å; D211-I214 VanDerWaalsContact O-CG2 3.32Å; D211-I214 WeakPolarHBondContact O-CG2 3.37Å; D211-I214 PolarHBondContact O-N 2.84Å; I214-H216 VanDerWaalsContact C-N 3.29Å; I214-H216 PolarHBondContact O-N 3.1Å; I214-L217 HydrophobicContact CG1-CD1 4.4Å
215N90.3Very high85.7Confident138 Ų13875.8 Ų75.874%0.73839%0.39SS*.THydrogen-bonded Turntrans-77.3-13.6179.6-63.5-44.8000113.8L213L213-N215 PolarHBondContact O-N 2.95Å
216H89.1Confident84.1Confident43 Ų4379.5 Ų79.520%0.19941%0.412CS..THydrogen-bonded Turntrans-114.5-3.3-179-63.1-73.7000113L213 I214 P218 E219 I220L213-H216 CarbonylContact O-C 3.58Å; L213-H216 WeakPolarHBondContact O-CA 3.39Å; L213-H216 PolarHBondContact O-N 3.29Å; I214-H216 VanDerWaalsContact C-N 3.29Å; I214-H216 PolarHBondContact O-N 3.1Å; H216-P218 VanDerWaalsContact C-CD 3.44Å; H216-P218 VanDerWaalsContact C-N 3.34Å; H216-E219 IonicContact ND1-OE2 2.89Å; H216-E219 PolarHBondContact ND1-OE2 3.49Å; H216-E219 PolarHBondContact O-N 3.32Å; H216-I220 HydrophobicContact CB-CD1 4.03Å; H216-I220 WeakPolarHBondContact O-CG1 3.19Å; H216-I220 PolarHBondContact O-N 2.97Å
217L83.1Confident82.2Confident49 Ų4977.6 Ų77.626%0.25742%0.419SS..Hα-helixtrans-52.3-43179.3-80.8174.9000113.5L210 L213 I214 E219 I220 L221L210-L217 HydrophobicContact CD2-CD2 4.18Å; L213-L217 HydrophobicContact CB-CD2 4.36Å; L213-L217 HydrophobicContact CB-CG 4.48Å; L213-L217 PolarHBondContact O-N 3.14Å; I214-L217 HydrophobicContact CG1-CD1 4.4Å; L217-E219 PolarHBondContact O-N 3.46Å; L217-I220 PolarHBondContact O-N 3.37Å; L217-L221 WeakPolarHBondContact O-CB 3.45Å; L217-L221 WeakPolarHBondContact O-CG 3.47Å; L217-L221 PolarHBondContact O-N 3.38Å
218P84.3Confident80.2Confident89 Ų8971.7 Ų71.758%0.57841%0.408SS*.Hα-helixtrans-59.2-45.9178.5-24.635.3000112.9H216 L221 E222H216-P218 VanDerWaalsContact C-CD 3.44Å; H216-P218 VanDerWaalsContact C-N 3.34Å; P218-L221 PolarHBondContact O-N 2.71Å; P218-E222 WeakPolarHBondContact O-CB 3.43Å; P218-E222 PolarHBondContact O-N 3.01Å
219E82.1Confident77.6Confident110 Ų11075.8 Ų75.851%0.51443%0.427SS..Hα-helixtrans-65-42.3179.7-60171.2165.800110.9H216 L217 E222 L223H216-E219 IonicContact ND1-OE2 2.89Å; H216-E219 PolarHBondContact ND1-OE2 3.49Å; H216-E219 PolarHBondContact O-N 3.32Å; L217-E219 PolarHBondContact O-N 3.46Å; E219-E222 PolarHBondContact O-N 3.3Å; E219-L223 WeakPolarHBondContact O-CG 3.4Å; E219-L223 PolarHBondContact O-N 2.89Å
220I75.4Confident75Confident13 Ų1383.7 Ų83.77%0.06747%0.469CS..Hα-helixtrans-66.6-43178.7-65.9167.1000111F179 L213 H216 L217 E222 L223 M224F179-I220 HydrophobicContact CB-CD1 4.45Å; F179-I220 HydrophobicContact CD1-CD1 3.86Å; F179-I220 HydrophobicContact CD1-CG1 4.47Å; F179-I220 HydrophobicContact CG-CD1 4.46Å; L213-I220 HydrophobicContact CB-CD1 4.26Å; L213-I220 HydrophobicContact CD1-CD1 4.14Å; L213-I220 HydrophobicContact CD2-CD1 3.87Å; L213-I220 HydrophobicContact CG-CD1 4.31Å; H216-I220 HydrophobicContact CB-CD1 4.03Å; H216-I220 WeakPolarHBondContact O-CG1 3.19Å; H216-I220 PolarHBondContact O-N 2.97Å; L217-I220 PolarHBondContact O-N 3.37Å; I220-E222 VanDerWaalsContact C-N 3.33Å; I220-E222 PolarHBondContact O-N 3.11Å; I220-L223 PolarHBondContact O-N 3.21Å; I220-M224 HydrophobicContact CG2-SD 4.16Å; I220-M224 VanDerWaalsContact O-CG 3.29Å; I220-M224 WeakPolarHBondContact O-CG 3.16Å; I220-M224 PolarHBondContact O-N 2.69Å
221L77.4Confident72.4Confident105 Ų10585.1 Ų85.155%0.5549%0.485SS..Hα-helixtrans-66-36177.7-71.6172.4000111.9L217 P218 M224 S225L217-L221 WeakPolarHBondContact O-CB 3.45Å; L217-L221 WeakPolarHBondContact O-CG 3.47Å; L217-L221 PolarHBondContact O-N 3.38Å; P218-L221 PolarHBondContact O-N 2.71Å; L221-M224 PolarHBondContact O-N 2.7Å; L221-S225 WeakPolarHBondContact O-CB 3.33Å; L221-S225 PolarHBondContact O-N 2.82Å; L221-S225 PolarHBondContact O-OG 3.42Å
