A0A077Z5Q4_TRITR Loading...

Mediator of RNA polymerase II transcription subunit 23

AlphaFold DB , UniProt , Accession A0A077Z5Q4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 209 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
1M45.9Very low75.7Confident221 Ų221105.1 Ų105.1100%1.08949%0.489SS*.  0110.10-84.9177.1-92.800107.2D3M1-D3 PolarHBondContact O-N 2.87Å
2V53.2Low77.3Confident101 Ų101102.3 Ų102.361%0.61248%0.48SS*.  trans-69.3114.7164.3-177.90000104.6K4 V6 V7V2-K4 PolarHBondContact O-N 2.92Å; V2-V6 HydrophobicContact CG1-CB 4Å; V2-V6 HydrophobicContact CG1-CG1 3.96Å; V2-V7 HydrophobicContact CB-CG2 4.41Å; V2-V7 HydrophobicContact CG1-CG2 3.57Å
3D66.2Low78.8Confident91 Ų9197.2 Ų97.249%0.48747%0.467SS..  trans-56.6135.2179.1-173.3-12.9000108.8M1 Y5 V6M1-D3 PolarHBondContact O-N 2.87Å; D3-Y5 PolarHBondContact O-N 3.22Å; D3-Y5 WeakPolarHBondContact OD1-CD2 3.19Å; D3-Y5 PolarHBondContact OD1-N 2.77Å; D3-V6 HydrophobicContact CB-CB 4.47Å; D3-V6 HydrophobicContact CB-CG2 3.86Å; D3-V6 WeakPolarHBondContact O-CA 3.47Å; D3-V6 VanDerWaalsContact O-CB 3.29Å; D3-V6 WeakPolarHBondContact O-CB 3.13Å; D3-V6 PolarHBondContact O-N 3.25Å
4K64Low80.1Confident76 Ų7695.9 Ų95.933%0.3346%0.463SS..Hα-helixtrans-48-39.8-178.5175.2-177.5173.4172.90110.9V2 V6 V7 H8 D56V2-K4 PolarHBondContact O-N 2.92Å; K4-V6 VanDerWaalsContact C-N 3.31Å; K4-V6 PolarHBondContact O-N 3.48Å; K4-V7 PolarHBondContact O-N 3.4Å; K4-H8 PolarHBondContact O-CD2 3.08Å; K4-D56 VanDerWaalsContact CE-OD1 3.25Å; K4-D56 WeakPolarHBondContact CE-OD1 3.45Å; K4-D56 WeakPolarHBondContact CE-OD2 3.06Å; K4-D56 IonicContact NZ-OD1 3.78Å; K4-D56 IonicContact NZ-OD2 2.72Å; K4-D56 PolarHBondContact NZ-OD2 2.66Å
5Y67.7Low81.3Confident151 Ų15189.5 Ų89.559%0.59243%0.432SS*.Hα-helixtrans-64.3-34.8178.6-63.8-73.1000112.8D3 V7 H8 Y9D3-Y5 PolarHBondContact O-N 3.22Å; D3-Y5 WeakPolarHBondContact OD1-CD2 3.19Å; D3-Y5 PolarHBondContact OD1-N 2.77Å; Y5-V7 PolarHBondContact O-N 3.29Å; Y5-H8 PolarHBondContact O-N 3.02Å; Y5-Y9 WeakPolarHBondContact O-CD2 3.27Å; Y5-Y9 PolarHBondContact O-N 3.46Å; Y5-Y9 VanDerWaalsContact O-N 3.1Å
6V80.8Confident82.3Confident56 Ų5689.2 Ų89.234%0.33943%0.433SS..Hα-helixtrans-64.2-42-179.2175.30000111.2V2 D3 K4 H8 Y9 W10V2-V6 HydrophobicContact CG1-CB 4Å; V2-V6 HydrophobicContact CG1-CG1 3.96Å; D3-V6 HydrophobicContact CB-CB 4.47Å; D3-V6 HydrophobicContact CB-CG2 3.86Å; D3-V6 WeakPolarHBondContact O-CA 3.47Å; D3-V6 VanDerWaalsContact O-CB 3.29Å; D3-V6 WeakPolarHBondContact O-CB 3.13Å; D3-V6 PolarHBondContact O-N 3.25Å; K4-V6 VanDerWaalsContact C-N 3.31Å; K4-V6 PolarHBondContact O-N 3.48Å; V6-H8 PolarHBondContact O-N 2.72Å; V6-Y9 PolarHBondContact O-N 3.02Å; V6-W10 PolarHBondContact O-N 3.33Å; V6-W10 VanDerWaalsContact O-N 3.15Å
7V86.8Confident83.2Confident35 Ų3589.7 Ų89.721%0.21244%0.437CS..Hα-helixtrans-63.8-42.6-179.7-174.70000111.2V2 K4 Y5 Y9 W10 L11 F55V2-V7 HydrophobicContact CB-CG2 4.41Å; V2-V7 HydrophobicContact CG1-CG2 3.57Å; K4-V7 PolarHBondContact O-N 3.4Å; Y5-V7 PolarHBondContact O-N 3.29Å; V7-Y9 VanDerWaalsContact C-N 3.34Å; V7-Y9 PolarHBondContact O-N 3.07Å; V7-W10 PolarHBondContact O-N 2.89Å; V7-L11 PolarHBondContact O-N 2.65Å; V7-F55 HydrophobicContact CG1-CE1 3.59Å; V7-F55 HydrophobicContact CG1-CZ 3.66Å
8H89.7Confident84Confident73 Ų7386.7 Ų86.734%0.33842%0.423SS..Hα-helixtrans-64-37.4176.3-77.3-65.4000113.1K4 Y5 V6 W10 L11 N12 D56K4-H8 PolarHBondContact O-CD2 3.08Å; Y5-H8 PolarHBondContact O-N 3.02Å; V6-H8 PolarHBondContact O-N 2.72Å; H8-W10 VanDerWaalsContact C-N 3.3Å; H8-W10 PolarHBondContact O-N 2.8Å; H8-L11 PolarHBondContact O-N 3Å; H8-N12 WeakPolarHBondContact O-CB 3.44Å; H8-N12 PolarHBondContact O-N 3.36Å; H8-D56 IonicContact CD2-OD1 3.53Å; H8-D56 IonicContact CE1-OD1 3.53Å; H8-D56 PolarHBondContact CE1-OD1 3.49Å; H8-D56 IonicContact NE2-OD1 3.92Å; H8-D56 PolarHBondContact NE2-OD1 3.44Å
9Y91.7Very high84.7Confident160 Ų16084.4 Ų84.463%0.62741%0.414SS*.Hα-helixtrans-61-40.3173.7-72.2-58.5000112.1Y5 V6 V7 A13Y5-Y9 WeakPolarHBondContact O-CD2 3.27Å; Y5-Y9 PolarHBondContact O-N 3.46Å; Y5-Y9 VanDerWaalsContact O-N 3.1Å; V6-Y9 PolarHBondContact O-N 3.02Å; V7-Y9 VanDerWaalsContact C-N 3.34Å; V7-Y9 PolarHBondContact O-N 3.07Å; Y9-A13 VanDerWaalsContact O-CB 3.29Å; Y9-A13 WeakPolarHBondContact O-CB 3.29Å; Y9-A13 PolarHBondContact O-N 3.26Å
10W93Very high85.3Confident173 Ų17384.6 Ų84.666%0.65543%0.43SS*.Hα-helixtrans-66.1-46.6175.3-73.4110.6000112.3V6 V7 H8 N12 A13 L14V6-W10 PolarHBondContact O-N 3.33Å; V6-W10 VanDerWaalsContact O-N 3.15Å; V7-W10 PolarHBondContact O-N 2.89Å; H8-W10 VanDerWaalsContact C-N 3.3Å; H8-W10 PolarHBondContact O-N 2.8Å; W10-N12 VanDerWaalsContact C-N 3.3Å; W10-N12 PolarHBondContact O-N 2.76Å; W10-A13 PolarHBondContact O-N 3.46Å; W10-L14 WeakPolarHBondContact O-CB 3.25Å; W10-L14 VanDerWaalsContact O-CG 3.26Å; W10-L14 WeakPolarHBondContact O-CG 3.33Å; W10-L14 PolarHBondContact O-N 2.94Å
11L93.9Very high85.8Confident19 Ų1983.9 Ų83.910%0.09943%0.427CS..Hα-helixtrans-59.2-44.1176.1-74.6176.7000111.5V7 H8 L14 G15 F55 L73 A76V7-L11 PolarHBondContact O-N 2.65Å; H8-L11 PolarHBondContact O-N 3Å; L11-L14 PolarHBondContact O-N 2.99Å; L11-G15 PolarHBondContact O-N 2.98Å; L11-F55 HydrophobicContact CD1-CD1 4.11Å; L11-F55 HydrophobicContact CD1-CE1 3.52Å; L11-F55 HydrophobicContact CD1-CZ 4.07Å; L11-L73 HydrophobicContact CD2-CB 4.27Å; L11-L73 HydrophobicContact CD2-CD1 4.38Å; L11-A76 HydrophobicContact CB-CB 4.17Å; L11-A76 WeakPolarHBondContact O-CB 3.5Å
12N95.2Very high88.3Confident71 Ų7177.3 Ų77.338%0.3840%0.401SS..Hα-helixtrans-63.6-45.1178.4-170.966.6000112H8 W10 G15 L16 H80H8-N12 WeakPolarHBondContact O-CB 3.44Å; H8-N12 PolarHBondContact O-N 3.36Å; W10-N12 VanDerWaalsContact C-N 3.3Å; W10-N12 PolarHBondContact O-N 2.76Å; N12-G15 PolarHBondContact O-N 3.23Å; N12-L16 PolarHBondContact O-N 3.19Å; N12-H80 PolarHBondContact OD1-CE1 2.75Å; N12-H80 PolarHBondContact OD1-NE2 2.59Å
13A96.8Very high90.2Very high37 Ų3776.4 Ų76.431%0.30640%0.395SS..Hα-helixtrans-62.5-43.317600000111.7Y9 W10 G15 L16 I17Y9-A13 VanDerWaalsContact O-CB 3.29Å; Y9-A13 WeakPolarHBondContact O-CB 3.29Å; Y9-A13 PolarHBondContact O-N 3.26Å; W10-A13 PolarHBondContact O-N 3.46Å; A13-G15 VanDerWaalsContact C-N 3.33Å; A13-G15 PolarHBondContact O-N 3.33Å; A13-L16 PolarHBondContact O-N 3.05Å; A13-I17 WeakPolarHBondContact O-CB 3.22Å; A13-I17 VanDerWaalsContact O-CG1 3.25Å; A13-I17 WeakPolarHBondContact O-CG1 3.32Å; A13-I17 PolarHBondContact O-N 3.49Å
14L96.8Very high91.6Very high79 Ų7975.6 Ų75.641%0.41440%0.401SS..Hα-helixtrans-60.7-43.6174.3-73.2170.7000111.4W10 L11 L16 I17 L18 L73W10-L14 WeakPolarHBondContact O-CB 3.25Å; W10-L14 VanDerWaalsContact O-CG 3.26Å; W10-L14 WeakPolarHBondContact O-CG 3.33Å; W10-L14 PolarHBondContact O-N 2.94Å; L11-L14 PolarHBondContact O-N 2.99Å; L14-L16 PolarHBondContact O-N 3.43Å; L14-I17 PolarHBondContact O-N 2.86Å; L14-L18 VanDerWaalsContact O-CB 3.3Å; L14-L18 WeakPolarHBondContact O-CB 3.49Å; L14-L18 VanDerWaalsContact O-CG 3.27Å; L14-L18 WeakPolarHBondContact O-CG 3.47Å; L14-L18 PolarHBondContact O-N 3.19Å; L14-L73 HydrophobicContact CB-CD1 4.23Å; L14-L73 HydrophobicContact CD1-CD1 4.46Å
15G97.4Very high93.2Very high0 Ų078.6 Ų78.60%041%0.412CS..Hα-helixtrans-58.3-46.9175.600000112.3L11 N12 A13 T19L11-G15 PolarHBondContact O-N 2.98Å; N12-G15 PolarHBondContact O-N 3.23Å; A13-G15 VanDerWaalsContact C-N 3.33Å; A13-G15 PolarHBondContact O-N 3.33Å; G15-T19 WeakPolarHBondContact O-CB 3.39Å; G15-T19 VanDerWaalsContact O-CG2 3.22Å; G15-T19 WeakPolarHBondContact O-CG2 3.34Å; G15-T19 PolarHBondContact O-N 3.48Å; G15-T19 PolarHBondContact O-OG1 2.84Å
16L97.6Very high94.6Very high84 Ų8472.1 Ų72.144%0.4439%0.387SS..Hα-helixtrans-62.8-44.7176.3-76.2165.6000112.6N12 A13 L14 T19 A20 H80N12-L16 PolarHBondContact O-N 3.19Å; A13-L16 PolarHBondContact O-N 3.05Å; L14-L16 PolarHBondContact O-N 3.43Å; L16-T19 PolarHBondContact O-OG1 2.86Å; L16-A20 WeakPolarHBondContact O-CB 3.29Å; L16-A20 PolarHBondContact O-N 3.34Å; L16-A20 VanDerWaalsContact O-N 3.15Å; L16-H80 HydrophobicContact CD2-CB 4.27Å; L16-H80 WeakPolarHBondContact CD2-ND1 3.44Å
17I98Very high95.3Very high98 Ų9873 Ų7350%0.50339%0.388SS..Hα-helixtrans-64.7-51.3-180-69164.9000110A13 L14 T19 A20 L21A13-I17 WeakPolarHBondContact O-CB 3.22Å; A13-I17 VanDerWaalsContact O-CG1 3.25Å; A13-I17 WeakPolarHBondContact O-CG1 3.32Å; A13-I17 PolarHBondContact O-N 3.49Å; L14-I17 PolarHBondContact O-N 2.86Å; I17-T19 VanDerWaalsContact C-N 3.3Å; I17-T19 PolarHBondContact O-N 3.15Å; I17-A20 PolarHBondContact O-N 3.22Å; I17-L21 HydrophobicContact CG2-CD1 3.96Å; I17-L21 VanDerWaalsContact O-CG 3.31Å; I17-L21 WeakPolarHBondContact O-CG 3.42Å; I17-L21 PolarHBondContact O-N 2.92Å
18L97.2Very high95.8Very high36 Ų3675 Ų7519%0.18840%0.402CS..Hα-helixtrans-62.7-37.7-176.8-72.7174.6000112.1L14 A20 L21 V26 L73 V77L14-L18 VanDerWaalsContact O-CB 3.3Å; L14-L18 WeakPolarHBondContact O-CB 3.49Å; L14-L18 VanDerWaalsContact O-CG 3.27Å; L14-L18 WeakPolarHBondContact O-CG 3.47Å; L14-L18 PolarHBondContact O-N 3.19Å; L18-A20 VanDerWaalsContact C-N 3.34Å; L18-L21 PolarHBondContact O-N 2.98Å; L18-V26 HydrophobicContact CB-CG2 4.36Å; L18-V26 VanDerWaalsContact O-CG2 3.23Å; L18-V26 WeakPolarHBondContact O-CG2 3.33Å; L18-L73 HydrophobicContact CD1-CD1 4.4Å; L18-V77 HydrophobicContact CB-CG2 4.25Å; L18-V77 HydrophobicContact CD1-CG2 3.76Å
19T96.9Very high96.1Very high43 Ų4372.1 Ų72.126%0.26439%0.389SS..Hα-helixtrans-75.5-21.6179.151.90000113.8G15 L16 I17 V77 H80 S81G15-T19 WeakPolarHBondContact O-CB 3.39Å; G15-T19 VanDerWaalsContact O-CG2 3.22Å; G15-T19 WeakPolarHBondContact O-CG2 3.34Å; G15-T19 PolarHBondContact O-N 3.48Å; G15-T19 PolarHBondContact O-OG1 2.84Å; L16-T19 PolarHBondContact O-OG1 2.86Å; I17-T19 VanDerWaalsContact C-N 3.3Å; I17-T19 PolarHBondContact O-N 3.15Å; T19-V77 HydrophobicContact CG2-CG1 3.92Å; T19-V77 WeakPolarHBondContact CG2-O 3.29Å; T19-H80 HydrophobicContact CG2-CB 4.02Å; T19-H80 WeakPolarHBondContact OG1-CB 3.29Å; T19-S81 WeakPolarHBondContact CG2-OG 3.34Å
20A96.9Very high96.4Very high87 Ų8765 Ų6572%0.71936%0.361SS*.Hα-helixtrans-82-18.317300000113.2L16 I17 L18L16-A20 WeakPolarHBondContact O-CB 3.29Å; L16-A20 PolarHBondContact O-N 3.34Å; L16-A20 VanDerWaalsContact O-N 3.15Å; I17-A20 PolarHBondContact O-N 3.22Å; L18-A20 VanDerWaalsContact C-N 3.34Å
21L97.1Very high96.6Very high70 Ų7060.9 Ų60.937%0.36635%0.349SS..SBendtrans-85.8161.8179.3-69.1172.1000112I17 L18 Y25I17-L21 HydrophobicContact CG2-CD1 3.96Å; I17-L21 VanDerWaalsContact O-CG 3.31Å; I17-L21 WeakPolarHBondContact O-CG 3.42Å; I17-L21 PolarHBondContact O-N 2.92Å; L18-L21 PolarHBondContact O-N 2.98Å; L21-Y25 HydrophobicContact CB-CD2 3.94Å; L21-Y25 HydrophobicContact CB-CG 3.94Å; L21-Y25 HydrophobicContact CD1-CD1 3.97Å; L21-Y25 HydrophobicContact CD1-CG 3.95Å; L21-Y25 HydrophobicContact CG-CG 4.49Å
22P96.4Very high96.8Very high84 Ų8460.9 Ų60.955%0.54535%0.352SS..  trans-55.2152.2172.6-25.934.6000112.8A24 Y25P22-A24 PolarHBondContact O-N 3.07Å; P22-Y25 HydrophobicContact CB-CD2 4.27Å; P22-Y25 HydrophobicContact CG-CD2 4.39Å; P22-Y25 HydrophobicContact CG-CE2 4.36Å; P22-Y25 WeakPolarHBondContact O-CB 3.32Å; P22-Y25 WeakPolarHBondContact O-CD2 3.25Å; P22-Y25 PolarHBondContact O-N 3.34Å
23V94.2Very high97Very high81 Ų8157.5 Ų57.549%0.49133%0.334SS..G310 helixtrans-49.4-33.4-177.11740000113.5Y25 V26 E27 L88V23-Y25 PolarHBondContact O-N 3.11Å; V23-V26 PolarHBondContact O-N 2.97Å; V23-E27 PolarHBondContact O-N 3.35Å; V23-L88 HydrophobicContact CG1-CD1 3.72Å; V23-L88 HydrophobicContact CG2-CD1 4.12Å
24A96.3Very high97Very high75 Ų7556.6 Ų56.662%0.6232%0.324SS*.G310 helixtrans-55.3-23.3176.900000114.3P22 P28P22-A24 PolarHBondContact O-N 3.07Å; A24-P28 WeakPolarHBondContact O-CD 3.46Å
25Y96.8Very high97.1Very high139 Ų13957.6 Ų57.655%0.54533%0.33SS..G310 helixtrans-86.5-21.2177.2-69.6-92.1000113.3L21 P22 V23 P28L21-Y25 HydrophobicContact CB-CD2 3.94Å; L21-Y25 HydrophobicContact CB-CG 3.94Å; L21-Y25 HydrophobicContact CD1-CD1 3.97Å; L21-Y25 HydrophobicContact CD1-CG 3.95Å; L21-Y25 HydrophobicContact CG-CG 4.49Å; P22-Y25 HydrophobicContact CB-CD2 4.27Å; P22-Y25 HydrophobicContact CG-CD2 4.39Å; P22-Y25 HydrophobicContact CG-CE2 4.36Å; P22-Y25 WeakPolarHBondContact O-CB 3.32Å; P22-Y25 WeakPolarHBondContact O-CD2 3.25Å; P22-Y25 PolarHBondContact O-N 3.34Å; V23-Y25 PolarHBondContact O-N 3.11Å; Y25-P28 WeakPolarHBondContact O-CD 3.48Å
26V96.2Very high97.1Very high14 Ų1457.7 Ų57.79%0.08533%0.33CS..THydrogen-bonded Turntrans-90.4-28.2175.7-173.20000111.1L18 V23 P28 M29 Y30 V77L18-V26 HydrophobicContact CB-CG2 4.36Å; L18-V26 VanDerWaalsContact O-CG2 3.23Å; L18-V26 WeakPolarHBondContact O-CG2 3.33Å; V23-V26 PolarHBondContact O-N 2.97Å; V26-P28 VanDerWaalsContact C-N 3.33Å; V26-M29 HydrophobicContact CG1-CE 4.09Å; V26-M29 VanDerWaalsContact O-CB 3.26Å; V26-M29 WeakPolarHBondContact O-CB 3.44Å; V26-M29 PolarHBondContact O-N 3.47Å; V26-Y30 HydrophobicContact CG1-CD2 4.17Å; V26-Y30 HydrophobicContact CG1-CE2 3.79Å; V26-V77 HydrophobicContact CG1-CG1 3.93Å
27E95.5Very high97.1Very high74 Ų7453.7 Ų53.735%0.34631%0.31SS..Hα-helixtrans-50.1-41.1179.1-169.360.2-145.500114.4V23 M29 Y30 Q31V23-E27 PolarHBondContact O-N 3.35Å; E27-M29 PolarHBondContact O-N 3.14Å; E27-M29 VanDerWaalsContact O-N 3.17Å; E27-Y30 WeakPolarHBondContact O-CB 3.49Å; E27-Y30 PolarHBondContact O-N 3Å; E27-Q31 HydrophobicContact CG-CG 4.41Å; E27-Q31 WeakPolarHBondContact O-CG 3.32Å; E27-Q31 PolarHBondContact O-N 3.19Å; E27-Q31 PolarHBondContact OE1-NE2 3.13Å
28P97.1Very high97.1Very high79 Ų7951.9 Ų51.951%0.51331%0.309SS..Hα-helixtrans-57.7-31.1176.4-26.736.5000114A24 Y25 V26 Q31 A32A24-P28 WeakPolarHBondContact O-CD 3.46Å; Y25-P28 WeakPolarHBondContact O-CD 3.48Å; V26-P28 VanDerWaalsContact C-N 3.33Å; P28-Q31 PolarHBondContact O-N 3.18Å; P28-A32 VanDerWaalsContact O-CB 3.31Å; P28-A32 WeakPolarHBondContact O-CB 3.08Å; P28-A32 PolarHBondContact O-N 3.05Å