222E78Confident69.5Low129 Ų12991.1 Ų91.160%0.60353%0.525SS*.Hα-helixtrans-62.7-50.8172.5-169.4171.8-173.800110.7P218 E219 I220 M224 S225 T226P218-E222 WeakPolarHBondContact O-CB 3.43Å; P218-E222 PolarHBondContact O-N 3.01Å; E219-E222 PolarHBondContact O-N 3.3Å; I220-E222 VanDerWaalsContact C-N 3.33Å; I220-E222 PolarHBondContact O-N 3.11Å; E222-M224 VanDerWaalsContact C-N 3.28Å; E222-M224 PolarHBondContact O-N 3.3Å; E222-S225 WeakPolarHBondContact CA-OG 3.48Å; E222-S225 PolarHBondContact O-N 3.13Å; E222-S225 PolarHBondContact O-OG 3.46Å; E222-T226 HydrophobicContact CG-CG2 4.35Å; E222-T226 WeakPolarHBondContact O-CG2 3.12Å; E222-T226 PolarHBondContact O-N 3.43Å; E222-T226 PolarHBondContact O-OG1 2.91Å; E222-T226 VanDerWaalsContact O-OG1 3.1Å
223L70.2Confident68.3Low72 Ų7294.4 Ų94.438%0.37754%0.54SS..Hα-helixtrans-56.2-39.6176.1-72.8167.5000113.2H180 E219 I220 G227 G228H180-L223 HydrophobicContact CB-CD1 4.03Å; E219-L223 WeakPolarHBondContact O-CG 3.4Å; E219-L223 PolarHBondContact O-N 2.89Å; I220-L223 PolarHBondContact O-N 3.21Å; L223-G227 PolarHBondContact O-N 2.76Å; L223-G228 PolarHBondContact O-N 3.15Å
224M67.2Low67Low100 Ų10099.1 Ų99.149%0.49357%0.567SS.*Hα-helixtrans-71.3-30.9177.7-72-177.672.300113.2Y184 I220 L221 E222Y184-M224 HydrophobicContact CE2-CE 4.16Å; Y184-M224 HydrophobicContact CE2-CG 4.49Å; Y184-M224 HydrophobicContact CE2-SD 4.23Å; I220-M224 HydrophobicContact CG2-SD 4.16Å; I220-M224 VanDerWaalsContact O-CG 3.29Å; I220-M224 WeakPolarHBondContact O-CG 3.16Å; I220-M224 PolarHBondContact O-N 2.69Å; L221-M224 PolarHBondContact O-N 2.7Å; E222-M224 VanDerWaalsContact C-N 3.28Å; E222-M224 PolarHBondContact O-N 3.3Å
225S68.3Low65.7Low97 Ų9799.2 Ų99.268%0.67857%0.571SS**Hα-helixtrans-87.2-26.4-178.852.90000113.3L221 E222 G227L221-S225 WeakPolarHBondContact O-CB 3.33Å; L221-S225 PolarHBondContact O-N 2.82Å; L221-S225 PolarHBondContact O-OG 3.42Å; E222-S225 WeakPolarHBondContact CA-OG 3.48Å; E222-S225 PolarHBondContact O-N 3.13Å; E222-S225 PolarHBondContact O-OG 3.46Å; S225-G227 VanDerWaalsContact C-N 3.33Å
226T61.7Low64.2Low86 Ų8696.9 Ų96.953%0.52856%0.561SS.*THydrogen-bonded Turntrans-87.30.2174.561.70000113.6E222E222-T226 HydrophobicContact CG-CG2 4.35Å; E222-T226 WeakPolarHBondContact O-CG2 3.12Å; E222-T226 PolarHBondContact O-N 3.43Å; E222-T226 PolarHBondContact O-OG1 2.91Å; E222-T226 VanDerWaalsContact O-OG1 3.1Å
227G52.8Low62.6Low53 Ų53100.3 Ų100.355%0.54658%0.584SS.*THydrogen-bonded Turntrans65.843.217200000114.8L223 S225 E229L223-G227 PolarHBondContact O-N 2.76Å; S225-G227 VanDerWaalsContact C-N 3.33Å; G227-E229 PolarHBondContact O-N 3.41Å
228G50.2Low61.3Low40 Ų40103.7 Ų103.741%0.41261%0.606SS.*THydrogen-bonded Turntrans52.920.2163.300000118.2L223 N230L223-G228 PolarHBondContact O-N 3.15Å; G228-N230 PolarHBondContact O-N 3.03Å
229E42.3Very low59.6Low173 Ų173104.7 Ų104.781%0.80861%0.608SS**THydrogen-bonded Turntrans-78.66.5-173.1-82.9-171164.100115G227G227-E229 PolarHBondContact O-N 3.41Å
230N38Very low57.9Low169 Ų169104.3 Ų104.390%0.90462%0.615SS**THydrogen-bonded Turntrans-121.941.2-176.5-76.1-26.8000115.2G228G228-N230 PolarHBondContact O-N 3.03Å
231S37.7Very low56.5Low100 Ų100111.9 Ų111.970%0.69966%0.66SS**  trans-145.589.5166.129.60000111.3
232V33.7Very low54.5Low219 Ų219112.5 Ų112.5100%1.32767%0.671SS**  trans-98.70157.2178.20000107.9

Retrieved 232 of 232 residues in 826.6 ms (Link to these results)

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