29M97.6Very high97Very high12 Ų1251.9 Ų51.96%0.05931%0.312CS..Hα-helixtrans-66.9-44.1174.7-175.9-1677600111V26 E27 Q31 A32 I33 L70 A74 V77 W78V26-M29 HydrophobicContact CG1-CE 4.09Å; V26-M29 VanDerWaalsContact O-CB 3.26Å; V26-M29 WeakPolarHBondContact O-CB 3.44Å; V26-M29 PolarHBondContact O-N 3.47Å; E27-M29 PolarHBondContact O-N 3.14Å; E27-M29 VanDerWaalsContact O-N 3.17Å; M29-Q31 VanDerWaalsContact C-N 3.33Å; M29-Q31 PolarHBondContact O-N 3.23Å; M29-A32 WeakPolarHBondContact O-CB 3.25Å; M29-A32 PolarHBondContact O-N 3.14Å; M29-I33 WeakPolarHBondContact O-CG1 3.32Å; M29-I33 PolarHBondContact O-N 3.36Å; M29-L70 HydrophobicContact CG-CD1 4.33Å; M29-A74 HydrophobicContact CE-CB 4.36Å; M29-A74 VanDerWaalsContact SD-CA 3.59Å; M29-A74 HydrophobicContact SD-CB 3.99Å; M29-V77 HydrophobicContact CE-CB 4.31Å; M29-V77 HydrophobicContact CE-CG1 4.01Å; M29-V77 HydrophobicContact SD-CB 3.86Å; M29-V77 HydrophobicContact SD-CG1 4.08Å; M29-V77 HydrophobicContact SD-CG2 3.79Å; M29-W78 HydrophobicContact CE-CZ2 3.98Å
30Y97.4Very high96.8Very high9 Ų957.2 Ų57.24%0.03533%0.332CS..Hα-helixtrans-62.9-41.2175.7-75.4-77.5000111.7V26 E27 I33 V34 W78 L88 L89 A92 W97V26-Y30 HydrophobicContact CG1-CD2 4.17Å; V26-Y30 HydrophobicContact CG1-CE2 3.79Å; E27-Y30 WeakPolarHBondContact O-CB 3.49Å; E27-Y30 PolarHBondContact O-N 3Å; Y30-I33 PolarHBondContact O-N 3.09Å; Y30-V34 WeakPolarHBondContact O-CG2 3.46Å; Y30-V34 PolarHBondContact O-N 2.68Å; Y30-W78 HydrophobicContact CE1-CZ2 4.08Å; Y30-W78 AromaticContact CZ-NE1 3.68Å; Y30-W78 PolarHBondContact OH-NE1 3.39Å; Y30-L88 HydrophobicContact CE2-CB 4.31Å; Y30-L89 HydrophobicContact CE1-CB 4.25Å; Y30-L89 PolarHBondContact OH-N 3.17Å; Y30-A92 HydrophobicContact CD1-CB 3.86Å; Y30-A92 HydrophobicContact CE1-CB 4.1Å; Y30-W97 AromaticContact CD1-CZ2 3.97Å; Y30-W97 HydrophobicContact CD1-CZ2 3.97Å; Y30-W97 HydrophobicContact CE1-CZ2 4.22Å
31Q97.3Very high96.7Very high87 Ų8757.3 Ų57.341%0.40732%0.32SS..Hα-helixtrans-65.2-39.5174.9-63.1-56.4-37.400111.9E27 P28 M29 I33 V34 N35E27-Q31 HydrophobicContact CG-CG 4.41Å; E27-Q31 WeakPolarHBondContact O-CG 3.32Å; E27-Q31 PolarHBondContact O-N 3.19Å; E27-Q31 PolarHBondContact OE1-NE2 3.13Å; P28-Q31 PolarHBondContact O-N 3.18Å; M29-Q31 VanDerWaalsContact C-N 3.33Å; M29-Q31 PolarHBondContact O-N 3.23Å; Q31-I33 VanDerWaalsContact C-N 3.3Å; Q31-I33 PolarHBondContact O-N 2.95Å; Q31-V34 PolarHBondContact O-N 3.43Å; Q31-N35 WeakPolarHBondContact O-CB 3.48Å; Q31-N35 PolarHBondContact O-N 3.4Å; Q31-N35 PolarHBondContact O-ND2 3.19Å
32A98.2Very high96.6Very high20 Ų2054.2 Ų54.217%0.16530%0.304CS..Hα-helixtrans-60.3-40.2174.100000111.8P28 M29 N35 L36 L70P28-A32 VanDerWaalsContact O-CB 3.31Å; P28-A32 WeakPolarHBondContact O-CB 3.08Å; P28-A32 PolarHBondContact O-N 3.05Å; M29-A32 WeakPolarHBondContact O-CB 3.25Å; M29-A32 PolarHBondContact O-N 3.14Å; A32-N35 PolarHBondContact O-N 2.72Å; A32-L36 WeakPolarHBondContact O-CB 3.33Å; A32-L36 PolarHBondContact O-N 2.62Å; A32-L70 HydrophobicContact CB-CD1 4.04Å; A32-L70 HydrophobicContact CB-CD2 4.03Å
33I98.4Very high96.4Very high0 Ų056.2 Ų56.20%031%0.306CS..Hα-helixtrans-65.5-45.2175.4-66.1165.6000110.6M29 Y30 Q31 N35 L36 L37 L70 A74 W78 W97 L113M29-I33 WeakPolarHBondContact O-CG1 3.32Å; M29-I33 PolarHBondContact O-N 3.36Å; Y30-I33 PolarHBondContact O-N 3.09Å; Q31-I33 VanDerWaalsContact C-N 3.3Å; Q31-I33 PolarHBondContact O-N 2.95Å; I33-N35 VanDerWaalsContact C-N 3.34Å; I33-N35 PolarHBondContact O-N 3.12Å; I33-L36 PolarHBondContact O-N 2.6Å; I33-L37 HydrophobicContact CG2-CD1 4.03Å; I33-L37 HydrophobicContact CG2-CG 4.38Å; I33-L37 VanDerWaalsContact O-CG 3.31Å; I33-L37 WeakPolarHBondContact O-CG 3.46Å; I33-L37 PolarHBondContact O-N 3.36Å; I33-L70 HydrophobicContact CB-CD2 4.5Å; I33-L70 HydrophobicContact CG1-CD1 4.33Å; I33-L70 HydrophobicContact CG1-CD2 3.83Å; I33-L70 HydrophobicContact CG1-CG 4.01Å; I33-A74 HydrophobicContact CD1-CB 4.15Å; I33-W78 HydrophobicContact CD1-CH2 4.06Å; I33-W78 HydrophobicContact CD1-CZ2 4.14Å; I33-W97 HydrophobicContact CB-CZ2 4.18Å; I33-W97 HydrophobicContact CD1-CH2 4.21Å; I33-W97 HydrophobicContact CD1-CZ2 3.78Å; I33-W97 HydrophobicContact CG2-CD2 4.25Å; I33-W97 HydrophobicContact CG2-CH2 4.23Å; I33-W97 HydrophobicContact CG2-CZ2 3.61Å; I33-L113 HydrophobicContact CD1-CD2 4.32Å; I33-L113 HydrophobicContact CG2-CD1 3.89Å
34V98Very high96.3Very high17 Ų1755 Ų5510%0.10330%0.301CS..Hα-helixtrans-59.8-45.5177172.10000111.1Y30 Q31 L36 L37 A38 Q100Y30-V34 WeakPolarHBondContact O-CG2 3.46Å; Y30-V34 PolarHBondContact O-N 2.68Å; Q31-V34 PolarHBondContact O-N 3.43Å; V34-L36 VanDerWaalsContact C-N 3.34Å; V34-L36 PolarHBondContact O-N 3.06Å; V34-L37 PolarHBondContact O-N 3.48Å; V34-A38 WeakPolarHBondContact O-CB 3.44Å; V34-A38 PolarHBondContact O-N 3.42Å; V34-Q100 HydrophobicContact CG1-CG 4.17Å
35N97.8Very high96.2Very high101 Ų10151.4 Ų51.454%0.5427%0.271SS..Hα-helixtrans-63.4-40.9178.8-70.3-19.5000111.6Q31 A32 I33 A38 S39Q31-N35 WeakPolarHBondContact O-CB 3.48Å; Q31-N35 PolarHBondContact O-N 3.4Å; Q31-N35 PolarHBondContact O-ND2 3.19Å; A32-N35 PolarHBondContact O-N 2.72Å; I33-N35 VanDerWaalsContact C-N 3.34Å; I33-N35 PolarHBondContact O-N 3.12Å; N35-A38 CarbonylContact O-C 3.6Å; N35-A38 PolarHBondContact O-N 3.3Å; N35-S39 WeakPolarHBondContact O-CB 3.3Å; N35-S39 PolarHBondContact O-N 3.25Å
36L98.1Very high96.1Very high1 Ų149.6 Ų49.61%0.00527%0.266CS..Hα-helixtrans-63.7-42.1174.8176.759.3000111.9A32 I33 V34 A38 S39 D41 L42 Y66 P67 L70 Y109A32-L36 WeakPolarHBondContact O-CB 3.33Å; A32-L36 PolarHBondContact O-N 2.62Å; I33-L36 PolarHBondContact O-N 2.6Å; V34-L36 VanDerWaalsContact C-N 3.34Å; V34-L36 PolarHBondContact O-N 3.06Å; L36-A38 VanDerWaalsContact C-N 3.26Å; L36-A38 PolarHBondContact O-N 3Å; L36-S39 PolarHBondContact O-N 3.47Å; L36-S39 PolarHBondContact O-OG 3.15Å; L36-D41 HydrophobicContact CD1-CB 3.71Å; L36-L42 HydrophobicContact CD1-CD2 3.99Å; L36-L42 HydrophobicContact CD1-CG 3.91Å; L36-L42 HydrophobicContact CD2-CD2 4.07Å; L36-L42 HydrophobicContact CG-CD1 4.4Å; L36-L42 HydrophobicContact CG-CD2 3.96Å; L36-L42 HydrophobicContact CG-CG 4.01Å; L36-Y66 HydrophobicContact CB-CE1 4.29Å; L36-Y66 HydrophobicContact CD1-CD1 4.05Å; L36-Y66 HydrophobicContact CD1-CE1 4.1Å; L36-Y66 HydrophobicContact CD2-CE1 4.44Å; L36-P67 HydrophobicContact CD1-CG 4.2Å; L36-P67 HydrophobicContact CD2-CB 4.1Å; L36-P67 HydrophobicContact CD2-CG 4.39Å; L36-L70 HydrophobicContact CB-CD2 4.31Å; L36-L70 HydrophobicContact CD2-CD2 3.89Å; L36-Y109 HydrophobicContact CD2-CE1 3.78Å; L36-Y109 HydrophobicContact CD2-CE2 4.22Å; L36-Y109 WeakPolarHBondContact CD2-OH 3.34Å
37L98Very high95.9Very high0 Ų054.2 Ų54.20%029%0.29CS..Hα-helixtrans-64.7-32.2175.2-70.2171.7000111.9I33 V34 L42 W97 Q100 V101 Q106 Y109 V110I33-L37 HydrophobicContact CG2-CD1 4.03Å; I33-L37 HydrophobicContact CG2-CG 4.38Å; I33-L37 VanDerWaalsContact O-CG 3.31Å; I33-L37 WeakPolarHBondContact O-CG 3.46Å; I33-L37 PolarHBondContact O-N 3.36Å; V34-L37 PolarHBondContact O-N 3.48Å; L37-L42 HydrophobicContact CD2-CD1 4.06Å; L37-W97 HydrophobicContact CD1-CB 3.94Å; L37-W97 HydrophobicContact CD1-CD2 4.32Å; L37-W97 HydrophobicContact CD1-CG 3.87Å; L37-Q100 HydrophobicContact CB-CB 3.74Å; L37-Q100 HydrophobicContact CB-CG 4.4Å; L37-V101 HydrophobicContact CD1-CG2 4.46Å; L37-V101 HydrophobicContact CD2-CG2 4.27Å; L37-Q106 HydrophobicContact CD2-CB 4.06Å; L37-Q106 HydrophobicContact CD2-CG 4.24Å; L37-Q106 PolarHBondContact O-NE2 3.47Å; L37-Y109 HydrophobicContact CD2-CD1 4.11Å; L37-V110 HydrophobicContact CD1-CG2 4.12Å; L37-V110 HydrophobicContact CD2-CG2 3.93Å
38A96.6Very high95.7Very high60 Ų6054.5 Ų54.550%0.49629%0.294SS..Hα-helixtrans-82.7-16.7178.300000113.8V34 N35 L36 Q100V34-A38 WeakPolarHBondContact O-CB 3.44Å; V34-A38 PolarHBondContact O-N 3.42Å; N35-A38 CarbonylContact O-C 3.6Å; N35-A38 PolarHBondContact O-N 3.3Å; L36-A38 VanDerWaalsContact C-N 3.26Å; L36-A38 PolarHBondContact O-N 3Å; A38-Q100 HydrophobicContact CB-CG 4.48Å
39S95.4Very high95.6Very high36 Ų3650.9 Ų50.925%0.25227%0.271SS..SBendtrans-91.7176.1-177.783.70000112.5N35 L36 D41N35-S39 WeakPolarHBondContact O-CB 3.3Å; N35-S39 PolarHBondContact O-N 3.25Å; L36-S39 PolarHBondContact O-N 3.47Å; L36-S39 PolarHBondContact O-OG 3.15Å; S39-D41 VanDerWaalsContact C-N 3.33Å; S39-D41 WeakPolarHBondContact CB-OD2 3.47Å; S39-D41 WeakPolarHBondContact OG-CB 3.32Å; S39-D41 PolarHBondContact OG-N 2.87Å; S39-D41 VanDerWaalsContact OG-N 3.13Å; S39-D41 PolarHBondContact OG-OD2 3.44Å
40K94.1Very high95.3Very high156 Ų15653.1 Ų53.168%0.67829%0.287SS*.SBendtrans-88.81.7172.1-63.2-169.3177.4-171.70113.1L42 E43K40-L42 PolarHBondContact O-N 2.82Å; K40-L42 VanDerWaalsContact O-N 3.12Å; K40-E43 HydrophobicContact CB-CG 4.43Å; K40-E43 VanDerWaalsContact O-CB 3.29Å; K40-E43 WeakPolarHBondContact O-CB 3.2Å; K40-E43 WeakPolarHBondContact O-CG 3.37Å; K40-E43 PolarHBondContact O-N 3Å
41D93.4Very high95.1Very high88 Ų8853.5 Ų53.547%0.47129%0.292SS..G310 helixtrans-67.3-19.7-172.5-55.3-41.3000112.1L36 S39 E43 C44L36-D41 HydrophobicContact CD1-CB 3.71Å; S39-D41 VanDerWaalsContact C-N 3.33Å; S39-D41 WeakPolarHBondContact CB-OD2 3.47Å; S39-D41 WeakPolarHBondContact OG-CB 3.32Å; S39-D41 PolarHBondContact OG-N 2.87Å; S39-D41 VanDerWaalsContact OG-N 3.13Å; S39-D41 PolarHBondContact OG-OD2 3.44Å; D41-E43 VanDerWaalsContact C-N 3.26Å; D41-E43 PolarHBondContact O-N 3.2Å; D41-C44 PolarHBondContact O-SG 3.44Å
42L95.8Very high95Very high5 Ų551.8 Ų51.83%0.02628%0.283CS..G310 helixtrans-72.8-13.2172.2-68.2175.3000113.6L36 L37 K40 C44 I45 P67 T105 Q106 Y109L36-L42 HydrophobicContact CD1-CD2 3.99Å; L36-L42 HydrophobicContact CD1-CG 3.91Å; L36-L42 HydrophobicContact CD2-CD2 4.07Å; L36-L42 HydrophobicContact CG-CD1 4.4Å; L36-L42 HydrophobicContact CG-CD2 3.96Å; L36-L42 HydrophobicContact CG-CG 4.01Å; L37-L42 HydrophobicContact CD2-CD1 4.06Å; K40-L42 PolarHBondContact O-N 2.82Å; K40-L42 VanDerWaalsContact O-N 3.12Å; L42-C44 PolarHBondContact O-N 2.92Å; L42-I45 HydrophobicContact CD2-CD1 3.85Å; L42-I45 HydrophobicContact CD2-CG1 4.47Å; L42-I45 WeakPolarHBondContact O-CG1 3.3Å; L42-I45 PolarHBondContact O-N 2.98Å; L42-P67 HydrophobicContact CD2-CB 3.95Å; L42-P67 HydrophobicContact CD2-CG 4.06Å; L42-T105 HydrophobicContact CB-CG2 4.19Å; L42-T105 VanDerWaalsContact O-CG2 3.31Å; L42-T105 WeakPolarHBondContact O-CG2 3.48Å; L42-Q106 HydrophobicContact CD1-CB 4.33Å; L42-Q106 HydrophobicContact CD1-CG 3.67Å; L42-Y109 HydrophobicContact CD1-CG 4.46Å; L42-Y109 HydrophobicContact CD2-CD1 4.36Å; L42-Y109 HydrophobicContact CD2-CD2 3.84Å; L42-Y109 HydrophobicContact CD2-CE2 4.31Å; L42-Y109 HydrophobicContact CD2-CG 3.88Å
43E92.3Very high94.9Very high126 Ų12651.2 Ų51.259%0.58928%0.277SS*.G310 helixtrans-62-28.5175.2-68.5-178.9-177.300111.7K40 D41 I45 K46K40-E43 HydrophobicContact CB-CG 4.43Å; K40-E43 VanDerWaalsContact O-CB 3.29Å; K40-E43 WeakPolarHBondContact O-CB 3.2Å; K40-E43 WeakPolarHBondContact O-CG 3.37Å; K40-E43 PolarHBondContact O-N 3Å; D41-E43 VanDerWaalsContact C-N 3.26Å; D41-E43 PolarHBondContact O-N 3.2Å; E43-I45 PolarHBondContact O-N 3.21Å; E43-I45 VanDerWaalsContact O-N 3.15Å; E43-K46 WeakPolarHBondContact O-CB 3.3Å; E43-K46 PolarHBondContact O-N 2.82Å
44C92.1Very high94.6Very high56 Ų5654.7 Ų54.738%0.37830%0.296SS..G310 helixtrans-66.7-15-179.3770000114.3D41 L42 K52D41-C44 PolarHBondContact O-SG 3.44Å; L42-C44 PolarHBondContact O-N 2.92Å; C44-K52 WeakPolarHBondContact O-CD 3.44Å; C44-K52 PolarHBondContact O-NZ 3.23Å
45I94.5Very high94.2Very high0 Ų054.9 Ų54.90%030%0.296CS..G310 helixtrans-106.5-1.5179.367.1169.8000114L42 E43 D47 D48 I49 K52 L53 P67 T105 Y109L42-I45 HydrophobicContact CD2-CD1 3.85Å; L42-I45 HydrophobicContact CD2-CG1 4.47Å; L42-I45 WeakPolarHBondContact O-CG1 3.3Å; L42-I45 PolarHBondContact O-N 2.98Å; E43-I45 PolarHBondContact O-N 3.21Å; E43-I45 VanDerWaalsContact O-N 3.15Å; I45-D47 VanDerWaalsContact C-N 3.3Å; I45-D47 PolarHBondContact O-N 2.85Å; I45-D48 CarbonylContact O-C 3.42Å; I45-D48 PolarHBondContact O-N 3.26Å; I45-I49 HydrophobicContact CD1-CG2 4.39Å; I45-I49 VanDerWaalsContact O-CA 3.31Å; I45-I49 WeakPolarHBondContact O-CA 3.22Å; I45-I49 WeakPolarHBondContact O-CG1 3.31Å; I45-I49 PolarHBondContact O-N 3.25Å; I45-K52 HydrophobicContact CB-CB 4.02Å; I45-K52 HydrophobicContact CB-CD 4.21Å; I45-K52 HydrophobicContact CG2-CB 3.73Å; I45-K52 HydrophobicContact CG2-CD 4.2Å; I45-L53 HydrophobicContact CD1-CD1 3.99Å; I45-L53 HydrophobicContact CD1-CD2 3.75Å; I45-L53 HydrophobicContact CD1-CG 3.91Å; I45-P67 HydrophobicContact CG2-CB 4.48Å; I45-P67 HydrophobicContact CG2-CG 4.39Å; I45-T105 HydrophobicContact CD1-CG2 4.01Å; I45-T105 HydrophobicContact CG1-CG2 3.6Å; I45-Y109 HydrophobicContact CD1-CD2 4.3Å
46K93.4Very high93.8Very high100 Ų10052.2 Ų52.244%0.43528%0.281SS..THydrogen-bonded Turntrans-60.9-33.7-168.4178.6178.1177.4-175.30114.6E43 Y152E43-K46 WeakPolarHBondContact O-CB 3.3Å; E43-K46 PolarHBondContact O-N 2.82Å; K46-Y152 PolarHBondContact O-OH 3.4Å
47D92.5Very high93.3Very high112 Ų11256 Ų5660%0.59930%0.299SS*.THydrogen-bonded Turntrans-76.7-29.9-17756.1-33.9000114.2I45 K52 Y152I45-D47 VanDerWaalsContact C-N 3.3Å; I45-D47 PolarHBondContact O-N 2.85Å; D47-K52 WeakPolarHBondContact OD1-CE 3.39Å; D47-K52 IonicContact OD1-NZ 2.65Å; D47-K52 PolarHBondContact OD1-NZ 3.07Å; D47-K52 IonicContact OD2-NZ 2.89Å; D47-K52 PolarHBondContact OD2-NZ 3.02Å; D47-Y152 PolarHBondContact O-OH 2.85Å
48D92.8Very high92.9Very high80 Ų8056.6 Ų56.643%0.42830%0.302SS..SBendtrans-153.476.5178.1-169.2-10.8000110.4I45 S50 A51 K52I45-D48 CarbonylContact O-C 3.42Å; I45-D48 PolarHBondContact O-N 3.26Å; D48-S50 PolarHBondContact O-N 2.94Å; D48-A51 VanDerWaalsContact CG-CB 3.41Å; D48-A51 VanDerWaalsContact OD1-CB 3.29Å; D48-A51 WeakPolarHBondContact OD1-CB 3.39Å; D48-A51 PolarHBondContact OD1-N 3.15Å; D48-A51 VanDerWaalsContact OD2-CB 3.25Å; D48-A51 WeakPolarHBondContact OD2-CB 3.33Å; D48-K52 WeakPolarHBondContact O-CB 3.36Å; D48-K52 VanDerWaalsContact O-CG 3.32Å; D48-K52 WeakPolarHBondContact O-CG 3.31Å; D48-K52 PolarHBondContact O-N 3.2Å
49I93.9Very high92.3Very high3 Ų355.7 Ų55.72%0.01529%0.291CS..Hα-helixtrans-63.5-46.7-169.6-64.8168.7000110.9I45 L53 T105 L108 Y152I45-I49 HydrophobicContact CD1-CG2 4.39Å; I45-I49 VanDerWaalsContact O-CA 3.31Å; I45-I49 WeakPolarHBondContact O-CA 3.22Å; I45-I49 WeakPolarHBondContact O-CG1 3.31Å; I45-I49 PolarHBondContact O-N 3.25Å; I49-L53 HydrophobicContact CG2-CD1 3.68Å; I49-L53 HydrophobicContact CG2-CG 4.36Å; I49-L53 VanDerWaalsContact O-CB 3.26Å; I49-L53 WeakPolarHBondContact O-CB 3.26Å; I49-L53 VanDerWaalsContact O-CG 3.22Å; I49-L53 WeakPolarHBondContact O-CG 3.04Å; I49-L53 PolarHBondContact O-N 2.92Å; I49-T105 HydrophobicContact CD1-CG2 4.12Å; I49-T105 HydrophobicContact CG1-CG2 4.32Å; I49-L108 HydrophobicContact CD1-CB 4.05Å; I49-L108 HydrophobicContact CD1-CD1 3.28Å; I49-L108 HydrophobicContact CD1-CG 4.3Å; I49-L108 HydrophobicContact CG2-CB 4.19Å; I49-Y152 HydrophobicContact CD1-CD2 4.06Å; I49-Y152 HydrophobicContact CD1-CE2 3.61Å; I49-Y152 HydrophobicContact CG1-CE2 4.42Å
50S92.2Very high91.7Very high59 Ų5959.8 Ų59.841%0.41331%0.31SS..Hα-helixtrans-68.3-44.3-175.1-59.80000112.3D48 D54D48-S50 PolarHBondContact O-N 2.94Å; S50-D54 PolarHBondContact O-N 3.23Å; S50-D54 VanDerWaalsContact O-N 3.12Å
51A93.4Very high91.3Very high17 Ų1757.4 Ų57.414%0.1430%0.304CS..Hα-helixtrans-69-39.8178.300000111.8D48 L53 D54 Q57 Q58D48-A51 VanDerWaalsContact CG-CB 3.41Å; D48-A51 VanDerWaalsContact OD1-CB 3.29Å; D48-A51 WeakPolarHBondContact OD1-CB 3.39Å; D48-A51 PolarHBondContact OD1-N 3.15Å; D48-A51 VanDerWaalsContact OD2-CB 3.25Å; D48-A51 WeakPolarHBondContact OD2-CB 3.33Å; A51-L53 VanDerWaalsContact C-N 3.31Å; A51-L53 PolarHBondContact O-N 3.27Å; A51-D54 WeakPolarHBondContact O-CB 3.29Å; A51-D54 PolarHBondContact O-N 2.71Å; A51-Q57 PolarHBondContact O-OE1 3.23Å; A51-Q58 PolarHBondContact O-NE2 2.74Å
52K94.7Very high90.8Very high50 Ų5060.3 Ų60.322%0.21732%0.317CS..Hα-helixtrans-71.5-25.9-179.6-73-179.4171.4-1800113.6C44 I45 D47 D48 Q58 L65 A68C44-K52 WeakPolarHBondContact O-CD 3.44Å; C44-K52 PolarHBondContact O-NZ 3.23Å; I45-K52 HydrophobicContact CB-CB 4.02Å; I45-K52 HydrophobicContact CB-CD 4.21Å; I45-K52 HydrophobicContact CG2-CB 3.73Å; I45-K52 HydrophobicContact CG2-CD 4.2Å; D47-K52 WeakPolarHBondContact OD1-CE 3.39Å; D47-K52 IonicContact OD1-NZ 2.65Å; D47-K52 PolarHBondContact OD1-NZ 3.07Å; D47-K52 IonicContact OD2-NZ 2.89Å; D47-K52 PolarHBondContact OD2-NZ 3.02Å; D48-K52 WeakPolarHBondContact O-CB 3.36Å; D48-K52 VanDerWaalsContact O-CG 3.32Å; D48-K52 WeakPolarHBondContact O-CG 3.31Å; D48-K52 PolarHBondContact O-N 3.2Å; K52-Q58 VanDerWaalsContact O-CG 3.31Å; K52-Q58 WeakPolarHBondContact O-CG 3.18Å; K52-L65 HydrophobicContact CB-CD1 3.86Å; K52-L65 HydrophobicContact CD-CD1 4.49Å; K52-L65 HydrophobicContact CG-CD1 4.07Å; K52-A68 WeakPolarHBondContact O-CB 3.31Å
53L95.5Very high90.1Very high8 Ų863.1 Ų63.14%0.04234%0.336CS..Hα-helixtrans-86.8-10.5172.6-67.5-179.2000113.4I45 I49 A51 F55 P67 L71 Y109 H112I45-L53 HydrophobicContact CD1-CD1 3.99Å; I45-L53 HydrophobicContact CD1-CD2 3.75Å; I45-L53 HydrophobicContact CD1-CG 3.91Å; I49-L53 HydrophobicContact CG2-CD1 3.68Å; I49-L53 HydrophobicContact CG2-CG 4.36Å; I49-L53 VanDerWaalsContact O-CB 3.26Å; I49-L53 WeakPolarHBondContact O-CB 3.26Å; I49-L53 VanDerWaalsContact O-CG 3.22Å; I49-L53 WeakPolarHBondContact O-CG 3.04Å; I49-L53 PolarHBondContact O-N 2.92Å; A51-L53 VanDerWaalsContact C-N 3.31Å; A51-L53 PolarHBondContact O-N 3.27Å; L53-F55 PolarHBondContact O-N 3.46Å; L53-P67 HydrophobicContact CD2-CB 3.96Å; L53-L71 HydrophobicContact CB-CD2 3.81Å; L53-L71 HydrophobicContact CD1-CD2 4.35Å; L53-L71 HydrophobicContact CD2-CD2 4.18Å; L53-L71 HydrophobicContact CG-CD2 4.33Å; L53-Y109 HydrophobicContact CD1-CD2 3.84Å; L53-Y109 HydrophobicContact CD2-CD2 3.76Å; L53-Y109 HydrophobicContact CD2-CE2 3.75Å; L53-Y109 HydrophobicContact CG-CD2 4.47Å; L53-H112 HydrophobicContact CD1-CB 3.88Å
54D93.2Very high89.8Confident73 Ų7362.6 Ų62.639%0.3934%0.337SS..  trans-70.596.2169-175-19.5000109.9S50 A51 D56 Q57 Q58S50-D54 PolarHBondContact O-N 3.23Å; S50-D54 VanDerWaalsContact O-N 3.12Å; A51-D54 WeakPolarHBondContact O-CB 3.29Å; A51-D54 PolarHBondContact O-N 2.71Å; D54-D56 PolarHBondContact O-N 3.43Å; D54-D56 VanDerWaalsContact OD1-CB 3.32Å; D54-D56 WeakPolarHBondContact OD1-CB 3.17Å; D54-D56 PolarHBondContact OD1-N 2.7Å; D54-Q57 HydrophobicContact CB-CB 3.89Å; D54-Q57 WeakPolarHBondContact O-CB 3.48Å; D54-Q57 PolarHBondContact O-N 2.92Å; D54-Q57 VanDerWaalsContact O-N 3.15Å; D54-Q57 PolarHBondContact OD1-N 2.94Å; D54-Q57 VanDerWaalsContact OD1-N 3.09Å; D54-Q58 VanDerWaalsContact O-CG 3.3Å; D54-Q58 WeakPolarHBondContact O-CG 3.2Å; D54-Q58 PolarHBondContact O-N 3.48Å
55F89.6Confident89.8Confident22 Ų2261.7 Ų61.710%0.09633%0.328CS..Hα-helixtrans-63.2-28.8-178.4-177.7-105.1000113.9V7 L11 L53 Q58 C59 A68 R69 S72V7-F55 HydrophobicContact CG1-CE1 3.59Å; V7-F55 HydrophobicContact CG1-CZ 3.66Å; L11-F55 HydrophobicContact CD1-CD1 4.11Å; L11-F55 HydrophobicContact CD1-CE1 3.52Å; L11-F55 HydrophobicContact CD1-CZ 4.07Å; L53-F55 PolarHBondContact O-N 3.46Å; F55-Q58 PolarHBondContact O-N 3.27Å; F55-C59 WeakPolarHBondContact CE1-SG 3.42Å; F55-C59 WeakPolarHBondContact CZ-SG 3.23Å; F55-C59 VanDerWaalsContact O-CB 3.3Å; F55-C59 WeakPolarHBondContact O-CB 3.39Å; F55-C59 PolarHBondContact O-N 2.94Å; F55-C59 PolarHBondContact O-SG 3.43Å; F55-A68 HydrophobicContact CD2-CB 4.41Å; F55-R69 HydrophobicContact CE2-CB 4.09Å; F55-R69 HydrophobicContact CE2-CG 4.25Å; F55-S72 WeakPolarHBondContact CB-OG 3.38Å; F55-S72 WeakPolarHBondContact CG-OG 3.27Å
56D87.7Confident89.8Confident44 Ų4465.7 Ų65.724%0.23534%0.344CS..Hα-helixtrans-66-47.1174.2-78.8-17000110.2K4 H8 D54 Q58 C59 L60K4-D56 VanDerWaalsContact CE-OD1 3.25Å; K4-D56 WeakPolarHBondContact CE-OD1 3.45Å; K4-D56 WeakPolarHBondContact CE-OD2 3.06Å; K4-D56 IonicContact NZ-OD1 3.78Å; K4-D56 IonicContact NZ-OD2 2.72Å; K4-D56 PolarHBondContact NZ-OD2 2.66Å; H8-D56 IonicContact CD2-OD1 3.53Å; H8-D56 IonicContact CE1-OD1 3.53Å; H8-D56 PolarHBondContact CE1-OD1 3.49Å; H8-D56 IonicContact NE2-OD1 3.92Å; H8-D56 PolarHBondContact NE2-OD1 3.44Å; D54-D56 PolarHBondContact O-N 3.43Å; D54-D56 VanDerWaalsContact OD1-CB 3.32Å; D54-D56 WeakPolarHBondContact OD1-CB 3.17Å; D54-D56 PolarHBondContact OD1-N 2.7Å; D56-Q58 VanDerWaalsContact C-N 3.32Å; D56-Q58 PolarHBondContact O-N 2.91Å; D56-C59 PolarHBondContact O-N 3.28Å; D56-L60 VanDerWaalsContact O-CG 3.27Å; D56-L60 WeakPolarHBondContact O-CG 3.4Å; D56-L60 PolarHBondContact O-N 3.11Å
57Q88.1Confident90Very high82 Ų8261.1 Ų61.138%0.38332%0.324SS..Hα-helixtrans-60.8-44.1176.5-169.6175.64.100110.8A51 D54 L60 L61A51-Q57 PolarHBondContact O-OE1 3.23Å; D54-Q57 HydrophobicContact CB-CB 3.89Å; D54-Q57 WeakPolarHBondContact O-CB 3.48Å; D54-Q57 PolarHBondContact O-N 2.92Å; D54-Q57 VanDerWaalsContact O-N 3.15Å; D54-Q57 PolarHBondContact OD1-N 2.94Å; D54-Q57 VanDerWaalsContact OD1-N 3.09Å; Q57-L60 PolarHBondContact O-N 3.39Å; Q57-L61 HydrophobicContact CG-CD1 4.25Å; Q57-L61 WeakPolarHBondContact O-CG 3.48Å; Q57-L61 PolarHBondContact O-N 2.91Å
58Q89.1Confident90.2Very high12 Ų1255.8 Ų55.86%0.05630%0.296CS..Hα-helixtrans-64.7-41.1178.4-62.1-38.1-59.700112.8A51 K52 D54 F55 D56 L60 L61 M62 C63 L65 A68A51-Q58 PolarHBondContact O-NE2 2.74Å; K52-Q58 VanDerWaalsContact O-CG 3.31Å; K52-Q58 WeakPolarHBondContact O-CG 3.18Å; D54-Q58 VanDerWaalsContact O-CG 3.3Å; D54-Q58 WeakPolarHBondContact O-CG 3.2Å; D54-Q58 PolarHBondContact O-N 3.48Å; F55-Q58 PolarHBondContact O-N 3.27Å; D56-Q58 VanDerWaalsContact C-N 3.32Å; D56-Q58 PolarHBondContact O-N 2.91Å; Q58-L60 VanDerWaalsContact C-N 3.34Å; Q58-L60 PolarHBondContact O-N 2.98Å; Q58-L61 CarbonylContact O-C 3.57Å; Q58-L61 PolarHBondContact O-N 3.44Å; Q58-M62 PolarHBondContact O-N 3.4Å; Q58-C63 PolarHBondContact O-N 3.03Å; Q58-L65 HydrophobicContact CG-CD1 4Å; Q58-A68 HydrophobicContact CG-CB 4.2Å
59C83.9Confident90.2Very high40 Ų4056 Ų5627%0.2729%0.291SS..Hα-helixtrans-62.3-40.9175.2-78.30000112F55 D56 L61 M62F55-C59 WeakPolarHBondContact CE1-SG 3.42Å; F55-C59 WeakPolarHBondContact CZ-SG 3.23Å; F55-C59 VanDerWaalsContact O-CB 3.3Å; F55-C59 WeakPolarHBondContact O-CB 3.39Å; F55-C59 PolarHBondContact O-N 2.94Å; F55-C59 PolarHBondContact O-SG 3.43Å; D56-C59 PolarHBondContact O-N 3.28Å; C59-L61 VanDerWaalsContact C-N 3.33Å; C59-M62 PolarHBondContact O-N 3.24Å; C59-M62 VanDerWaalsContact O-N 3.08Å
60L84.3Confident90.4Very high123 Ų12356.3 Ų56.364%0.64429%0.292SS*.Hα-helixtrans-64.5-37.8176.3-72.1170.4000112.2D56 Q57 Q58 M62D56-L60 VanDerWaalsContact O-CG 3.27Å; D56-L60 WeakPolarHBondContact O-CG 3.4Å; D56-L60 PolarHBondContact O-N 3.11Å; Q57-L60 PolarHBondContact O-N 3.39Å; Q58-L60 VanDerWaalsContact C-N 3.34Å; Q58-L60 PolarHBondContact O-N 2.98Å; L60-M62 PolarHBondContact O-N 2.87Å
61L86Confident90.6Very high106 Ų10653.8 Ų53.856%0.55527%0.274SS*.THydrogen-bonded Turntrans-75.7-5.5174.7-65.8172.8000113.1Q57 Q58 C59 C63Q57-L61 HydrophobicContact CG-CD1 4.25Å; Q57-L61 WeakPolarHBondContact O-CG 3.48Å; Q57-L61 PolarHBondContact O-N 2.91Å; Q58-L61 CarbonylContact O-C 3.57Å; Q58-L61 PolarHBondContact O-N 3.44Å; C59-L61 VanDerWaalsContact C-N 3.33Å; L61-C63 HydrophobicContact CB-CB 4.23Å; L61-C63 PolarHBondContact O-N 2.99Å
62M81.2Confident90.8Very high149 Ų14953.8 Ų53.873%0.73427%0.273SS*.THydrogen-bonded Turntrans53.429.1-169.8-47.2-159.189.700112.6Q58 C59 L60Q58-M62 PolarHBondContact O-N 3.4Å; C59-M62 PolarHBondContact O-N 3.24Å; C59-M62 VanDerWaalsContact O-N 3.08Å; L60-M62 PolarHBondContact O-N 2.87Å
63C82.9Confident90.9Very high63 Ų6353.3 Ų53.343%0.42627%0.273SS..  trans-92.5116.2176.9-73.40000109.4Q58 L61 L65Q58-C63 PolarHBondContact O-N 3.03Å; L61-C63 HydrophobicContact CB-CB 4.23Å; L61-C63 PolarHBondContact O-N 2.99Å; C63-L65 PolarHBondContact O-N 3.25Å
64D85.1Confident91Very high115 Ų11553 Ų5362%0.61527%0.271SS*.  trans-89.981.4179.5-168.144.8000111.6R69D64-R69 IonicContact OD1-CZ 3.94Å; D64-R69 IonicContact OD1-NH1 3.99Å; D64-R69 PolarHBondContact OD1-NH1 3.13Å; D64-R69 IonicContact OD2-CZ 2.75Å; D64-R69 IonicContact OD2-NH1 2.59Å; D64-R69 PolarHBondContact OD2-NH1 3.43Å; D64-R69 IonicContact OD2-NH2 3.49Å; D64-R69 PolarHBondContact OD2-NH2 3.22Å
65L92.9Very high91.2Very high37 Ų3751.9 Ų51.919%0.19426%0.263CS..  trans-85.4112.4175.3-71.1178.7000110.8K52 Q58 C63 A68 R69K52-L65 HydrophobicContact CB-CD1 3.86Å; K52-L65 HydrophobicContact CD-CD1 4.49Å; K52-L65 HydrophobicContact CG-CD1 4.07Å; Q58-L65 HydrophobicContact CG-CD1 4Å; C63-L65 PolarHBondContact O-N 3.25Å; L65-A68 HydrophobicContact CB-CB 4.08Å; L65-A68 PolarHBondContact O-N 2.93Å; L65-A68 VanDerWaalsContact O-N 3.12Å; L65-R69 PolarHBondContact O-N 3.24Å
66Y94.2Very high91.5Very high85 Ų8551.5 Ų51.533%0.33326%0.264SS..Hα-helixtrans-52.9-44.1178.6176.4-116.4000113.8L36 A68 R69 L70L36-Y66 HydrophobicContact CB-CE1 4.29Å; L36-Y66 HydrophobicContact CD1-CD1 4.05Å; L36-Y66 HydrophobicContact CD1-CE1 4.1Å; L36-Y66 HydrophobicContact CD2-CE1 4.44Å; Y66-A68 PolarHBondContact O-N 3.44Å; Y66-R69 PolarHBondContact O-N 2.67Å; Y66-L70 HydrophobicContact CE1-CD2 4.46Å; Y66-L70 HydrophobicContact CE2-CB 4.49Å; Y66-L70 WeakPolarHBondContact O-CB 3.45Å; Y66-L70 PolarHBondContact O-N 3.42Å
67P96.7Very high92Very high3 Ų349.4 Ų49.42%0.01925%0.253CS..Hα-helixtrans-58.7-45.4175.8-24.634.6000113.3L36 L42 I45 L53 R69 L70 L71 Y109L36-P67 HydrophobicContact CD1-CG 4.2Å; L36-P67 HydrophobicContact CD2-CB 4.1Å; L36-P67 HydrophobicContact CD2-CG 4.39Å; L42-P67 HydrophobicContact CD2-CB 3.95Å; L42-P67 HydrophobicContact CD2-CG 4.06Å; I45-P67 HydrophobicContact CG2-CB 4.48Å; I45-P67 HydrophobicContact CG2-CG 4.39Å; L53-P67 HydrophobicContact CD2-CB 3.96Å; P67-R69 PolarHBondContact O-N 2.79Å; P67-L70 PolarHBondContact O-N 3.17Å; P67-L71 VanDerWaalsContact O-CB 3.26Å; P67-L71 WeakPolarHBondContact O-CB 3.34Å; P67-L71 PolarHBondContact O-N 3.39Å; P67-Y109 HydrophobicContact CB-CD2 4.46Å; P67-Y109 HydrophobicContact CB-CE2 3.9Å; P67-Y109 PolarHBondContact O-OH 3.33Å; P67-Y109 VanDerWaalsContact O-OH 3.11Å
68A95.9Very high92.5Very high1 Ų145.5 Ų45.51%0.00824%0.235CC..Hα-helixtrans-66.2-39.1-18000000112.1K52 F55 Q58 L65 Y66 S72K52-A68 WeakPolarHBondContact O-CB 3.31Å; F55-A68 HydrophobicContact CD2-CB 4.41Å; Q58-A68 HydrophobicContact CG-CB 4.2Å; L65-A68 HydrophobicContact CB-CB 4.08Å; L65-A68 PolarHBondContact O-N 2.93Å; L65-A68 VanDerWaalsContact O-N 3.12Å; Y66-A68 PolarHBondContact O-N 3.44Å; A68-S72 WeakPolarHBondContact O-CB 2.97Å; A68-S72 PolarHBondContact O-N 3.26Å; A68-S72 PolarHBondContact O-OG 3.01Å
69R94.2Very high92.8Very high85 Ų8549 Ų4932%0.32126%0.26SS..Hα-helixtrans-66.1-45.5177.4-174.8170.965.6-10413.8111.8F55 D64 L65 Y66 P67 S72 L73F55-R69 HydrophobicContact CE2-CB 4.09Å; F55-R69 HydrophobicContact CE2-CG 4.25Å; D64-R69 IonicContact OD1-CZ 3.94Å; D64-R69 IonicContact OD1-NH1 3.99Å; D64-R69 PolarHBondContact OD1-NH1 3.13Å; D64-R69 IonicContact OD2-CZ 2.75Å; D64-R69 IonicContact OD2-NH1 2.59Å; D64-R69 PolarHBondContact OD2-NH1 3.43Å; D64-R69 IonicContact OD2-NH2 3.49Å; D64-R69 PolarHBondContact OD2-NH2 3.22Å; L65-R69 PolarHBondContact O-N 3.24Å; Y66-R69 PolarHBondContact O-N 2.67Å; P67-R69 PolarHBondContact O-N 2.79Å; R69-S72 PolarHBondContact O-N 3.45Å; R69-L73 PolarHBondContact O-N 3.36Å
70L97.1Very high93.4Very high9 Ų949.9 Ų49.95%0.04726%0.26CS..Hα-helixtrans-66-41.2177.9-177.958.6000111.6M29 A32 I33 L36 Y66 P67 S72 L73 A74M29-L70 HydrophobicContact CG-CD1 4.33Å; A32-L70 HydrophobicContact CB-CD1 4.04Å; A32-L70 HydrophobicContact CB-CD2 4.03Å; I33-L70 HydrophobicContact CB-CD2 4.5Å; I33-L70 HydrophobicContact CG1-CD1 4.33Å; I33-L70 HydrophobicContact CG1-CD2 3.83Å; I33-L70 HydrophobicContact CG1-CG 4.01Å; L36-L70 HydrophobicContact CB-CD2 4.31Å; L36-L70 HydrophobicContact CD2-CD2 3.89Å; Y66-L70 HydrophobicContact CE1-CD2 4.46Å; Y66-L70 HydrophobicContact CE2-CB 4.49Å; Y66-L70 WeakPolarHBondContact O-CB 3.45Å; Y66-L70 PolarHBondContact O-N 3.42Å; P67-L70 PolarHBondContact O-N 3.17Å; L70-S72 VanDerWaalsContact C-N 3.33Å; L70-S72 PolarHBondContact O-N 2.82Å; L70-L73 PolarHBondContact O-N 2.93Å; L70-A74 WeakPolarHBondContact O-CB 3.33Å; L70-A74 PolarHBondContact O-N 3.1Å
71L97.5Very high93.9Very high6 Ų644.4 Ų44.43%0.03123%0.232CC..Hα-helixtrans-54.5-49.1172.6175.966.4000111.4L53 P67 A74 H75 Y109 H112 L113L53-L71 HydrophobicContact CB-CD2 3.81Å; L53-L71 HydrophobicContact CD1-CD2 4.35Å; L53-L71 HydrophobicContact CD2-CD2 4.18Å; L53-L71 HydrophobicContact CG-CD2 4.33Å; P67-L71 VanDerWaalsContact O-CB 3.26Å; P67-L71 WeakPolarHBondContact O-CB 3.34Å; P67-L71 PolarHBondContact O-N 3.39Å; L71-A74 WeakPolarHBondContact O-CB 3.21Å; L71-A74 PolarHBondContact O-N 3.45Å; L71-H75 VanDerWaalsContact CD1-CE1 3.5Å; L71-H75 WeakPolarHBondContact CD1-CE1 3.22Å; L71-H75 PolarHBondContact O-N 3.48Å; L71-Y109 HydrophobicContact CB-CE2 4.16Å; L71-Y109 PolarHBondContact N-OH 3.47Å; L71-H112 HydrophobicContact CD1-CB 4.31Å; L71-H112 HydrophobicContact CD2-CB 4.23Å; L71-L113 HydrophobicContact CD1-CB 4.23Å; L71-L113 HydrophobicContact CD1-CD2 3.44Å; L71-L113 VanDerWaalsContact CD1-CD2 3.44Å; L71-L113 HydrophobicContact CD1-CG 3.7Å
72S96.1Very high94.3Very high17 Ų1744.1 Ų44.112%0.11924%0.235CC..Hα-helixtrans-67.4-39.7-177.6-57.90000112.9F55 A68 R69 L70 A74 H75 A76F55-S72 WeakPolarHBondContact CB-OG 3.38Å; F55-S72 WeakPolarHBondContact CG-OG 3.27Å; A68-S72 WeakPolarHBondContact O-CB 2.97Å; A68-S72 PolarHBondContact O-N 3.26Å; A68-S72 PolarHBondContact O-OG 3.01Å; R69-S72 PolarHBondContact O-N 3.45Å; L70-S72 VanDerWaalsContact C-N 3.33Å; L70-S72 PolarHBondContact O-N 2.82Å; S72-A74 VanDerWaalsContact C-N 3.33Å; S72-H75 PolarHBondContact O-N 2.92Å; S72-A76 WeakPolarHBondContact O-CB 3.49Å; S72-A76 PolarHBondContact O-N 3.21Å
73L96.8Very high94.9Very high40 Ų4039.1 Ų39.121%0.20921%0.213CC..Hα-helixtrans-61-44.6171.9177.263000111.1L11 L14 L18 R69 L70 A76 V77L11-L73 HydrophobicContact CD2-CB 4.27Å; L11-L73 HydrophobicContact CD2-CD1 4.38Å; L14-L73 HydrophobicContact CB-CD1 4.23Å; L14-L73 HydrophobicContact CD1-CD1 4.46Å; L18-L73 HydrophobicContact CD1-CD1 4.4Å; R69-L73 PolarHBondContact O-N 3.36Å; L70-L73 PolarHBondContact O-N 2.93Å; L73-A76 PolarHBondContact O-N 3.14Å; L73-V77 HydrophobicContact CD1-CG2 4.31Å; L73-V77 WeakPolarHBondContact O-CG2 3.4Å; L73-V77 PolarHBondContact O-N 3.36Å
74A98Very high95.2Very high0 Ų038.2 Ų38.20%021%0.214CC..Hα-helixtrans-62.9-44179.600000111.9M29 I33 L70 L71 S72 A76 V77 W78 L113M29-A74 HydrophobicContact CE-CB 4.36Å; M29-A74 VanDerWaalsContact SD-CA 3.59Å; M29-A74 HydrophobicContact SD-CB 3.99Å; I33-A74 HydrophobicContact CD1-CB 4.15Å; L70-A74 WeakPolarHBondContact O-CB 3.33Å; L70-A74 PolarHBondContact O-N 3.1Å; L71-A74 WeakPolarHBondContact O-CB 3.21Å; L71-A74 PolarHBondContact O-N 3.45Å; S72-A74 VanDerWaalsContact C-N 3.33Å; A74-A76 PolarHBondContact O-N 3.44Å; A74-V77 PolarHBondContact O-N 3.33Å; A74-W78 HydrophobicContact CB-CD2 4.4Å; A74-W78 HydrophobicContact CB-CE3 3.98Å; A74-W78 HydrophobicContact CB-CH2 3.6Å; A74-W78 HydrophobicContact CB-CZ2 4Å; A74-W78 HydrophobicContact CB-CZ3 3.6Å; A74-W78 WeakPolarHBondContact O-CB 3.45Å; A74-W78 VanDerWaalsContact O-CE3 3.29Å; A74-W78 VanDerWaalsContact O-CG 3.28Å; A74-W78 PolarHBondContact O-N 2.97Å; A74-L113 HydrophobicContact CB-CD2 3.92Å
75H97.7Very high95.6Very high51 Ų5133.6 Ų33.624%0.23619%0.193CC..Hα-helixtrans-59.9-43.5173.1-70.8168.8000112.4L71 S72 V77 W78 C79 H112 L113L71-H75 VanDerWaalsContact CD1-CE1 3.5Å; L71-H75 WeakPolarHBondContact CD1-CE1 3.22Å; L71-H75 PolarHBondContact O-N 3.48Å; S72-H75 PolarHBondContact O-N 2.92Å; H75-V77 PolarHBondContact O-N 3.43Å; H75-W78 PolarHBondContact O-N 2.92Å; H75-C79 VanDerWaalsContact O-CB 3.29Å; H75-C79 WeakPolarHBondContact O-CB 3.33Å; H75-C79 PolarHBondContact O-N 2.99Å; H75-H112 PolarHBondContact CE1-O 3.42Å; H75-H112 VanDerWaalsContact CE1-O 3.32Å; H75-H112 PolarHBondContact NE2-O 2.96Å; H75-L113 PolarHBondContact NE2-O 3.45Å; H75-L113 VanDerWaalsContact NE2-O 3.16Å
76A97Very high95.7Very high14 Ų1431.9 Ų31.912%0.11618%0.184CC..Hα-helixtrans-62-44.3176.900000112.1L11 S72 L73 A74 C79 H80L11-A76 HydrophobicContact CB-CB 4.17Å; L11-A76 WeakPolarHBondContact O-CB 3.5Å; S72-A76 WeakPolarHBondContact O-CB 3.49Å; S72-A76 PolarHBondContact O-N 3.21Å; L73-A76 PolarHBondContact O-N 3.14Å; A74-A76 PolarHBondContact O-N 3.44Å; A76-C79 PolarHBondContact O-N 3.34Å; A76-H80 PolarHBondContact O-CD2 3.5Å; A76-H80 PolarHBondContact O-N 3.44Å
77V97.9Very high95.7Very high0 Ų033.7 Ų33.70%020%0.196CC..Hα-helixtrans-62.6-47.2175.7169.90000111L18 T19 V26 M29 L73 A74 H75 C79 H80 S81L18-V77 HydrophobicContact CB-CG2 4.25Å; L18-V77 HydrophobicContact CD1-CG2 3.76Å; T19-V77 HydrophobicContact CG2-CG1 3.92Å; T19-V77 WeakPolarHBondContact CG2-O 3.29Å; V26-V77 HydrophobicContact CG1-CG1 3.93Å; M29-V77 HydrophobicContact CE-CB 4.31Å; M29-V77 HydrophobicContact CE-CG1 4.01Å; M29-V77 HydrophobicContact SD-CB 3.86Å; M29-V77 HydrophobicContact SD-CG1 4.08Å; M29-V77 HydrophobicContact SD-CG2 3.79Å; L73-V77 HydrophobicContact CD1-CG2 4.31Å; L73-V77 WeakPolarHBondContact O-CG2 3.4Å; L73-V77 PolarHBondContact O-N 3.36Å; A74-V77 PolarHBondContact O-N 3.33Å; H75-V77 PolarHBondContact O-N 3.43Å; V77-C79 VanDerWaalsContact C-N 3.34Å; V77-C79 PolarHBondContact O-N 3.48Å; V77-H80 PolarHBondContact O-N 3.45Å; V77-S81 PolarHBondContact O-N 3.43Å; V77-S81 PolarHBondContact O-OG 2.91Å
78W97.4Very high95.6Very high0 Ų036.6 Ų36.60%021%0.211CC..Hα-helixtrans-71.6-27.4-178-63.3-35.9000113.6M29 Y30 I33 A74 H75 H80 S81 L86 L89 W97 L113 L117 R120M29-W78 HydrophobicContact CE-CZ2 3.98Å; Y30-W78 HydrophobicContact CE1-CZ2 4.08Å; Y30-W78 AromaticContact CZ-NE1 3.68Å; Y30-W78 PolarHBondContact OH-NE1 3.39Å; I33-W78 HydrophobicContact CD1-CH2 4.06Å; I33-W78 HydrophobicContact CD1-CZ2 4.14Å; A74-W78 HydrophobicContact CB-CD2 4.4Å; A74-W78 HydrophobicContact CB-CE3 3.98Å; A74-W78 HydrophobicContact CB-CH2 3.6Å; A74-W78 HydrophobicContact CB-CZ2 4Å; A74-W78 HydrophobicContact CB-CZ3 3.6Å; A74-W78 WeakPolarHBondContact O-CB 3.45Å; A74-W78 VanDerWaalsContact O-CE3 3.29Å; A74-W78 VanDerWaalsContact O-CG 3.28Å; A74-W78 PolarHBondContact O-N 2.97Å; H75-W78 PolarHBondContact O-N 2.92Å; W78-H80 VanDerWaalsContact C-N 3.26Å; W78-H80 PolarHBondContact O-N 2.95Å; W78-S81 PolarHBondContact O-N 3.34Å; W78-L86 HydrophobicContact CB-CD2 3.88Å; W78-L86 HydrophobicContact CG-CD2 4.21Å; W78-L89 HydrophobicContact CD2-CD2 4.25Å; W78-L89 HydrophobicContact CH2-CD1 3.85Å; W78-L89 HydrophobicContact CZ2-CD1 3.65Å; W78-L89 HydrophobicContact CZ2-CG 4.46Å; W78-W97 AromaticContact CH2-CH2 3.73Å; W78-W97 HydrophobicContact CH2-CH2 3.73Å; W78-W97 HydrophobicContact CH2-CZ2 4.49Å; W78-W97 AromaticContact CZ2-CH2 3.98Å; W78-W97 HydrophobicContact CZ2-CH2 3.98Å; W78-W97 HydrophobicContact CZ2-CZ2 4.43Å; W78-L113 HydrophobicContact CH2-CB 4.22Å; W78-L113 HydrophobicContact CH2-CD2 3.7Å; W78-L113 HydrophobicContact CH2-CG 4.43Å; W78-L113 HydrophobicContact CZ3-CB 4.05Å; W78-L113 HydrophobicContact CZ3-CD2 3.73Å; W78-L113 HydrophobicContact CZ3-CG 4.49Å; W78-L113 WeakPolarHBondContact CZ3-O 2.93Å; W78-L117 HydrophobicContact CB-CD1 3.83Å; W78-L117 HydrophobicContact CB-CD2 3.86Å; W78-L117 HydrophobicContact CD2-CD1 3.79Å; W78-L117 HydrophobicContact CE3-CD1 3.48Å; W78-L117 VanDerWaalsContact CE3-CD1 3.48Å; W78-L117 HydrophobicContact CG-CD1 3.97Å; W78-L117 HydrophobicContact CZ3-CD1 4.23Å; W78-R120 PolarHBondContact O-NH1 3.1Å
79C95.8Very high95.6Very high85 Ų8536.6 Ų36.657%0.57421%0.211SC*.Hα-helixtrans-59.5-39.9172.6-1700000111.5H75 A76 V77 R120H75-C79 VanDerWaalsContact O-CB 3.29Å; H75-C79 WeakPolarHBondContact O-CB 3.33Å; H75-C79 PolarHBondContact O-N 2.99Å; A76-C79 PolarHBondContact O-N 3.34Å; V77-C79 VanDerWaalsContact C-N 3.34Å; V77-C79 PolarHBondContact O-N 3.48Å; C79-R120 PolarHBondContact O-NH1 3.12Å
80H96.4Very high95.7Very high58 Ų5832.8 Ų32.827%0.26920%0.197SC..Hα-helixtrans-92-9.4179-63-58.3000114.5N12 L16 T19 A76 V77 W78N12-H80 PolarHBondContact OD1-CE1 2.75Å; N12-H80 PolarHBondContact OD1-NE2 2.59Å; L16-H80 HydrophobicContact CD2-CB 4.27Å; L16-H80 WeakPolarHBondContact CD2-ND1 3.44Å; T19-H80 HydrophobicContact CG2-CB 4.02Å; T19-H80 WeakPolarHBondContact OG1-CB 3.29Å; A76-H80 PolarHBondContact O-CD2 3.5Å; A76-H80 PolarHBondContact O-N 3.44Å; V77-H80 PolarHBondContact O-N 3.45Å; W78-H80 VanDerWaalsContact C-N 3.26Å; W78-H80 PolarHBondContact O-N 2.95Å
81S96.1Very high95.7Very high9 Ų937.4 Ų37.46%0.06322%0.218CC..  trans-66.4141.8-178.3-69.80000110.9T19 V77 W78 R120T19-S81 WeakPolarHBondContact CG2-OG 3.34Å; V77-S81 PolarHBondContact O-N 3.43Å; V77-S81 PolarHBondContact O-OG 2.91Å; W78-S81 PolarHBondContact O-N 3.34Å; S81-R120 VanDerWaalsContact O-CZ 3.25Å; S81-R120 PolarHBondContact O-NH1 3.31Å; S81-R120 PolarHBondContact O-NH2 3.41Å
82T94.3Very high95.7Very high100 Ų10037.5 Ų37.561%0.61322%0.22SC*.  trans-66.9166.416764.40000110.7G84 G85 L86T82-G84 PolarHBondContact O-N 3.12Å; T82-G85 WeakPolarHBondContact O-CA 3.4Å; T82-G85 PolarHBondContact O-N 3.13Å; T82-G85 PolarHBondContact OG1-N 3.12Å; T82-L86 PolarHBondContact O-N 3.38Å
83T92.3Very high95.7Very high44 Ų4436.7 Ų36.727%0.2721%0.214SC..Hα-helixtrans-53.2-37173.1-46.50000112.4L86 Q87 E124 R125T83-L86 PolarHBondContact O-N 2.82Å; T83-Q87 PolarHBondContact O-N 3.18Å; T83-E124 HydrophobicContact CG2-CB 4.31Å; T83-E124 PolarHBondContact OG1-OE2 3.38Å; T83-R125 HydrophobicContact CG2-CB 4.43Å; T83-R125 HydrophobicContact CG2-CG 3.25Å
84G90.8Very high95.7Very high44 Ų4438.3 Ų38.345%0.45422%0.22SC..Hα-helixtrans-66.5-37.7174.900000112.8T82 Q87T82-G84 PolarHBondContact O-N 3.12Å; G84-Q87 WeakPolarHBondContact O-CB 2.92Å; G84-Q87 PolarHBondContact O-N 2.99Å
85G92.5Very high95.6Very high17 Ų1741.1 Ų41.118%0.17524%0.237CC..Hα-helixtrans-62.8-41.3172.700000112.4T82 Q87 L88T82-G85 WeakPolarHBondContact O-CA 3.4Å; T82-G85 PolarHBondContact O-N 3.13Å; T82-G85 PolarHBondContact OG1-N 3.12Å; G85-Q87 PolarHBondContact O-N 3.02Å; G85-L88 VanDerWaalsContact O-CB 3.31Å; G85-L88 WeakPolarHBondContact O-CB 3.44Å; G85-L88 PolarHBondContact O-N 3.23Å; G85-L88 VanDerWaalsContact O-N 3.07Å
86L94.9Very high95.6Very high2 Ų240.5 Ų40.51%0.0124%0.238CC..Hα-helixtrans-64.3-25.3175.5-65.7-178.4000113W78 T82 T83 L88 L89 V90 L117 R120 L121W78-L86 HydrophobicContact CB-CD2 3.88Å; W78-L86 HydrophobicContact CG-CD2 4.21Å; T82-L86 PolarHBondContact O-N 3.38Å; T83-L86 PolarHBondContact O-N 2.82Å; L86-L88 PolarHBondContact O-N 3.15Å; L86-L89 WeakPolarHBondContact O-CB 3.04Å; L86-L89 PolarHBondContact O-N 2.74Å; L86-L89 VanDerWaalsContact O-N 3.15Å; L86-V90 PolarHBondContact O-N 3.39Å; L86-L117 HydrophobicContact CD2-CD1 4.48Å; L86-R120 HydrophobicContact CD1-CG 4.35Å; L86-L121 HydrophobicContact CB-CD2 4.05Å; L86-L121 HydrophobicContact CD1-CD2 4.01Å
87Q94.4Very high95.6Very high123 Ų12339.9 Ų39.958%0.57523%0.233SC*.Hα-helixtrans-65.3-27.9174.6-165.5170.1-12.400112.4T83 G84 G85 V90 Q91T83-Q87 PolarHBondContact O-N 3.18Å; G84-Q87 WeakPolarHBondContact O-CB 2.92Å; G84-Q87 PolarHBondContact O-N 2.99Å; G85-Q87 PolarHBondContact O-N 3.02Å; Q87-V90 PolarHBondContact O-N 3.35Å; Q87-Q91 WeakPolarHBondContact O-CB 3.4Å; Q87-Q91 PolarHBondContact O-N 3.23Å
88L95.2Very high95.5Very high64 Ų6442.4 Ų42.434%0.33524%0.244SC..Hα-helixtrans-65.9-39.3172.8-60.6173.8000111.5V23 Y30 G85 L86 Q91 A92V23-L88 HydrophobicContact CG1-CD1 3.72Å; V23-L88 HydrophobicContact CG2-CD1 4.12Å; Y30-L88 HydrophobicContact CE2-CB 4.31Å; G85-L88 VanDerWaalsContact O-CB 3.31Å; G85-L88 WeakPolarHBondContact O-CB 3.44Å; G85-L88 PolarHBondContact O-N 3.23Å; G85-L88 VanDerWaalsContact O-N 3.07Å; L86-L88 PolarHBondContact O-N 3.15Å; L88-Q91 PolarHBondContact O-N 2.8Å; L88-A92 WeakPolarHBondContact O-CB 3.45Å; L88-A92 PolarHBondContact O-N 2.94Å
89L95.9Very high95.5Very high1 Ų148.2 Ų48.21%0.00527%0.274CS..Hα-helixtrans-58.7-50.7172.2163.767.3000111Y30 W78 L86 Q91 A92 M93 W97 T114 L117Y30-L89 HydrophobicContact CE1-CB 4.25Å; Y30-L89 PolarHBondContact OH-N 3.17Å; W78-L89 HydrophobicContact CD2-CD2 4.25Å; W78-L89 HydrophobicContact CH2-CD1 3.85Å; W78-L89 HydrophobicContact CZ2-CD1 3.65Å; W78-L89 HydrophobicContact CZ2-CG 4.46Å; L86-L89 WeakPolarHBondContact O-CB 3.04Å; L86-L89 PolarHBondContact O-N 2.74Å; L86-L89 VanDerWaalsContact O-N 3.15Å; L89-Q91 VanDerWaalsContact C-N 3.26Å; L89-Q91 PolarHBondContact O-N 3.39Å; L89-A92 PolarHBondContact O-N 3.04Å; L89-A92 VanDerWaalsContact O-N 3.17Å; L89-M93 HydrophobicContact CD1-CG 4.12Å; L89-M93 HydrophobicContact CD1-SD 4.35Å; L89-M93 WeakPolarHBondContact O-CG 3.23Å; L89-M93 PolarHBondContact O-N 3.06Å; L89-W97 HydrophobicContact CD1-CH2 3.25Å; L89-W97 HydrophobicContact CD1-CZ2 4.13Å; L89-W97 HydrophobicContact CD1-CZ3 3.59Å; L89-T114 HydrophobicContact CD1-CG2 4.49Å; L89-L117 HydrophobicContact CD2-CD1 3.26Å
90V96.3Very high95.5Very high5 Ų546.9 Ų46.93%0.0326%0.26CS..Hα-helixtrans-59.1-41.9179.3-1780000110.8L86 Q87 M93 K94 C128 D131 V132L86-V90 PolarHBondContact O-N 3.39Å; Q87-V90 PolarHBondContact O-N 3.35Å; V90-M93 PolarHBondContact O-N 3.33Å; V90-K94 HydrophobicContact CG1-CD 3.98Å; V90-K94 VanDerWaalsContact O-CG 3.31Å; V90-K94 WeakPolarHBondContact O-CG 3.3Å; V90-K94 PolarHBondContact O-N 3.01Å; V90-K94 VanDerWaalsContact O-N 3.1Å; V90-C128 HydrophobicContact CG2-CB 3.94Å; V90-D131 HydrophobicContact CG1-CB 3.59Å; V90-V132 HydrophobicContact CG1-CG2 4.38Å; V90-V132 HydrophobicContact CG2-CG2 3.86Å
91Q96.6Very high95.6Very high105 Ų10544.2 Ų44.249%0.49125%0.247SC..Hα-helixtrans-64.1-43.8177.1-1756122.100112Q87 L88 L89 M93 K94 T95Q87-Q91 WeakPolarHBondContact O-CB 3.4Å; Q87-Q91 PolarHBondContact O-N 3.23Å; L88-Q91 PolarHBondContact O-N 2.8Å; L89-Q91 VanDerWaalsContact C-N 3.26Å; L89-Q91 PolarHBondContact O-N 3.39Å; Q91-M93 PolarHBondContact O-N 3.47Å; Q91-K94 PolarHBondContact O-N 2.83Å; Q91-T95 WeakPolarHBondContact O-CB 3.43Å; Q91-T95 PolarHBondContact O-N 2.77Å; Q91-T95 VanDerWaalsContact O-N 3.14Å; Q91-T95 PolarHBondContact O-OG1 3.17Å
92A97Very high95.6Very high9 Ų948.9 Ų48.97%0.07427%0.266CS..Hα-helixtrans-61.9-43177.700000111.5Y30 L88 L89 K94 T95 S96 W97Y30-A92 HydrophobicContact CD1-CB 3.86Å; Y30-A92 HydrophobicContact CE1-CB 4.1Å; L88-A92 WeakPolarHBondContact O-CB 3.45Å; L88-A92 PolarHBondContact O-N 2.94Å; L89-A92 PolarHBondContact O-N 3.04Å; L89-A92 VanDerWaalsContact O-N 3.17Å; A92-K94 PolarHBondContact O-N 3.35Å; A92-T95 CarbonylContact O-C 3.49Å; A92-T95 PolarHBondContact O-N 3.14Å; A92-S96 PolarHBondContact O-N 2.93Å; A92-S96 VanDerWaalsContact O-N 3.11Å; A92-S96 PolarHBondContact O-OG 3.49Å; A92-W97 HydrophobicContact CB-CD2 4.47Å; A92-W97 HydrophobicContact CB-CZ2 4.33Å; A92-W97 PolarHBondContact O-N 3.32Å
93M97.3Very high95.8Very high0 Ų046.9 Ų46.90%025%0.254CS..Iπ-helixtrans-57.4-49.6174.6-73.2-171.373.200112.3L89 V90 Q91 T95 W97 K98 V110 T114 V132 A135 V136 M139L89-M93 HydrophobicContact CD1-CG 4.12Å; L89-M93 HydrophobicContact CD1-SD 4.35Å; L89-M93 WeakPolarHBondContact O-CG 3.23Å; L89-M93 PolarHBondContact O-N 3.06Å; V90-M93 PolarHBondContact O-N 3.33Å; Q91-M93 PolarHBondContact O-N 3.47Å; M93-T95 PolarHBondContact O-N 3.18Å; M93-W97 HydrophobicContact CB-CE3 4.47Å; M93-W97 HydrophobicContact CG-CD2 4.36Å; M93-W97 HydrophobicContact CG-CE3 3.54Å; M93-W97 HydrophobicContact CG-CZ3 3.69Å; M93-K98 WeakPolarHBondContact O-CB 3.35Å; M93-K98 PolarHBondContact O-N 3.09Å; M93-V110 HydrophobicContact CE-CG1 3.93Å; M93-T114 HydrophobicContact CE-CG2 3.63Å; M93-T114 HydrophobicContact CG-CG2 4.39Å; M93-T114 HydrophobicContact SD-CG2 3.32Å; M93-T114 WeakPolarHBondContact SD-CG2 3.5Å; M93-V132 HydrophobicContact CE-CG1 3.96Å; M93-V132 HydrophobicContact SD-CB 4.41Å; M93-V132 HydrophobicContact SD-CG1 4.01Å; M93-V132 HydrophobicContact SD-CG2 3.84Å; M93-A135 HydrophobicContact CB-CB 4.27Å; M93-A135 HydrophobicContact CE-CB 4.29Å; M93-V136 HydrophobicContact CE-CG2 4.11Å; M93-M139 HydrophobicContact CB-CE 4.17Å; M93-M139 HydrophobicContact CE-CE 4.29Å; M93-M139 WeakPolarHBondContact O-CE 3.47Å
94K96.4Very high96Very high74 Ų7445.3 Ų45.332%0.32224%0.244SC..Iπ-helixtrans-68.5-19.3-177.3-68.217177.1174.10113.6V90 Q91 A92 K98 D131 A135V90-K94 HydrophobicContact CG1-CD 3.98Å; V90-K94 VanDerWaalsContact O-CG 3.31Å; V90-K94 WeakPolarHBondContact O-CG 3.3Å; V90-K94 PolarHBondContact O-N 3.01Å; V90-K94 VanDerWaalsContact O-N 3.1Å; Q91-K94 PolarHBondContact O-N 2.83Å; A92-K94 PolarHBondContact O-N 3.35Å; K94-K98 VanDerWaalsContact O-CE 3.25Å; K94-K98 WeakPolarHBondContact O-CE 3.43Å; K94-D131 HydrophobicContact CD-CB 4.1Å; K94-D131 VanDerWaalsContact NZ-CG 3.3Å; K94-D131 IonicContact NZ-OD1 3.53Å; K94-D131 IonicContact NZ-OD2 2.78Å; K94-D131 PolarHBondContact NZ-OD2 3.11Å; K94-A135 HydrophobicContact CG-CB 4.35Å
95T96.5Very high96.4Very high59 Ų5943.7 Ų43.736%0.36223%0.225SC..Iπ-helixtrans-118.7-94.8-173.559.30000111.3Q91 A92 M93 W97 K98 L99Q91-T95 WeakPolarHBondContact O-CB 3.43Å; Q91-T95 PolarHBondContact O-N 2.77Å; Q91-T95 VanDerWaalsContact O-N 3.14Å; Q91-T95 PolarHBondContact O-OG1 3.17Å; A92-T95 CarbonylContact O-C 3.49Å; A92-T95 PolarHBondContact O-N 3.14Å; M93-T95 PolarHBondContact O-N 3.18Å; T95-W97 PolarHBondContact O-N 3.01Å; T95-K98 PolarHBondContact O-N 3.42Å; T95-L99 WeakPolarHBondContact O-CG 3.39Å; T95-L99 PolarHBondContact O-N 3.46Å
96S96.5Very high96.6Very high38 Ų3843.9 Ų43.927%0.26622%0.221SC..Iπ-helixtrans-59.4-42.2-168.655.90000112.9A92 L99A92-S96 PolarHBondContact O-N 2.93Å; A92-S96 VanDerWaalsContact O-N 3.11Å; A92-S96 PolarHBondContact O-OG 3.49Å; S96-L99 PolarHBondContact O-N 2.92Å
97W97.3Very high96.8Very high0 Ų043.8 Ų43.80%022%0.221CC..Iπ-helixtrans-72.1-43.9-176.2-61.85.7000111.7Y30 I33 L37 W78 L89 A92 M93 T95 L99 Q100 V101 V110 L113 T114 M139Y30-W97 AromaticContact CD1-CZ2 3.97Å; Y30-W97 HydrophobicContact CD1-CZ2 3.97Å; Y30-W97 HydrophobicContact CE1-CZ2 4.22Å; I33-W97 HydrophobicContact CB-CZ2 4.18Å; I33-W97 HydrophobicContact CD1-CH2 4.21Å; I33-W97 HydrophobicContact CD1-CZ2 3.78Å; I33-W97 HydrophobicContact CG2-CD2 4.25Å; I33-W97 HydrophobicContact CG2-CH2 4.23Å; I33-W97 HydrophobicContact CG2-CZ2 3.61Å; L37-W97 HydrophobicContact CD1-CB 3.94Å; L37-W97 HydrophobicContact CD1-CD2 4.32Å; L37-W97 HydrophobicContact CD1-CG 3.87Å; W78-W97 AromaticContact CH2-CH2 3.73Å; W78-W97 HydrophobicContact CH2-CH2 3.73Å; W78-W97 HydrophobicContact CH2-CZ2 4.49Å; W78-W97 AromaticContact CZ2-CH2 3.98Å; W78-W97 HydrophobicContact CZ2-CH2 3.98Å; W78-W97 HydrophobicContact CZ2-CZ2 4.43Å; L89-W97 HydrophobicContact CD1-CH2 3.25Å; L89-W97 HydrophobicContact CD1-CZ2 4.13Å; L89-W97 HydrophobicContact CD1-CZ3 3.59Å; A92-W97 HydrophobicContact CB-CD2 4.47Å; A92-W97 HydrophobicContact CB-CZ2 4.33Å; A92-W97 PolarHBondContact O-N 3.32Å; M93-W97 HydrophobicContact CB-CE3 4.47Å; M93-W97 HydrophobicContact CG-CD2 4.36Å; M93-W97 HydrophobicContact CG-CE3 3.54Å; M93-W97 HydrophobicContact CG-CZ3 3.69Å; T95-W97 PolarHBondContact O-N 3.01Å; W97-L99 PolarHBondContact O-N 2.88Å; W97-L99 VanDerWaalsContact O-N 3.11Å; W97-Q100 PolarHBondContact O-N 2.84Å; W97-V101 WeakPolarHBondContact O-CG2 3.42Å; W97-V101 PolarHBondContact O-N 3.34Å; W97-V101 VanDerWaalsContact O-N 3.12Å; W97-V110 HydrophobicContact CE3-CG1 4.11Å; W97-V110 HydrophobicContact CE3-CG2 4.23Å; W97-V110 HydrophobicContact CZ3-CG1 4.44Å; W97-L113 HydrophobicContact CH2-CD1 4.03Å; W97-L113 HydrophobicContact CZ3-CD1 3.99Å; W97-T114 HydrophobicContact CZ3-CG2 4.32Å; W97-M139 HydrophobicContact CB-CE 4.22Å
98K96.2Very high97Very high54 Ų5438.3 Ų38.324%0.23520%0.195CC..Hα-helixtrans-55.1-33.1178.5-17817262.2174.50112.6M93 K94 T95 Q100 E138 M139M93-K98 WeakPolarHBondContact O-CB 3.35Å; M93-K98 PolarHBondContact O-N 3.09Å; K94-K98 VanDerWaalsContact O-CE 3.25Å; K94-K98 WeakPolarHBondContact O-CE 3.43Å; T95-K98 PolarHBondContact O-N 3.42Å; K98-Q100 VanDerWaalsContact C-N 3.35Å; K98-E138 HydrophobicContact CD-CB 3.93Å; K98-E138 VanDerWaalsContact CD-OE2 3.26Å; K98-E138 WeakPolarHBondContact CD-OE2 3.34Å; K98-E138 IonicContact NZ-OE2 2.66Å; K98-E138 PolarHBondContact NZ-OE2 2.94Å; K98-M139 HydrophobicContact CB-CE 4Å; K98-M139 HydrophobicContact CB-CG 4.22Å; K98-M139 HydrophobicContact CG-CG 4.13Å
99L96.1Very high97.1Very high122 Ų12235.2 Ų35.264%0.63918%0.179SC*.Hα-helixtrans-72.5-25.7178.2-64174.6000113.6T95 S96 W97T95-L99 WeakPolarHBondContact O-CG 3.39Å; T95-L99 PolarHBondContact O-N 3.46Å; S96-L99 PolarHBondContact O-N 2.92Å; W97-L99 PolarHBondContact O-N 2.88Å; W97-L99 VanDerWaalsContact O-N 3.11Å
100Q97.3Very high97.2Very high57 Ų5735.2 Ų35.227%0.26618%0.18SC..Hα-helixtrans-91.5-30.7-178.2-57.3-49-37.300113.2V34 L37 A38 W97 K98 K102 Q106V34-Q100 HydrophobicContact CG1-CG 4.17Å; L37-Q100 HydrophobicContact CB-CB 3.74Å; L37-Q100 HydrophobicContact CB-CG 4.4Å; A38-Q100 HydrophobicContact CB-CG 4.48Å; W97-Q100 PolarHBondContact O-N 2.84Å; K98-Q100 VanDerWaalsContact C-N 3.35Å; Q100-K102 PolarHBondContact O-N 3.16Å; Q100-K102 VanDerWaalsContact O-N 3.1Å; Q100-Q106 PolarHBondContact O-OE1 3.16Å
101V97.9Very high97.3Very high1 Ų135.4 Ų35.41%0.00618%0.181CC..  trans-71.9105.8-175178.20000111.1L37 W97 Q106 F107 V110 M139 V143L37-V101 HydrophobicContact CD1-CG2 4.46Å; L37-V101 HydrophobicContact CD2-CG2 4.27Å; W97-V101 WeakPolarHBondContact O-CG2 3.42Å; W97-V101 PolarHBondContact O-N 3.34Å; W97-V101 VanDerWaalsContact O-N 3.12Å; V101-Q106 HydrophobicContact CB-CB 4.5Å; V101-Q106 HydrophobicContact CG1-CB 4.2Å; V101-Q106 HydrophobicContact CG2-CB 4.34Å; V101-F107 HydrophobicContact CG1-CB 3.8Å; V101-V110 HydrophobicContact CG2-CG2 3.83Å; V101-M139 HydrophobicContact CB-CB 4.46Å; V101-M139 HydrophobicContact CB-CG 4.29Å; V101-M139 HydrophobicContact CB-SD 4.27Å; V101-M139 HydrophobicContact CG1-CB 4.11Å; V101-M139 HydrophobicContact CG1-CG 4.45Å; V101-M139 HydrophobicContact CG2-SD 3.88Å; V101-V143 HydrophobicContact CG1-CG2 3.67Å
102K96.9Very high97.4Very high107 Ų10732.9 Ų32.947%0.46517%0.169SC..  trans-131-14.1-178.7-63.6174.2-174.91730113.4Q100 Q146Q100-K102 PolarHBondContact O-N 3.16Å; Q100-K102 VanDerWaalsContact O-N 3.1Å; K102-Q146 HydrophobicContact CB-CG 4.32Å; K102-Q146 VanDerWaalsContact O-CB 3.3Å; K102-Q146 WeakPolarHBondContact O-CB 3.41Å
103T97.5Very high97.4Very high58 Ų5832.5 Ų32.536%0.35617%0.165SC..SBendtrans-116.9157.7179.166.70000110.7T105 Q106 F107 V143T103-T105 VanDerWaalsContact C-N 3.32Å; T103-T105 PolarHBondContact O-N 3.42Å; T103-Q106 PolarHBondContact O-N 3.3Å; T103-Q106 VanDerWaalsContact OG1-CG 3.23Å; T103-Q106 WeakPolarHBondContact OG1-CG 3.28Å; T103-Q106 PolarHBondContact OG1-N 3.04Å; T103-Q106 PolarHBondContact OG1-OE1 2.94Å; T103-F107 PolarHBondContact O-N 3.09Å; T103-F107 VanDerWaalsContact O-N 3.14Å; T103-V143 WeakPolarHBondContact O-CG2 3.32Å
104E97.6Very high97.4Very high12 Ų1232.5 Ų32.56%0.05617%0.166CC..Hα-helixtrans-59.9-41.9177.7-174.3171.3-144.800112.3Q106 F107 L108 V143 L150 Q151 Y152 I156E104-Q106 PolarHBondContact O-N 3.32Å; E104-F107 PolarHBondContact O-N 3.46Å; E104-L108 HydrophobicContact CG-CD1 3.99Å; E104-L108 WeakPolarHBondContact O-CG 3.21Å; E104-L108 PolarHBondContact O-N 3.43Å; E104-V143 HydrophobicContact CB-CG1 4.4Å; E104-L150 HydrophobicContact CB-CD2 4.05Å; E104-L150 HydrophobicContact CG-CD2 3.92Å; E104-L150 WeakPolarHBondContact OE1-CA 3.42Å; E104-L150 WeakPolarHBondContact OE1-CB 3.43Å; E104-Q151 VanDerWaalsContact CD-N 3.28Å; E104-Q151 PolarHBondContact OE1-N 3.32Å; E104-Q151 PolarHBondContact OE2-N 2.86Å; E104-Y152 HydrophobicContact CG-CD2 4.26Å; E104-Y152 WeakPolarHBondContact OE1-CA 3.45Å; E104-Y152 WeakPolarHBondContact OE1-CB 3.29Å; E104-Y152 PolarHBondContact OE1-N 3.48Å; E104-I156 HydrophobicContact CG-CD1 4.23Å
105T97.5Very high97.4Very high10 Ų1030.7 Ų30.76%0.06117%0.165CC..Hα-helixtrans-64.1-39.5179.2-46.30000112.5L42 I45 I49 T103 L108 Y109L42-T105 HydrophobicContact CB-CG2 4.19Å; L42-T105 VanDerWaalsContact O-CG2 3.31Å; L42-T105 WeakPolarHBondContact O-CG2 3.48Å; I45-T105 HydrophobicContact CD1-CG2 4.01Å; I45-T105 HydrophobicContact CG1-CG2 3.6Å; I49-T105 HydrophobicContact CD1-CG2 4.12Å; I49-T105 HydrophobicContact CG1-CG2 4.32Å; T103-T105 VanDerWaalsContact C-N 3.32Å; T103-T105 PolarHBondContact O-N 3.42Å; T105-L108 PolarHBondContact O-N 3.3Å; T105-Y109 WeakPolarHBondContact O-CB 3.32Å; T105-Y109 PolarHBondContact O-N 3.43Å
106Q98.1Very high97.4Very high20 Ų2031.8 Ų31.89%0.09317%0.173CC..Hα-helixtrans-62.8-43.5174-74.1158.1-14.800111.6L37 L42 Q100 V101 T103 E104 Y109 V110L37-Q106 HydrophobicContact CD2-CB 4.06Å; L37-Q106 HydrophobicContact CD2-CG 4.24Å; L37-Q106 PolarHBondContact O-NE2 3.47Å; L42-Q106 HydrophobicContact CD1-CB 4.33Å; L42-Q106 HydrophobicContact CD1-CG 3.67Å; Q100-Q106 PolarHBondContact O-OE1 3.16Å; V101-Q106 HydrophobicContact CB-CB 4.5Å; V101-Q106 HydrophobicContact CG1-CB 4.2Å; V101-Q106 HydrophobicContact CG2-CB 4.34Å; T103-Q106 PolarHBondContact O-N 3.3Å; T103-Q106 VanDerWaalsContact OG1-CG 3.23Å; T103-Q106 WeakPolarHBondContact OG1-CG 3.28Å; T103-Q106 PolarHBondContact OG1-N 3.04Å; T103-Q106 PolarHBondContact OG1-OE1 2.94Å; E104-Q106 PolarHBondContact O-N 3.32Å; Q106-Y109 PolarHBondContact O-N 3.23Å; Q106-V110 WeakPolarHBondContact O-CG2 3.47Å; Q106-V110 PolarHBondContact O-N 3.42Å
107F98.2Very high97.4Very high1 Ų130.5 Ų30.50%0.00416%0.163CC..Hα-helixtrans-62.5-46.6177.9171.7-98.9000111.9V101 T103 E104 Y109 V110 C111 V136 M139 L140 V143 I156V101-F107 HydrophobicContact CG1-CB 3.8Å; T103-F107 PolarHBondContact O-N 3.09Å; T103-F107 VanDerWaalsContact O-N 3.14Å; E104-F107 PolarHBondContact O-N 3.46Å; F107-Y109 VanDerWaalsContact C-N 3.32Å; F107-Y109 PolarHBondContact O-N 2.93Å; F107-V110 PolarHBondContact O-N 2.96Å; F107-V110 VanDerWaalsContact O-N 3.17Å; F107-C111 VanDerWaalsContact CE1-SG 3.55Å; F107-C111 VanDerWaalsContact CZ-SG 3.53Å; F107-C111 PolarHBondContact O-N 3.18Å; F107-C111 PolarHBondContact O-SG 2.83Å; F107-V136 HydrophobicContact CE2-CG1 3.86Å; F107-V136 WeakPolarHBondContact CE2-O 3.36Å; F107-V136 HydrophobicContact CZ-CG1 3.83Å; F107-M139 HydrophobicContact CD2-CB 3.9Å; F107-M139 HydrophobicContact CE2-CB 4.23Å; F107-L140 HydrophobicContact CD2-CB 4.49Å; F107-L140 HydrophobicContact CE1-CD1 4.38Å; F107-L140 HydrophobicContact CE2-CB 3.86Å; F107-L140 HydrophobicContact CZ-CB 3.98Å; F107-L140 HydrophobicContact CZ-CD1 4.43Å; F107-V143 HydrophobicContact CB-CG2 3.93Å; F107-I156 HydrophobicContact CD1-CD1 4.08Å; F107-I156 HydrophobicContact CD1-CG1 4.23Å; F107-I156 HydrophobicContact CE1-CB 4.38Å; F107-I156 HydrophobicContact CE1-CD1 4.09Å; F107-I156 HydrophobicContact CE1-CG1 3.88Å; F107-I156 HydrophobicContact CE1-CG2 3.75Å; F107-I156 HydrophobicContact CZ-CG2 4.28Å
108L98Very high97.3Very high7 Ų730.6 Ų30.64%0.03716%0.163CC..Hα-helixtrans-64-38.1177.7-71.4170.3000111.7I49 E104 T105 V110 C111 H112 Y152 L155 I156I49-L108 HydrophobicContact CD1-CB 4.05Å; I49-L108 HydrophobicContact CD1-CD1 3.28Å; I49-L108 HydrophobicContact CD1-CG 4.3Å; I49-L108 HydrophobicContact CG2-CB 4.19Å; E104-L108 HydrophobicContact CG-CD1 3.99Å; E104-L108 WeakPolarHBondContact O-CG 3.21Å; E104-L108 PolarHBondContact O-N 3.43Å; T105-L108 PolarHBondContact O-N 3.3Å; L108-V110 VanDerWaalsContact C-N 3.34Å; L108-V110 PolarHBondContact O-N 3.45Å; L108-C111 WeakPolarHBondContact O-CB 3.45Å; L108-C111 PolarHBondContact O-N 3.02Å; L108-C111 VanDerWaalsContact O-N 3.13Å; L108-H112 PolarHBondContact O-CD2 2.9Å; L108-H112 VanDerWaalsContact O-CD2 3.24Å; L108-H112 PolarHBondContact O-N 3.15Å; L108-Y152 HydrophobicContact CD1-CD2 3.62Å; L108-Y152 HydrophobicContact CD1-CE2 4.35Å; L108-Y152 HydrophobicContact CD1-CG 3.77Å; L108-L155 HydrophobicContact CD2-CD2 4.33Å; L108-I156 HydrophobicContact CD2-CD1 4.49Å; L108-I156 HydrophobicContact CD2-CG1 3.83Å
109Y98.3Very high97.3Very high0 Ų032.5 Ų32.50%018%0.176CC..Hα-helixtrans-59.6-43.2172.9-174.5-102000112.2L36 L37 L42 I45 L53 P67 L71 T105 Q106 F107 C111 H112 L113L36-Y109 HydrophobicContact CD2-CE1 3.78Å; L36-Y109 HydrophobicContact CD2-CE2 4.22Å; L36-Y109 WeakPolarHBondContact CD2-OH 3.34Å; L37-Y109 HydrophobicContact CD2-CD1 4.11Å; L42-Y109 HydrophobicContact CD1-CG 4.46Å; L42-Y109 HydrophobicContact CD2-CD1 4.36Å; L42-Y109 HydrophobicContact CD2-CD2 3.84Å; L42-Y109 HydrophobicContact CD2-CE2 4.31Å; L42-Y109 HydrophobicContact CD2-CG 3.88Å; I45-Y109 HydrophobicContact CD1-CD2 4.3Å; L53-Y109 HydrophobicContact CD1-CD2 3.84Å; L53-Y109 HydrophobicContact CD2-CD2 3.76Å; L53-Y109 HydrophobicContact CD2-CE2 3.75Å; L53-Y109 HydrophobicContact CG-CD2 4.47Å; P67-Y109 HydrophobicContact CB-CD2 4.46Å; P67-Y109 HydrophobicContact CB-CE2 3.9Å; P67-Y109 PolarHBondContact O-OH 3.33Å; P67-Y109 VanDerWaalsContact O-OH 3.11Å; L71-Y109 HydrophobicContact CB-CE2 4.16Å; L71-Y109 PolarHBondContact N-OH 3.47Å; T105-Y109 WeakPolarHBondContact O-CB 3.32Å; T105-Y109 PolarHBondContact O-N 3.43Å; Q106-Y109 PolarHBondContact O-N 3.23Å; F107-Y109 VanDerWaalsContact C-N 3.32Å; F107-Y109 PolarHBondContact O-N 2.93Å; Y109-C111 VanDerWaalsContact C-N 3.33Å; Y109-C111 PolarHBondContact O-N 3.28Å; Y109-H112 PolarHBondContact O-N 3.25Å; Y109-L113 HydrophobicContact CD1-CD1 3.75Å; Y109-L113 HydrophobicContact CD1-CG 4.35Å; Y109-L113 HydrophobicContact CE1-CD1 3.48Å; Y109-L113 VanDerWaalsContact CE1-CD1 3.48Å; Y109-L113 HydrophobicContact CE1-CD2 4.43Å; Y109-L113 HydrophobicContact CE1-CG 4.02Å; Y109-L113 WeakPolarHBondContact O-CG 3.18Å; Y109-L113 PolarHBondContact O-N 3.46Å
110V98.3Very high97.3Very high1 Ų129.4 Ų29.41%0.00616%0.155CC..Hα-helixtrans-63.3-38.2173.7173.60000111.8L37 M93 W97 V101 Q106 F107 L108 L113 T114 M139L37-V110 HydrophobicContact CD1-CG2 4.12Å; L37-V110 HydrophobicContact CD2-CG2 3.93Å; M93-V110 HydrophobicContact CE-CG1 3.93Å; W97-V110 HydrophobicContact CE3-CG1 4.11Å; W97-V110 HydrophobicContact CE3-CG2 4.23Å; W97-V110 HydrophobicContact CZ3-CG1 4.44Å; V101-V110 HydrophobicContact CG2-CG2 3.83Å; Q106-V110 WeakPolarHBondContact O-CG2 3.47Å; Q106-V110 PolarHBondContact O-N 3.42Å; F107-V110 PolarHBondContact O-N 2.96Å; F107-V110 VanDerWaalsContact O-N 3.17Å; L108-V110 VanDerWaalsContact C-N 3.34Å; L108-V110 PolarHBondContact O-N 3.45Å; V110-L113 WeakPolarHBondContact O-CB 3.36Å; V110-L113 PolarHBondContact O-N 3.41Å; V110-T114 HydrophobicContact CG1-CG2 4.3Å; V110-T114 WeakPolarHBondContact O-CB 3.48Å; V110-T114 VanDerWaalsContact O-CG2 3.28Å; V110-T114 WeakPolarHBondContact O-CG2 3.44Å; V110-T114 PolarHBondContact O-N 3.35Å; V110-T114 VanDerWaalsContact O-N 3.09Å; V110-T114 PolarHBondContact O-OG1 2.94Å; V110-M139 HydrophobicContact CB-SD 4.48Å; V110-M139 HydrophobicContact CG1-CE 4.41Å; V110-M139 HydrophobicContact CG1-SD 3.92Å; V110-M139 HydrophobicContact CG2-SD 4.46Å
111C98.1Very high97.2Very high8 Ų827 Ų275%0.05414%0.144CC..Hα-helixtrans-62.3-44.4174.2-630000111.1F107 L108 Y109 L113 T114 A115 F159F107-C111 VanDerWaalsContact CE1-SG 3.55Å; F107-C111 VanDerWaalsContact CZ-SG 3.53Å; F107-C111 PolarHBondContact O-N 3.18Å; F107-C111 PolarHBondContact O-SG 2.83Å; L108-C111 WeakPolarHBondContact O-CB 3.45Å; L108-C111 PolarHBondContact O-N 3.02Å; L108-C111 VanDerWaalsContact O-N 3.13Å; Y109-C111 VanDerWaalsContact C-N 3.33Å; Y109-C111 PolarHBondContact O-N 3.28Å; C111-L113 VanDerWaalsContact C-N 3.34Å; C111-L113 PolarHBondContact O-N 3Å; C111-T114 PolarHBondContact O-N 3.21Å; C111-T114 VanDerWaalsContact O-N 3.16Å; C111-T114 PolarHBondContact O-OG1 3.38Å; C111-A115 WeakPolarHBondContact O-CB 3.28Å; C111-A115 PolarHBondContact O-N 2.94Å; C111-F159 HydrophobicContact CB-CD1 4.03Å; C111-F159 HydrophobicContact CB-CE1 3.65Å; C111-F159 HydrophobicContact CB-CZ 4.22Å; C111-F159 VanDerWaalsContact SG-CE1 3.58Å
112H97.9Very high97Very high53 Ų5328.3 Ų28.325%0.24515%0.154CC..Hα-helixtrans-62.5-37175-84.4-81.9000113L53 L71 H75 L108 Y109 T114 P116L53-H112 HydrophobicContact CD1-CB 3.88Å; L71-H112 HydrophobicContact CD1-CB 4.31Å; L71-H112 HydrophobicContact CD2-CB 4.23Å; H75-H112 PolarHBondContact CE1-O 3.42Å; H75-H112 VanDerWaalsContact CE1-O 3.32Å; H75-H112 PolarHBondContact NE2-O 2.96Å; L108-H112 PolarHBondContact O-CD2 2.9Å; L108-H112 VanDerWaalsContact O-CD2 3.24Å; L108-H112 PolarHBondContact O-N 3.15Å; Y109-H112 PolarHBondContact O-N 3.25Å; H112-T114 VanDerWaalsContact C-N 3.31Å; H112-T114 PolarHBondContact O-N 3.19Å; H112-P116 WeakPolarHBondContact O-CD 3.42Å
113L97.7Very high96.8Very high0 Ų030.2 Ų30.20%016%0.164CC..Hα-helixtrans-61.7-40.9173.7-77.3165.4000111.8I33 L71 A74 H75 W78 W97 Y109 V110 C111I33-L113 HydrophobicContact CD1-CD2 4.32Å; I33-L113 HydrophobicContact CG2-CD1 3.89Å; L71-L113 HydrophobicContact CD1-CB 4.23Å; L71-L113 HydrophobicContact CD1-CD2 3.44Å; L71-L113 VanDerWaalsContact CD1-CD2 3.44Å; L71-L113 HydrophobicContact CD1-CG 3.7Å; A74-L113 HydrophobicContact CB-CD2 3.92Å; H75-L113 PolarHBondContact NE2-O 3.45Å; H75-L113 VanDerWaalsContact NE2-O 3.16Å; W78-L113 HydrophobicContact CH2-CB 4.22Å; W78-L113 HydrophobicContact CH2-CD2 3.7Å; W78-L113 HydrophobicContact CH2-CG 4.43Å; W78-L113 HydrophobicContact CZ3-CB 4.05Å; W78-L113 HydrophobicContact CZ3-CD2 3.73Å; W78-L113 HydrophobicContact CZ3-CG 4.49Å; W78-L113 WeakPolarHBondContact CZ3-O 2.93Å; W97-L113 HydrophobicContact CH2-CD1 4.03Å; W97-L113 HydrophobicContact CZ3-CD1 3.99Å; Y109-L113 HydrophobicContact CD1-CD1 3.75Å; Y109-L113 HydrophobicContact CD1-CG 4.35Å; Y109-L113 HydrophobicContact CE1-CD1 3.48Å; Y109-L113 VanDerWaalsContact CE1-CD1 3.48Å; Y109-L113 HydrophobicContact CE1-CD2 4.43Å; Y109-L113 HydrophobicContact CE1-CG 4.02Å; Y109-L113 WeakPolarHBondContact O-CG 3.18Å; Y109-L113 PolarHBondContact O-N 3.46Å; V110-L113 WeakPolarHBondContact O-CB 3.36Å; V110-L113 PolarHBondContact O-N 3.41Å; C111-L113 VanDerWaalsContact C-N 3.34Å; C111-L113 PolarHBondContact O-N 3Å
114T96.4Very high96.6Very high1 Ų130.7 Ų30.71%0.00616%0.162CC..Hα-helixtrans-100.7-30.1-162.855.30000113.8L89 M93 W97 V110 C111 H112 L117L89-T114 HydrophobicContact CD1-CG2 4.49Å; M93-T114 HydrophobicContact CE-CG2 3.63Å; M93-T114 HydrophobicContact CG-CG2 4.39Å; M93-T114 HydrophobicContact SD-CG2 3.32Å; M93-T114 WeakPolarHBondContact SD-CG2 3.5Å; W97-T114 HydrophobicContact CZ3-CG2 4.32Å; V110-T114 HydrophobicContact CG1-CG2 4.3Å; V110-T114 WeakPolarHBondContact O-CB 3.48Å; V110-T114 VanDerWaalsContact O-CG2 3.28Å; V110-T114 WeakPolarHBondContact O-CG2 3.44Å; V110-T114 PolarHBondContact O-N 3.35Å; V110-T114 VanDerWaalsContact O-N 3.09Å; V110-T114 PolarHBondContact O-OG1 2.94Å; C111-T114 PolarHBondContact O-N 3.21Å; C111-T114 VanDerWaalsContact O-N 3.16Å; C111-T114 PolarHBondContact O-OG1 3.38Å; H112-T114 VanDerWaalsContact C-N 3.31Å; H112-T114 PolarHBondContact O-N 3.19Å; T114-L117 WeakPolarHBondContact O-CB 3.49Å; T114-L117 PolarHBondContact O-N 3.11Å
115A96.7Very high96.1Very high36 Ų3637.3 Ų37.330%0.29819%0.187SC..G310 helixtrans-53.4-46.6-175.500000113.6C111 L117 L118 F159C111-A115 WeakPolarHBondContact O-CB 3.28Å; C111-A115 PolarHBondContact O-N 2.94Å; A115-L117 PolarHBondContact O-N 3.05Å; A115-L117 VanDerWaalsContact O-N 3.09Å; A115-L118 PolarHBondContact O-N 2.93Å; A115-F159 HydrophobicContact CB-CE2 3.5Å; A115-F159 VanDerWaalsContact CB-CE2 3.5Å; A115-F159 HydrophobicContact CB-CZ 3.78Å
116P96.2Very high95.7Very high82 Ų8241.1 Ų41.153%0.53221%0.214SC..G310 helixtrans-64.6-17.7-179.4-23.536.9000114.2H112H112-P116 WeakPolarHBondContact O-CD 3.42Å
117L96.1Very high95.5Very high11 Ų1147.5 Ų47.56%0.05824%0.241CC..G310 helixtrans-93.2-13.3-176.8-58.2177.9000113.1W78 L86 L89 T114 A115 L119 R120 L121W78-L117 HydrophobicContact CB-CD1 3.83Å; W78-L117 HydrophobicContact CB-CD2 3.86Å; W78-L117 HydrophobicContact CD2-CD1 3.79Å; W78-L117 HydrophobicContact CE3-CD1 3.48Å; W78-L117 VanDerWaalsContact CE3-CD1 3.48Å; W78-L117 HydrophobicContact CG-CD1 3.97Å; W78-L117 HydrophobicContact CZ3-CD1 4.23Å; L86-L117 HydrophobicContact CD2-CD1 4.48Å; L89-L117 HydrophobicContact CD2-CD1 3.26Å; T114-L117 WeakPolarHBondContact O-CB 3.49Å; T114-L117 PolarHBondContact O-N 3.11Å; A115-L117 PolarHBondContact O-N 3.05Å; A115-L117 VanDerWaalsContact O-N 3.09Å; L117-L119 PolarHBondContact O-N 3.25Å; L117-R120 PolarHBondContact O-N 2.9Å; L117-R120 VanDerWaalsContact O-N 3.14Å; L117-L121 HydrophobicContact CB-CD1 4.25Å; L117-L121 HydrophobicContact CB-CG 4.47Å; L117-L121 WeakPolarHBondContact O-CB 3.38Å; L117-L121 VanDerWaalsContact O-CG 3.3Å; L117-L121 WeakPolarHBondContact O-CG 3.4Å; L117-L121 PolarHBondContact O-N 2.74Å
118L96.4Very high95.4Very high1 Ų148.2 Ų48.21%0.00525%0.246CC..Hα-helixtrans-59.9-42.5-172.7-68.8171.9000113A115 R120 L121 S122 V132 F159 I163 F167A115-L118 PolarHBondContact O-N 2.93Å; L118-R120 VanDerWaalsContact C-N 3.33Å; L118-R120 PolarHBondContact O-N 3.28Å; L118-L121 PolarHBondContact O-N 3.34Å; L118-S122 WeakPolarHBondContact O-CB 3.48Å; L118-S122 PolarHBondContact O-N 3.1Å; L118-S122 PolarHBondContact O-OG 3.23Å; L118-V132 HydrophobicContact CD2-CG1 3.78Å; L118-F159 HydrophobicContact CD1-CE2 4.06Å; L118-F159 HydrophobicContact CD1-CZ 4.06Å; L118-I163 HydrophobicContact CD1-CD1 4.25Å; L118-I163 HydrophobicContact CD1-CG1 3.71Å; L118-F167 HydrophobicContact CB-CD1 4.46Å; L118-F167 HydrophobicContact CB-CD2 3.69Å; L118-F167 HydrophobicContact CB-CE1 4.3Å; L118-F167 HydrophobicContact CB-CE2 3.52Å; L118-F167 HydrophobicContact CB-CG 4.19Å; L118-F167 HydrophobicContact CB-CZ 3.84Å; L118-F167 HydrophobicContact CD1-CD2 3.92Å; L118-F167 HydrophobicContact CD1-CE2 3.67Å; L118-F167 HydrophobicContact CG-CD2 4.36Å; L118-F167 HydrophobicContact CG-CE2 4.25Å
119L96Very high95.2Very high95 Ų9547.9 Ų47.950%0.49725%0.245SC..Hα-helixtrans-60.3-44.8176.8178.662.6000111.5L117 S122 Q123 F167L117-L119 PolarHBondContact O-N 3.25Å; L119-S122 PolarHBondContact O-N 2.67Å; L119-S122 PolarHBondContact O-OG 3.12Å; L119-Q123 HydrophobicContact CD1-CG 4.38Å; L119-Q123 WeakPolarHBondContact O-CB 3.33Å; L119-Q123 VanDerWaalsContact O-CG 3.3Å; L119-Q123 WeakPolarHBondContact O-CG 3.29Å; L119-Q123 PolarHBondContact O-N 3.25Å; L119-Q123 VanDerWaalsContact O-N 3.12Å; L119-F167 HydrophobicContact CB-CE1 3.98Å; L119-F167 HydrophobicContact CD1-CE1 4.23Å
120R95.5Very high95.1Very high57 Ų5750.3 Ų50.322%0.21525%0.254CS..Hα-helixtrans-67-43.5179.7-174.6176.9177.5-155-10.7111.1W78 C79 S81 L86 L117 L118 S122 Q123 E124W78-R120 PolarHBondContact O-NH1 3.1Å; C79-R120 PolarHBondContact O-NH1 3.12Å; S81-R120 VanDerWaalsContact O-CZ 3.25Å; S81-R120 PolarHBondContact O-NH1 3.31Å; S81-R120 PolarHBondContact O-NH2 3.41Å; L86-R120 HydrophobicContact CD1-CG 4.35Å; L117-R120 PolarHBondContact O-N 2.9Å; L117-R120 VanDerWaalsContact O-N 3.14Å; L118-R120 VanDerWaalsContact C-N 3.33Å; L118-R120 PolarHBondContact O-N 3.28Å; R120-S122 VanDerWaalsContact C-N 3.34Å; R120-S122 PolarHBondContact O-N 2.94Å; R120-Q123 PolarHBondContact O-N 3.24Å; R120-E124 HydrophobicContact CG-CG 4.27Å; R120-E124 WeakPolarHBondContact CG-OE1 3.48Å; R120-E124 IonicContact CZ-OE1 3.41Å; R120-E124 IonicContact NE-OE1 2.73Å; R120-E124 PolarHBondContact NE-OE1 3.4Å; R120-E124 IonicContact NE-OE2 3.76Å; R120-E124 IonicContact NH2-OE1 3.18Å; R120-E124 PolarHBondContact NH2-OE1 2.92Å; R120-E124 IonicContact NH2-OE2 3.52Å; R120-E124 WeakPolarHBondContact O-CB 3.49Å; R120-E124 WeakPolarHBondContact O-CG 3.5Å; R120-E124 PolarHBondContact O-N 3.12Å
121L95.3Very high95Very high5 Ų551.8 Ų51.83%0.02626%0.262CS..Hα-helixtrans-62.4-41.7177-69.6172.9000111.4L86 L117 L118 R125 C128 C129 V132L86-L121 HydrophobicContact CB-CD2 4.05Å; L86-L121 HydrophobicContact CD1-CD2 4.01Å; L117-L121 HydrophobicContact CB-CD1 4.25Å; L117-L121 HydrophobicContact CB-CG 4.47Å; L117-L121 WeakPolarHBondContact O-CB 3.38Å; L117-L121 VanDerWaalsContact O-CG 3.3Å; L117-L121 WeakPolarHBondContact O-CG 3.4Å; L117-L121 PolarHBondContact O-N 2.74Å; L118-L121 PolarHBondContact O-N 3.34Å; L121-R125 CarbonylContact O-C 2.94Å; L121-R125 WeakPolarHBondContact O-CA 3.38Å; L121-R125 PolarHBondContact O-N 3.43Å; L121-C128 HydrophobicContact CD2-CB 4.04Å; L121-C129 HydrophobicContact CB-CB 3.99Å; L121-V132 HydrophobicContact CD1-CG2 3.94Å
122S94.1Very high95Very high30 Ų3051.5 Ų51.521%0.2126%0.26CS..Hα-helixtrans-66.4-38.3179.971.80000112L118 L119 R120L118-S122 WeakPolarHBondContact O-CB 3.48Å; L118-S122 PolarHBondContact O-N 3.1Å; L118-S122 PolarHBondContact O-OG 3.23Å; L119-S122 PolarHBondContact O-N 2.67Å; L119-S122 PolarHBondContact O-OG 3.12Å; R120-S122 VanDerWaalsContact C-N 3.34Å; R120-S122 PolarHBondContact O-N 2.94Å
123Q93.5Very high94.9Very high146 Ų14649 Ų4968%0.68225%0.248SC*.Hα-helixtrans-74.7-44.8179.1-71176.8-17.200113.4L119 R120L119-Q123 HydrophobicContact CD1-CG 4.38Å; L119-Q123 WeakPolarHBondContact O-CB 3.33Å; L119-Q123 VanDerWaalsContact O-CG 3.3Å; L119-Q123 WeakPolarHBondContact O-CG 3.29Å; L119-Q123 PolarHBondContact O-N 3.25Å; L119-Q123 VanDerWaalsContact O-N 3.12Å; R120-Q123 PolarHBondContact O-N 3.24Å
124E92.1Very high94.8Very high69 Ų6950.6 Ų50.632%0.32226%0.256SS..Hα-helixtrans-83.1-38.9-175-66.8-174.8-166.800112.7T83 R120T83-E124 HydrophobicContact CG2-CB 4.31Å; T83-E124 PolarHBondContact OG1-OE2 3.38Å; R120-E124 HydrophobicContact CG-CG 4.27Å; R120-E124 WeakPolarHBondContact CG-OE1 3.48Å; R120-E124 IonicContact CZ-OE1 3.41Å; R120-E124 IonicContact NE-OE1 2.73Å; R120-E124 PolarHBondContact NE-OE1 3.4Å; R120-E124 IonicContact NE-OE2 3.76Å; R120-E124 IonicContact NH2-OE1 3.18Å; R120-E124 PolarHBondContact NH2-OE1 2.92Å; R120-E124 IonicContact NH2-OE2 3.52Å; R120-E124 WeakPolarHBondContact O-CB 3.49Å; R120-E124 WeakPolarHBondContact O-CG 3.5Å; R120-E124 PolarHBondContact O-N 3.12Å
125R87.6Confident94.8Very high150 Ų15050.5 Ų50.557%0.56626%0.256SS*.  trans-152.783-174.3-69.1-65.1-173.9-135.43.3110.8T83 L121 K127 C128 C129T83-R125 HydrophobicContact CG2-CB 4.43Å; T83-R125 HydrophobicContact CG2-CG 3.25Å; L121-R125 CarbonylContact O-C 2.94Å; L121-R125 WeakPolarHBondContact O-CA 3.38Å; L121-R125 PolarHBondContact O-N 3.43Å; R125-K127 PolarHBondContact O-N 3.17Å; R125-C128 HydrophobicContact CB-CB 3.87Å; R125-C128 WeakPolarHBondContact O-CA 3.48Å; R125-C128 VanDerWaalsContact O-CB 3.29Å; R125-C128 WeakPolarHBondContact O-CB 3.4Å; R125-C128 PolarHBondContact O-N 3.43Å; R125-C129 PolarHBondContact O-N 3.07Å
126S90Very high94.9Very high91 Ų9148.9 Ų48.964%0.63624%0.242SC*.Hα-helixtrans-48-37.6178.959.20000114.3C128 C129 Y130S126-C128 VanDerWaalsContact C-N 3.34Å; S126-C128 PolarHBondContact O-N 3.49Å; S126-C129 WeakPolarHBondContact O-CB 3.49Å; S126-C129 PolarHBondContact O-N 2.85Å; S126-Y130 WeakPolarHBondContact O-CB 3.47Å; S126-Y130 PolarHBondContact O-N 2.62Å
127K93.7Very high95Very high154 Ų15445.2 Ų45.267%0.6722%0.218SC*.Hα-helixtrans-60.4-37.6173.8-176.2173.7-178.8173.60113.6R125 Y130 D131R125-K127 PolarHBondContact O-N 3.17Å; K127-Y130 WeakPolarHBondContact O-CB 3.44Å; K127-Y130 PolarHBondContact O-N 3.44Å; K127-D131 WeakPolarHBondContact O-CB 3.26Å; K127-D131 PolarHBondContact O-N 3.36Å
128C94.7Very high95Very high16 Ų1647.1 Ų47.111%0.10823%0.227CC..Hα-helixtrans-66.9-42.2175.4-70.90000111V90 L121 R125 S126 Y130 D131 V132V90-C128 HydrophobicContact CG2-CB 3.94Å; L121-C128 HydrophobicContact CD2-CB 4.04Å; R125-C128 HydrophobicContact CB-CB 3.87Å; R125-C128 WeakPolarHBondContact O-CA 3.48Å; R125-C128 VanDerWaalsContact O-CB 3.29Å; R125-C128 WeakPolarHBondContact O-CB 3.4Å; R125-C128 PolarHBondContact O-N 3.43Å; S126-C128 VanDerWaalsContact C-N 3.34Å; S126-C128 PolarHBondContact O-N 3.49Å; C128-Y130 VanDerWaalsContact C-N 3.32Å; C128-Y130 PolarHBondContact O-N 3.47Å; C128-D131 PolarHBondContact O-N 2.9Å; C128-V132 WeakPolarHBondContact O-CG2 3.18Å; C128-V132 PolarHBondContact O-N 2.85Å
129C95.5Very high95.1Very high0 Ų047.1 Ų47.10%023%0.226CC..Hα-helixtrans-62-41.9174.6-166.60000111.7L121 R125 S126 V132 G133 L168L121-C129 HydrophobicContact CB-CB 3.99Å; R125-C129 PolarHBondContact O-N 3.07Å; S126-C129 WeakPolarHBondContact O-CB 3.49Å; S126-C129 PolarHBondContact O-N 2.85Å; C129-V132 PolarHBondContact O-N 3.35Å; C129-G133 PolarHBondContact O-N 2.87Å; C129-L168 HydrophobicContact CB-CD2 4.11Å
130Y95.9Very high95.2Very high51 Ų5142.6 Ų42.620%0.220%0.203CC..Hα-helixtrans-59-49.6174.8-179.5-89.4000111.9S126 K127 C128 V132 G133 I134 S171 M172 E175S126-Y130 WeakPolarHBondContact O-CB 3.47Å; S126-Y130 PolarHBondContact O-N 2.62Å; K127-Y130 WeakPolarHBondContact O-CB 3.44Å; K127-Y130 PolarHBondContact O-N 3.44Å; C128-Y130 VanDerWaalsContact C-N 3.32Å; C128-Y130 PolarHBondContact O-N 3.47Å; Y130-V132 VanDerWaalsContact C-N 3.31Å; Y130-V132 PolarHBondContact O-N 3.14Å; Y130-G133 WeakPolarHBondContact O-CA 3.31Å; Y130-G133 PolarHBondContact O-N 3.11Å; Y130-G133 VanDerWaalsContact O-N 3.11Å; Y130-I134 HydrophobicContact CD1-CD1 3.85Å; Y130-I134 HydrophobicContact CD1-CG1 4.47Å; Y130-I134 HydrophobicContact CE1-CD1 3.2Å; Y130-I134 HydrophobicContact CE1-CG1 4.13Å; Y130-I134 PolarHBondContact O-N 3.38Å; Y130-S171 WeakPolarHBondContact CE2-O 3.35Å; Y130-M172 HydrophobicContact CD2-CG 3.46Å; Y130-M172 VanDerWaalsContact CD2-CG 3.46Å; Y130-M172 HydrophobicContact CD2-SD 4.37Å; Y130-M172 HydrophobicContact CE2-CB 4.19Å; Y130-M172 HydrophobicContact CE2-CG 3.35Å; Y130-M172 HydrophobicContact CG-CG 4.31Å; Y130-E175 PolarHBondContact OH-OE1 2.99Å; Y130-E175 PolarHBondContact OH-OE2 2.94Å
131D96.1Very high95.3Very high32 Ų3243.1 Ų43.117%0.17121%0.205CC..Hα-helixtrans-60.6-38.5178.1-88.7-1.6000112.5V90 K94 K127 C128 A135V90-D131 HydrophobicContact CG1-CB 3.59Å; K94-D131 HydrophobicContact CD-CB 4.1Å; K94-D131 VanDerWaalsContact NZ-CG 3.3Å; K94-D131 IonicContact NZ-OD1 3.53Å; K94-D131 IonicContact NZ-OD2 2.78Å; K94-D131 PolarHBondContact NZ-OD2 3.11Å; K127-D131 WeakPolarHBondContact O-CB 3.26Å; K127-D131 PolarHBondContact O-N 3.36Å; C128-D131 PolarHBondContact O-N 2.9Å; D131-A135 WeakPolarHBondContact O-CB 3.45Å; D131-A135 PolarHBondContact O-N 3.32Å
132V96.6Very high95.4Very high1 Ų145.5 Ų45.51%0.00622%0.218CC..Hα-helixtrans-64.3-45.5172.9168.10000110.6V90 M93 L118 L121 C128 C129 Y130 I134 A135 V136V90-V132 HydrophobicContact CG1-CG2 4.38Å; V90-V132 HydrophobicContact CG2-CG2 3.86Å; M93-V132 HydrophobicContact CE-CG1 3.96Å; M93-V132 HydrophobicContact SD-CB 4.41Å; M93-V132 HydrophobicContact SD-CG1 4.01Å; M93-V132 HydrophobicContact SD-CG2 3.84Å; L118-V132 HydrophobicContact CD2-CG1 3.78Å; L121-V132 HydrophobicContact CD1-CG2 3.94Å; C128-V132 WeakPolarHBondContact O-CG2 3.18Å; C128-V132 PolarHBondContact O-N 2.85Å; C129-V132 PolarHBondContact O-N 3.35Å; Y130-V132 VanDerWaalsContact C-N 3.31Å; Y130-V132 PolarHBondContact O-N 3.14Å; V132-I134 PolarHBondContact O-N 3.45Å; V132-A135 PolarHBondContact O-N 3.2Å; V132-A135 VanDerWaalsContact O-N 3.17Å; V132-V136 HydrophobicContact CG1-CG2 4.41Å; V132-V136 WeakPolarHBondContact O-CG2 3.39Å; V132-V136 PolarHBondContact O-N 3.28Å
133G96.4Very high95.6Very high0 Ų044 Ų440%021%0.208CC..Hα-helixtrans-54.2-52.3176.300000111.8C129 Y130 A135 V136 Y137C129-G133 PolarHBondContact O-N 2.87Å; Y130-G133 WeakPolarHBondContact O-CA 3.31Å; Y130-G133 PolarHBondContact O-N 3.11Å; Y130-G133 VanDerWaalsContact O-N 3.11Å; G133-A135 VanDerWaalsContact C-N 3.34Å; G133-A135 PolarHBondContact O-N 3.49Å; G133-V136 PolarHBondContact O-N 3.4Å; G133-Y137 VanDerWaalsContact O-CD2 3.28Å; G133-Y137 WeakPolarHBondContact O-CD2 3.3Å; G133-Y137 PolarHBondContact O-N 2.87Å
134I96.1Very high95.8Very high34 Ų3437.4 Ų37.417%0.17418%0.177CC..Hα-helixtrans-57.2-47.5176.2-68.7-180000111.2Y130 V132 V136 Y137 E138 M172 E175Y130-I134 HydrophobicContact CD1-CD1 3.85Å; Y130-I134 HydrophobicContact CD1-CG1 4.47Å; Y130-I134 HydrophobicContact CE1-CD1 3.2Å; Y130-I134 HydrophobicContact CE1-CG1 4.13Å; Y130-I134 PolarHBondContact O-N 3.38Å; V132-I134 PolarHBondContact O-N 3.45Å; I134-V136 VanDerWaalsContact C-N 3.26Å; I134-V136 PolarHBondContact O-N 3.23Å; I134-Y137 PolarHBondContact O-N 3.5Å; I134-Y137 VanDerWaalsContact O-N 3.14Å; I134-E138 HydrophobicContact CG2-CG 4.14Å; I134-E138 WeakPolarHBondContact O-CG 3.36Å; I134-E138 PolarHBondContact O-N 3.3Å; I134-M172 HydrophobicContact CG1-SD 3.88Å; I134-E175 HydrophobicContact CD1-CB 4.4Å; I134-E175 HydrophobicContact CD1-CG 3.9Å; I134-E175 HydrophobicContact CG1-CB 4.36Å; I134-E175 HydrophobicContact CG1-CG 4.39Å
135A97.1Very high96Very high0 Ų039.1 Ų39.10%018%0.183CC..Hα-helixtrans-59.7-38-178.500000112.1M93 K94 D131 V132 G133 E138 M139M93-A135 HydrophobicContact CB-CB 4.27Å; M93-A135 HydrophobicContact CE-CB 4.29Å; K94-A135 HydrophobicContact CG-CB 4.35Å; D131-A135 WeakPolarHBondContact O-CB 3.45Å; D131-A135 PolarHBondContact O-N 3.32Å; V132-A135 PolarHBondContact O-N 3.2Å; V132-A135 VanDerWaalsContact O-N 3.17Å; G133-A135 VanDerWaalsContact C-N 3.34Å; G133-A135 PolarHBondContact O-N 3.49Å; A135-E138 PolarHBondContact O-N 3.22Å; A135-M139 HydrophobicContact CB-CE 4.3Å; A135-M139 WeakPolarHBondContact O-CB 3.5Å; A135-M139 VanDerWaalsContact O-CG 3.27Å; A135-M139 WeakPolarHBondContact O-CG 3.46Å; A135-M139 PolarHBondContact O-N 3.46Å
136V98Very high96.5Very high2 Ų238.2 Ų38.21%0.01219%0.186CC..Hα-helixtrans-62.3-48.1174.8172.30000110.8M93 F107 V132 G133 I134 E138 M139 L140 F159 L160 I163M93-V136 HydrophobicContact CE-CG2 4.11Å; F107-V136 HydrophobicContact CE2-CG1 3.86Å; F107-V136 WeakPolarHBondContact CE2-O 3.36Å; F107-V136 HydrophobicContact CZ-CG1 3.83Å; V132-V136 HydrophobicContact CG1-CG2 4.41Å; V132-V136 WeakPolarHBondContact O-CG2 3.39Å; V132-V136 PolarHBondContact O-N 3.28Å; G133-V136 PolarHBondContact O-N 3.4Å; I134-V136 VanDerWaalsContact C-N 3.26Å; I134-V136 PolarHBondContact O-N 3.23Å; V136-E138 PolarHBondContact O-N 3.17Å; V136-M139 PolarHBondContact O-N 3.45Å; V136-L140 PolarHBondContact O-N 2.7Å; V136-F159 HydrophobicContact CG1-CE1 4.44Å; V136-L160 HydrophobicContact CG1-CD2 3.69Å; V136-I163 HydrophobicContact CG1-CD1 4.43Å
137Y97.3Very high96.8Very high5 Ų535.4 Ų35.42%0.0216%0.164CC..Hα-helixtrans-62.2-42177.4-81.7-83.6000112.8G133 I134 M139 L140 Y141 L160 M172 T176 V179 I180 I194G133-Y137 VanDerWaalsContact O-CD2 3.28Å; G133-Y137 WeakPolarHBondContact O-CD2 3.3Å; G133-Y137 PolarHBondContact O-N 2.87Å; I134-Y137 PolarHBondContact O-N 3.5Å; I134-Y137 VanDerWaalsContact O-N 3.14Å; Y137-M139 VanDerWaalsContact C-N 3.35Å; Y137-M139 PolarHBondContact O-N 2.85Å; Y137-L140 PolarHBondContact O-N 3.31Å; Y137-Y141 PolarHBondContact O-N 2.94Å; Y137-L160 HydrophobicContact CD1-CD1 4.39Å; Y137-L160 HydrophobicContact CD2-CD2 4.48Å; Y137-L160 HydrophobicContact CE1-CD1 3.8Å; Y137-L160 HydrophobicContact CE1-CD2 4.21Å; Y137-L160 HydrophobicContact CE1-CG 4.48Å; Y137-L160 HydrophobicContact CE2-CD2 4.01Å; Y137-M172 HydrophobicContact CD2-CE 4.1Å; Y137-M172 HydrophobicContact CE2-CE 3.74Å; Y137-T176 HydrophobicContact CD1-CG2 4.39Å; Y137-T176 HydrophobicContact CD2-CG2 3.89Å; Y137-T176 HydrophobicContact CE1-CG2 4.02Å; Y137-T176 HydrophobicContact CE2-CG2 3.5Å; Y137-T176 HydrophobicContact CG-CG2 4.34Å; Y137-V179 HydrophobicContact CD1-CG1 4.42Å; Y137-I180 HydrophobicContact CE1-CD1 4.19Å; Y137-I180 HydrophobicContact CE1-CG1 4.24Å; Y137-I194 HydrophobicContact CE1-CD1 4.49Å; Y137-I194 WeakPolarHBondContact OH-CD1 3.23Å
138E96.9Very high97Very high51 Ų5132.9 Ų32.924%0.23817%0.173CC..Hα-helixtrans-63.9-39.5177.5-70-175.5157.300112.1K98 I134 A135 V136 Y141 N142K98-E138 HydrophobicContact CD-CB 3.93Å; K98-E138 VanDerWaalsContact CD-OE2 3.26Å; K98-E138 WeakPolarHBondContact CD-OE2 3.34Å; K98-E138 IonicContact NZ-OE2 2.66Å; K98-E138 PolarHBondContact NZ-OE2 2.94Å; I134-E138 HydrophobicContact CG2-CG 4.14Å; I134-E138 WeakPolarHBondContact O-CG 3.36Å; I134-E138 PolarHBondContact O-N 3.3Å; A135-E138 PolarHBondContact O-N 3.22Å; V136-E138 PolarHBondContact O-N 3.17Å; E138-Y141 WeakPolarHBondContact O-CB 3.38Å; E138-Y141 PolarHBondContact O-N 3.14Å; E138-N142 VanDerWaalsContact O-CG 3.27Å; E138-N142 PolarHBondContact O-N 3.37Å; E138-N142 PolarHBondContact O-OD1 3.45Å
139M98.1Very high97Very high0 Ų039 Ų390%020%0.2CC..Hα-helixtrans-67.3-41.1174.9-71.2-179.1-151.200111.8M93 W97 K98 V101 F107 V110 A135 V136 Y137 Y141 N142 V143M93-M139 HydrophobicContact CB-CE 4.17Å; M93-M139 HydrophobicContact CE-CE 4.29Å; M93-M139 WeakPolarHBondContact O-CE 3.47Å; W97-M139 HydrophobicContact CB-CE 4.22Å; K98-M139 HydrophobicContact CB-CE 4Å; K98-M139 HydrophobicContact CB-CG 4.22Å; K98-M139 HydrophobicContact CG-CG 4.13Å; V101-M139 HydrophobicContact CB-CB 4.46Å; V101-M139 HydrophobicContact CB-CG 4.29Å; V101-M139 HydrophobicContact CB-SD 4.27Å; V101-M139 HydrophobicContact CG1-CB 4.11Å; V101-M139 HydrophobicContact CG1-CG 4.45Å; V101-M139 HydrophobicContact CG2-SD 3.88Å; F107-M139 HydrophobicContact CD2-CB 3.9Å; F107-M139 HydrophobicContact CE2-CB 4.23Å; V110-M139 HydrophobicContact CB-SD 4.48Å; V110-M139 HydrophobicContact CG1-CE 4.41Å; V110-M139 HydrophobicContact CG1-SD 3.92Å; V110-M139 HydrophobicContact CG2-SD 4.46Å; A135-M139 HydrophobicContact CB-CE 4.3Å; A135-M139 WeakPolarHBondContact O-CB 3.5Å; A135-M139 VanDerWaalsContact O-CG 3.27Å; A135-M139 WeakPolarHBondContact O-CG 3.46Å; A135-M139 PolarHBondContact O-N 3.46Å; V136-M139 PolarHBondContact O-N 3.45Å; Y137-M139 VanDerWaalsContact C-N 3.35Å; Y137-M139 PolarHBondContact O-N 2.85Å; M139-Y141 VanDerWaalsContact C-N 3.3Å; M139-Y141 PolarHBondContact O-N 3.45Å; M139-N142 WeakPolarHBondContact O-CB 3.41Å; M139-N142 PolarHBondContact O-N 3.39Å; M139-V143 WeakPolarHBondContact O-CG2 3.31Å; M139-V143 PolarHBondContact O-N 3.05Å
140L98.3Very high97.1Very high0 Ų039.5 Ų39.50%020%0.202CC..Hα-helixtrans-59.7-43.8174.5176.959.7000111F107 V136 Y137 N142 V143 D144 I156 L160 L183 L187F107-L140 HydrophobicContact CD2-CB 4.49Å; F107-L140 HydrophobicContact CE1-CD1 4.38Å; F107-L140 HydrophobicContact CE2-CB 3.86Å; F107-L140 HydrophobicContact CZ-CB 3.98Å; F107-L140 HydrophobicContact CZ-CD1 4.43Å; V136-L140 PolarHBondContact O-N 2.7Å; Y137-L140 PolarHBondContact O-N 3.31Å; L140-N142 VanDerWaalsContact C-N 3.33Å; L140-N142 PolarHBondContact O-N 2.87Å; L140-V143 PolarHBondContact O-N 2.97Å; L140-D144 WeakPolarHBondContact O-CB 3.41Å; L140-D144 PolarHBondContact O-N 3.27Å; L140-I156 HydrophobicContact CD1-CD1 4.47Å; L140-I156 HydrophobicContact CD1-CG2 3.93Å; L140-I156 HydrophobicContact CD2-CG2 3.92Å; L140-L160 HydrophobicContact CD2-CD1 3.62Å; L140-L183 HydrophobicContact CD2-CD1 4.2Å; L140-L183 HydrophobicContact CG-CD2 4.48Å; L140-L187 HydrophobicContact CD1-CD1 4.29Å; L140-L187 HydrophobicContact CD2-CD1 4.46Å; L140-L187 HydrophobicContact CG-CD1 4.48Å
141Y97.8Very high97.1Very high69 Ų6942.7 Ų42.727%0.27122%0.219SC..Hα-helixtrans-57.5-46.3174.5174.2-97.7000111.9Y137 E138 M139 V143 D144 K145 Q182 L183Y137-Y141 PolarHBondContact O-N 2.94Å; E138-Y141 WeakPolarHBondContact O-CB 3.38Å; E138-Y141 PolarHBondContact O-N 3.14Å; M139-Y141 VanDerWaalsContact C-N 3.3Å; M139-Y141 PolarHBondContact O-N 3.45Å; Y141-V143 VanDerWaalsContact C-N 3.34Å; Y141-V143 PolarHBondContact O-N 2.93Å; Y141-D144 PolarHBondContact O-N 3.5Å; Y141-K145 HydrophobicContact CE1-CG 4.31Å; Y141-K145 HydrophobicContact CE2-CD 4.37Å; Y141-K145 HydrophobicContact CE2-CG 4.14Å; Y141-K145 WeakPolarHBondContact O-CG 3.3Å; Y141-K145 PolarHBondContact O-N 3.32Å; Y141-Q182 HydrophobicContact CD2-CB 4.15Å; Y141-Q182 HydrophobicContact CE2-CB 3.65Å; Y141-L183 HydrophobicContact CD2-CD2 4.16Å
142N97.1Very high97.2Very high54 Ų5443.7 Ų43.729%0.28922%0.221SC..Hα-helixtrans-60-45177.8-69-15.6000111.8E138 M139 L140 K145 Q146E138-N142 VanDerWaalsContact O-CG 3.27Å; E138-N142 PolarHBondContact O-N 3.37Å; E138-N142 PolarHBondContact O-OD1 3.45Å; M139-N142 WeakPolarHBondContact O-CB 3.41Å; M139-N142 PolarHBondContact O-N 3.39Å; L140-N142 VanDerWaalsContact C-N 3.33Å; L140-N142 PolarHBondContact O-N 2.87Å; N142-K145 PolarHBondContact O-N 3.24Å; N142-Q146 WeakPolarHBondContact O-CG 3.5Å; N142-Q146 PolarHBondContact O-N 3.48Å
143V98.2Very high97.2Very high0 Ų044.5 Ų44.50%023%0.225CC..Hα-helixtrans-63.7-46.5177.6174.20000111.1V101 T103 E104 F107 M139 L140 Y141 K145 Q146 V147 L150V101-V143 HydrophobicContact CG1-CG2 3.67Å; T103-V143 WeakPolarHBondContact O-CG2 3.32Å; E104-V143 HydrophobicContact CB-CG1 4.4Å; F107-V143 HydrophobicContact CB-CG2 3.93Å; M139-V143 WeakPolarHBondContact O-CG2 3.31Å; M139-V143 PolarHBondContact O-N 3.05Å; L140-V143 PolarHBondContact O-N 2.97Å; Y141-V143 VanDerWaalsContact C-N 3.34Å; Y141-V143 PolarHBondContact O-N 2.93Å; V143-K145 PolarHBondContact O-N 2.98Å; V143-K145 VanDerWaalsContact O-N 3.1Å; V143-Q146 PolarHBondContact O-N 2.88Å; V143-V147 HydrophobicContact CG1-CG1 3.92Å; V143-V147 HydrophobicContact CG1-CG2 4.05Å; V143-V147 WeakPolarHBondContact O-CG2 3.48Å; V143-V147 PolarHBondContact O-N 3.37Å; V143-L150 HydrophobicContact CG1-CD2 3.94Å
144D98.2Very high97.2Very high7 Ų749.3 Ų49.34%0.03725%0.25CC..Hα-helixtrans-52.4-35.4179.1176.772.2000112.6L140 Y141 L183 R184 L187L140-D144 WeakPolarHBondContact O-CB 3.41Å; L140-D144 PolarHBondContact O-N 3.27Å; Y141-D144 PolarHBondContact O-N 3.5Å; D144-L183 HydrophobicContact CB-CD2 3.87Å; D144-L183 WeakPolarHBondContact OD2-CA 3.11Å; D144-R184 PolarHBondContact O-NH2 3.1Å; D144-R184 WeakPolarHBondContact OD1-CB 3.31Å; D144-R184 WeakPolarHBondContact OD1-CD 3.31Å; D144-R184 WeakPolarHBondContact OD1-CG 3.4Å; D144-R184 IonicContact OD1-CZ 3.32Å; D144-R184 PolarHBondContact OD1-N 3.47Å; D144-R184 IonicContact OD1-NE 2.62Å; D144-R184 PolarHBondContact OD1-NE 3.26Å; D144-R184 IonicContact OD1-NH2 3.5Å; D144-R184 PolarHBondContact OD2-N 3.14Å; D144-L187 HydrophobicContact CB-CD1 4.5Å
145K97.3Very high97.3Very high104 Ų10451.2 Ų51.245%0.45226%0.26SS..Hα-helixtrans-82.6-18.9178.4-59.2-51.6168.6-146.70115Y141 N142 V143 Q182Y141-K145 HydrophobicContact CE1-CG 4.31Å; Y141-K145 HydrophobicContact CE2-CD 4.37Å; Y141-K145 HydrophobicContact CE2-CG 4.14Å; Y141-K145 WeakPolarHBondContact O-CG 3.3Å; Y141-K145 PolarHBondContact O-N 3.32Å; N142-K145 PolarHBondContact O-N 3.24Å; V143-K145 PolarHBondContact O-N 2.98Å; V143-K145 VanDerWaalsContact O-N 3.1Å; K145-Q182 WeakPolarHBondContact CE-O 3.44Å; K145-Q182 PolarHBondContact NZ-O 2.97Å
146Q97.1Very high97.3Very high132 Ų13251.3 Ų51.362%0.61726%0.261SS*.Hα-helixtrans-98.8-29.4-175.8-66.7-71.9-11.200112.3K102 N142 V143K102-Q146 HydrophobicContact CB-CG 4.32Å; K102-Q146 VanDerWaalsContact O-CB 3.3Å; K102-Q146 WeakPolarHBondContact O-CB 3.41Å; N142-Q146 WeakPolarHBondContact O-CG 3.5Å; N142-Q146 PolarHBondContact O-N 3.48Å; V143-Q146 PolarHBondContact O-N 2.88Å
147V97.2Very high97.3Very high31 Ų3151.3 Ų51.319%0.18826%0.261CS..  trans-100.4141.5-176.3-52.60000111.9V143 E149 L150 R184V143-V147 HydrophobicContact CG1-CG1 3.92Å; V143-V147 HydrophobicContact CG1-CG2 4.05Å; V143-V147 WeakPolarHBondContact O-CG2 3.48Å; V143-V147 PolarHBondContact O-N 3.37Å; V147-E149 WeakPolarHBondContact CG2-O 3.49Å; V147-L150 HydrophobicContact CG2-CD2 3.73Å; V147-L150 HydrophobicContact CG2-CG 4.03Å; V147-R184 PolarHBondContact O-NH2 3.47Å
148A96.6Very high97.4Very high102 Ų10256.1 Ų56.184%0.84329%0.287SS*.SBendtrans-67.5-40.7174.400000111.5R184A148-R184 PolarHBondContact O-NH1 3.33Å
149E96.3Very high97.4Very high144 Ų14455.3 Ų55.367%0.67328%0.283SS*.  trans-138.8151.7-175.5-172.9172.9-165.200110.8V147V147-E149 WeakPolarHBondContact CG2-O 3.49Å
150L97.1Very high97.4Very high10 Ų1055.3 Ų55.35%0.05228%0.283CS..  trans-112.7114.2171.9-71.2169.7000108.5E104 V143 V147 E153 I156 L187E104-L150 HydrophobicContact CB-CD2 4.05Å; E104-L150 HydrophobicContact CG-CD2 3.92Å; E104-L150 WeakPolarHBondContact OE1-CA 3.42Å; E104-L150 WeakPolarHBondContact OE1-CB 3.43Å; V143-L150 HydrophobicContact CG1-CD2 3.94Å; V147-L150 HydrophobicContact CG2-CD2 3.73Å; V147-L150 HydrophobicContact CG2-CG 4.03Å; L150-E153 HydrophobicContact CB-CB 4.27Å; L150-I156 HydrophobicContact CD2-CD1 4.43Å; L150-L187 HydrophobicContact CD1-CD1 3.59Å; L150-L187 HydrophobicContact CD1-CD2 4.36Å; L150-L187 HydrophobicContact CD1-CG 4.1Å
151Q96.1Very high97.3Very high119 Ų11956.9 Ų56.956%0.55629%0.289SS*.THydrogen-bonded Turntrans-76.7-26.1-178.1-57.6-167.2-59.700112.3E104E104-Q151 VanDerWaalsContact CD-N 3.28Å; E104-Q151 PolarHBondContact OE1-N 3.32Å; E104-Q151 PolarHBondContact OE2-N 2.86Å
152Y96.8Very high97.3Very high52 Ų5258 Ų5820%0.20430%0.296CS..THydrogen-bonded Turntrans-113.530.6-173.7-62.6-81.1000111.9K46 D47 I49 E104 L108 D154 L155 I156K46-Y152 PolarHBondContact O-OH 3.4Å; D47-Y152 PolarHBondContact O-OH 2.85Å; I49-Y152 HydrophobicContact CD1-CD2 4.06Å; I49-Y152 HydrophobicContact CD1-CE2 3.61Å; I49-Y152 HydrophobicContact CG1-CE2 4.42Å; E104-Y152 HydrophobicContact CG-CD2 4.26Å; E104-Y152 WeakPolarHBondContact OE1-CA 3.45Å; E104-Y152 WeakPolarHBondContact OE1-CB 3.29Å; E104-Y152 PolarHBondContact OE1-N 3.48Å; L108-Y152 HydrophobicContact CD1-CD2 3.62Å; L108-Y152 HydrophobicContact CD1-CE2 4.35Å; L108-Y152 HydrophobicContact CD1-CG 3.77Å; Y152-D154 VanDerWaalsContact C-N 3.28Å; Y152-D154 PolarHBondContact O-N 3.12Å; Y152-L155 HydrophobicContact CD1-CD2 4.26Å; Y152-L155 PolarHBondContact O-N 3.43Å; Y152-L155 VanDerWaalsContact O-N 3.13Å; Y152-I156 WeakPolarHBondContact O-CG1 3.48Å; Y152-I156 PolarHBondContact O-N 3.49Å
153E96.9Very high97.3Very high19 Ų1955.4 Ų55.49%0.08928%0.283CS..Hα-helixtrans-55.1-42.3-174.2-160.3-176.6117.400112.6L150 I156 C157 S186 L187 K190L150-E153 HydrophobicContact CB-CB 4.27Å; E153-I156 PolarHBondContact O-N 3.01Å; E153-C157 WeakPolarHBondContact O-CB 3.47Å; E153-C157 PolarHBondContact O-N 3.41Å; E153-C157 PolarHBondContact O-SG 3.27Å; E153-S186 VanDerWaalsContact CD-OG 3.25Å; E153-S186 WeakPolarHBondContact OE1-CB 3.36Å; E153-S186 PolarHBondContact OE1-OG 2.91Å; E153-S186 VanDerWaalsContact OE2-CB 3.29Å; E153-S186 WeakPolarHBondContact OE2-CB 3.48Å; E153-S186 PolarHBondContact OE2-OG 2.66Å; E153-L187 HydrophobicContact CG-CD2 3.38Å; E153-L187 HydrophobicContact CG-CG 3.97Å; E153-L187 PolarHBondContact OE1-N 2.92Å; E153-K190 HydrophobicContact CG-CD 4.09Å; E153-K190 WeakPolarHBondContact OE1-CD 3.45Å; E153-K190 WeakPolarHBondContact OE1-CE 3.5Å; E153-K190 IonicContact OE1-NZ 3.72Å
154D97.5Very high97.1Very high100 Ų10055.8 Ų55.854%0.53528%0.284SS..Hα-helixtrans-63.3-48177.2-69.7-57.8000112.3Y152 I156 C157 D158 K190Y152-D154 VanDerWaalsContact C-N 3.28Å; Y152-D154 PolarHBondContact O-N 3.12Å; D154-I156 VanDerWaalsContact C-N 3.3Å; D154-I156 PolarHBondContact O-N 3.28Å; D154-C157 PolarHBondContact O-N 3.11Å; D154-C157 VanDerWaalsContact O-N 3.14Å; D154-D158 PolarHBondContact O-N 2.85Å; D154-K190 WeakPolarHBondContact OD1-CE 3.41Å; D154-K190 IonicContact OD1-NZ 2.66Å; D154-K190 PolarHBondContact OD1-NZ 2.97Å; D154-K190 IonicContact OD2-NZ 2.92Å; D154-K190 PolarHBondContact OD2-NZ 3.01Å
155L96.9Very high97Very high75 Ų7560.1 Ų60.139%0.39330%0.301SS..Hα-helixtrans-59.8-42178.7178.764.6000111.7L108 Y152 D158 F159L108-L155 HydrophobicContact CD2-CD2 4.33Å; Y152-L155 HydrophobicContact CD1-CD2 4.26Å; Y152-L155 PolarHBondContact O-N 3.43Å; Y152-L155 VanDerWaalsContact O-N 3.13Å; L155-D158 PolarHBondContact O-N 3.49Å; L155-F159 WeakPolarHBondContact O-CB 3.44Å; L155-F159 PolarHBondContact O-N 3.25Å
156I98.2Very high96.9Very high1 Ų160.9 Ų60.91%0.00531%0.307CS..Hα-helixtrans-61.7-48176.2-67.2171.9000110E104 F107 L108 L140 L150 Y152 E153 D154 F159 L160E104-I156 HydrophobicContact CG-CD1 4.23Å; F107-I156 HydrophobicContact CD1-CD1 4.08Å; F107-I156 HydrophobicContact CD1-CG1 4.23Å; F107-I156 HydrophobicContact CE1-CB 4.38Å; F107-I156 HydrophobicContact CE1-CD1 4.09Å; F107-I156 HydrophobicContact CE1-CG1 3.88Å; F107-I156 HydrophobicContact CE1-CG2 3.75Å; F107-I156 HydrophobicContact CZ-CG2 4.28Å; L108-I156 HydrophobicContact CD2-CD1 4.49Å; L108-I156 HydrophobicContact CD2-CG1 3.83Å; L140-I156 HydrophobicContact CD1-CD1 4.47Å; L140-I156 HydrophobicContact CD1-CG2 3.93Å; L140-I156 HydrophobicContact CD2-CG2 3.92Å; L150-I156 HydrophobicContact CD2-CD1 4.43Å; Y152-I156 WeakPolarHBondContact O-CG1 3.48Å; Y152-I156 PolarHBondContact O-N 3.49Å; E153-I156 PolarHBondContact O-N 3.01Å; D154-I156 VanDerWaalsContact C-N 3.3Å; D154-I156 PolarHBondContact O-N 3.28Å; I156-F159 PolarHBondContact O-N 2.99Å; I156-L160 HydrophobicContact CG2-CD1 4.36Å; I156-L160 WeakPolarHBondContact O-CG 3.39Å; I156-L160 PolarHBondContact O-N 3.45Å
157C98.1Very high96.8Very high3 Ų356.5 Ų56.52%0.0229%0.286CS..Hα-helixtrans-63.2-42.9179.8-70.30000112.5E153 D154 F159 L160 Y161 K190 L191E153-C157 WeakPolarHBondContact O-CB 3.47Å; E153-C157 PolarHBondContact O-N 3.41Å; E153-C157 PolarHBondContact O-SG 3.27Å; D154-C157 PolarHBondContact O-N 3.11Å; D154-C157 VanDerWaalsContact O-N 3.14Å; C157-F159 VanDerWaalsContact C-N 3.3Å; C157-F159 PolarHBondContact O-N 3.29Å; C157-L160 PolarHBondContact O-N 2.94Å; C157-Y161 VanDerWaalsContact O-CD2 3.25Å; C157-Y161 WeakPolarHBondContact O-CD2 3.11Å; C157-Y161 PolarHBondContact O-N 3.47Å; C157-K190 HydrophobicContact CB-CB 4.25Å; C157-K190 WeakPolarHBondContact SG-CB 3.26Å; C157-L191 HydrophobicContact CB-CD2 3.86Å
158D97.9Very high96.6Very high106 Ų10655.8 Ų55.857%0.56728%0.281SS*.Hα-helixtrans-60-42.7176.9-73.9-15.6000111.2D154 L155 Y161 H162D154-D158 PolarHBondContact O-N 2.85Å; L155-D158 PolarHBondContact O-N 3.49Å; D158-Y161 PolarHBondContact O-N 3.48Å; D158-H162 WeakPolarHBondContact O-CB 3.32Å; D158-H162 PolarHBondContact O-N 2.92Å
159F97.7Very high96.3Very high33 Ų3352.1 Ų52.115%0.14525%0.254CS..Hα-helixtrans-62.9-42.4175.3-179.9-121.8000112.5C111 A115 L118 V136 L155 I156 C157 Y161 H162 I163C111-F159 HydrophobicContact CB-CD1 4.03Å; C111-F159 HydrophobicContact CB-CE1 3.65Å; C111-F159 HydrophobicContact CB-CZ 4.22Å; C111-F159 VanDerWaalsContact SG-CE1 3.58Å; A115-F159 HydrophobicContact CB-CE2 3.5Å; A115-F159 VanDerWaalsContact CB-CE2 3.5Å; A115-F159 HydrophobicContact CB-CZ 3.78Å; L118-F159 HydrophobicContact CD1-CE2 4.06Å; L118-F159 HydrophobicContact CD1-CZ 4.06Å; V136-F159 HydrophobicContact CG1-CE1 4.44Å; L155-F159 WeakPolarHBondContact O-CB 3.44Å; L155-F159 PolarHBondContact O-N 3.25Å; I156-F159 PolarHBondContact O-N 2.99Å; C157-F159 VanDerWaalsContact C-N 3.3Å; C157-F159 PolarHBondContact O-N 3.29Å; F159-Y161 VanDerWaalsContact C-N 3.35Å; F159-Y161 PolarHBondContact O-N 3.35Å; F159-H162 WeakPolarHBondContact O-CB 3.39Å; F159-H162 PolarHBondContact O-N 3.41Å; F159-I163 HydrophobicContact CD1-CD1 3.99Å; F159-I163 HydrophobicContact CE1-CD1 3.49Å; F159-I163 VanDerWaalsContact CE1-CD1 3.49Å; F159-I163 HydrophobicContact CE1-CG1 4.39Å; F159-I163 HydrophobicContact CE2-CD1 4.1Å; F159-I163 HydrophobicContact CE2-CG1 4.14Å; F159-I163 HydrophobicContact CZ-CD1 3.56Å; F159-I163 HydrophobicContact CZ-CG1 4.08Å; F159-I163 WeakPolarHBondContact O-CG1 3.42Å; F159-I163 PolarHBondContact O-N 3.2Å
160L97.8Very high96.1Very high0 Ų047.9 Ų47.90%024%0.235CC..Hα-helixtrans-65.3-38176.8-68.6-178.8000112.5V136 Y137 L140 I156 C157 I163 K164 L191 I194V136-L160 HydrophobicContact CG1-CD2 3.69Å; Y137-L160 HydrophobicContact CD1-CD1 4.39Å; Y137-L160 HydrophobicContact CD2-CD2 4.48Å; Y137-L160 HydrophobicContact CE1-CD1 3.8Å; Y137-L160 HydrophobicContact CE1-CD2 4.21Å; Y137-L160 HydrophobicContact CE1-CG 4.48Å; Y137-L160 HydrophobicContact CE2-CD2 4.01Å; L140-L160 HydrophobicContact CD2-CD1 3.62Å; I156-L160 HydrophobicContact CG2-CD1 4.36Å; I156-L160 WeakPolarHBondContact O-CG 3.39Å; I156-L160 PolarHBondContact O-N 3.45Å; C157-L160 PolarHBondContact O-N 2.94Å; L160-I163 HydrophobicContact CD2-CD1 4.46Å; L160-I163 PolarHBondContact O-N 2.66Å; L160-K164 PolarHBondContact O-N 3.18Å; L160-L191 HydrophobicContact CB-CD2 4.11Å; L160-L191 HydrophobicContact CD1-CD1 3.89Å; L160-L191 HydrophobicContact CD1-CD2 3.81Å; L160-I194 HydrophobicContact CB-CD1 3.97Å
161Y97.4Very high95.8Very high34 Ų3450.7 Ų50.713%0.13326%0.256CS..Hα-helixtrans-65.4-40.6172.3-83.8-59.6000112.2C157 D158 F159 I163 K164 Y165 K190 L191 Y193 I194C157-Y161 VanDerWaalsContact O-CD2 3.25Å; C157-Y161 WeakPolarHBondContact O-CD2 3.11Å; C157-Y161 PolarHBondContact O-N 3.47Å; D158-Y161 PolarHBondContact O-N 3.48Å; F159-Y161 VanDerWaalsContact C-N 3.35Å; F159-Y161 PolarHBondContact O-N 3.35Å; Y161-I163 VanDerWaalsContact C-N 3.34Å; Y161-I163 PolarHBondContact O-N 2.86Å; Y161-K164 PolarHBondContact O-N 2.96Å; Y161-Y165 HydrophobicContact CD1-CD2 4.19Å; Y161-Y165 AromaticContact CD1-CE2 3.39Å; Y161-Y165 HydrophobicContact CD1-CE2 3.39Å; Y161-Y165 AromaticContact CD1-CZ 4Å; Y161-Y165 HydrophobicContact CE1-CE2 4.14Å; Y161-Y165 HydrophobicContact CG-CE2 4.16Å; Y161-Y165 WeakPolarHBondContact O-CD2 3.47Å; Y161-Y165 PolarHBondContact O-N 3.29Å; Y161-K190 WeakPolarHBondContact CE2-O 3.27Å; Y161-K190 PolarHBondContact OH-O 2.92Å; Y161-L191 HydrophobicContact CE2-CD2 4.39Å; Y161-L191 WeakPolarHBondContact OH-CA 3.26Å; Y161-L191 PolarHBondContact OH-O 3.01Å; Y161-Y193 WeakPolarHBondContact OH-CA 3.41Å; Y161-Y193 WeakPolarHBondContact OH-CB 3.26Å; Y161-Y193 PolarHBondContact OH-N 3.21Å; Y161-I194 HydrophobicContact CD1-CD1 4.27Å; Y161-I194 HydrophobicContact CD1-CG1 3.82Å; Y161-I194 HydrophobicContact CE1-CD1 4.23Å; Y161-I194 HydrophobicContact CE1-CG1 3.39Å
162H97Very high95.5Very high92 Ų9245.3 Ų45.343%0.42623%0.231SC..Hα-helixtrans-59.1-46.4173.9-17677.9000111D158 F159 K164 Y165 M166 F167D158-H162 WeakPolarHBondContact O-CB 3.32Å; D158-H162 PolarHBondContact O-N 2.92Å; F159-H162 WeakPolarHBondContact O-CB 3.39Å; F159-H162 PolarHBondContact O-N 3.41Å; H162-K164 PolarHBondContact O-N 2.9Å; H162-Y165 PolarHBondContact O-N 2.79Å; H162-M166 VanDerWaalsContact O-CB 3.23Å; H162-M166 WeakPolarHBondContact O-CB 3.31Å; H162-M166 WeakPolarHBondContact O-CG 3.41Å; H162-M166 PolarHBondContact O-N 2.98Å; H162-F167 AromaticContact CD2-CE2 3.76Å; H162-F167 AromaticContact NE2-CE2 3.72Å; H162-F167 AromaticContact NE2-CZ 3.77Å
163I96.3Very high95.1Very high0 Ų047.6 Ų47.60%024%0.239CC..Hα-helixtrans-56.9-49.4175.3-71.3170.4000111.4L118 V136 F159 L160 Y161 F167 L168L118-I163 HydrophobicContact CD1-CD1 4.25Å; L118-I163 HydrophobicContact CD1-CG1 3.71Å; V136-I163 HydrophobicContact CG1-CD1 4.43Å; F159-I163 HydrophobicContact CD1-CD1 3.99Å; F159-I163 HydrophobicContact CE1-CD1 3.49Å; F159-I163 VanDerWaalsContact CE1-CD1 3.49Å; F159-I163 HydrophobicContact CE1-CG1 4.39Å; F159-I163 HydrophobicContact CE2-CD1 4.1Å; F159-I163 HydrophobicContact CE2-CG1 4.14Å; F159-I163 HydrophobicContact CZ-CD1 3.56Å; F159-I163 HydrophobicContact CZ-CG1 4.08Å; F159-I163 WeakPolarHBondContact O-CG1 3.42Å; F159-I163 PolarHBondContact O-N 3.2Å; L160-I163 HydrophobicContact CD2-CD1 4.46Å; L160-I163 PolarHBondContact O-N 2.66Å; Y161-I163 VanDerWaalsContact C-N 3.34Å; Y161-I163 PolarHBondContact O-N 2.86Å; I163-F167 PolarHBondContact O-N 3.36Å; I163-F167 VanDerWaalsContact O-N 3.15Å; I163-L168 HydrophobicContact CG2-CD1 3.48Å; I163-L168 VanDerWaalsContact CG2-CD1 3.48Å; I163-L168 HydrophobicContact CG2-CG 4.07Å; I163-L168 PolarHBondContact O-N 3.48Å
164K94.8Very high94.8Very high7 Ų753.9 Ų53.93%0.0327%0.268CS..Iπ-helixtrans-56.1-59.5178.9173178.9172.5168.50110.2L160 Y161 H162 L168 G169 D170 Y193 I194 F196L160-K164 PolarHBondContact O-N 3.18Å; Y161-K164 PolarHBondContact O-N 2.96Å; H162-K164 PolarHBondContact O-N 2.9Å; K164-L168 PolarHBondContact O-N 2.78Å; K164-G169 WeakPolarHBondContact O-CA 3.44Å; K164-G169 PolarHBondContact O-N 2.93Å; K164-D170 IonicContact NZ-OD1 3.36Å; K164-Y193 PolarHBondContact NZ-O 2.73Å; K164-I194 HydrophobicContact CD-CB 4.38Å; K164-I194 HydrophobicContact CD-CG1 4.42Å; K164-I194 HydrophobicContact CD-CG2 4.26Å; K164-I194 WeakPolarHBondContact CE-O 3.4Å; K164-I194 VanDerWaalsContact NZ-C 3.33Å; K164-I194 PolarHBondContact NZ-O 2.73Å; K164-F196 PolarHBondContact NZ-O 2.94Å
165Y95.4Very high94.6Very high99 Ų9951.9 Ų51.939%0.38826%0.256SS..Iπ-helixtrans-79.3-25.3-166.3-64.1-53.9000114Y161 H162 Q198Y161-Y165 HydrophobicContact CD1-CD2 4.19Å; Y161-Y165 AromaticContact CD1-CE2 3.39Å; Y161-Y165 HydrophobicContact CD1-CE2 3.39Å; Y161-Y165 AromaticContact CD1-CZ 4Å; Y161-Y165 HydrophobicContact CE1-CE2 4.14Å; Y161-Y165 HydrophobicContact CG-CE2 4.16Å; Y161-Y165 WeakPolarHBondContact O-CD2 3.47Å; Y161-Y165 PolarHBondContact O-N 3.29Å; H162-Y165 PolarHBondContact O-N 2.79Å; Y165-Q198 HydrophobicContact CD1-CG 4.45Å; Y165-Q198 VanDerWaalsContact CD1-NE2 3.32Å; Y165-Q198 HydrophobicContact CE1-CG 4.4Å
166M95.2Very high94.4Very high120 Ų12048.6 Ų48.659%0.59124%0.239SC*.Iπ-helixtrans-93.8-26.9-178.2-62.8-57.5-6100113.9H162H162-M166 VanDerWaalsContact O-CB 3.23Å; H162-M166 WeakPolarHBondContact O-CB 3.31Å; H162-M166 WeakPolarHBondContact O-CG 3.41Å; H162-M166 PolarHBondContact O-N 2.98Å
167F94.9Very high94.2Very high40 Ų4051.2 Ų51.218%0.17525%0.253CS..Iπ-helixtrans-129.1-42.1-168.8-49-58.2000114.7L118 L119 H162 I163L118-F167 HydrophobicContact CB-CD1 4.46Å; L118-F167 HydrophobicContact CB-CD2 3.69Å; L118-F167 HydrophobicContact CB-CE1 4.3Å; L118-F167 HydrophobicContact CB-CE2 3.52Å; L118-F167 HydrophobicContact CB-CG 4.19Å; L118-F167 HydrophobicContact CB-CZ 3.84Å; L118-F167 HydrophobicContact CD1-CD2 3.92Å; L118-F167 HydrophobicContact CD1-CE2 3.67Å; L118-F167 HydrophobicContact CG-CD2 4.36Å; L118-F167 HydrophobicContact CG-CE2 4.25Å; L119-F167 HydrophobicContact CB-CE1 3.98Å; L119-F167 HydrophobicContact CD1-CE1 4.23Å; H162-F167 AromaticContact CD2-CE2 3.76Å; H162-F167 AromaticContact NE2-CE2 3.72Å; H162-F167 AromaticContact NE2-CZ 3.77Å; I163-F167 PolarHBondContact O-N 3.36Å; I163-F167 VanDerWaalsContact O-N 3.15Å
168L93.6Very high94Very high15 Ų1557.9 Ų57.98%0.07928%0.277CS..Iπ-helixtrans-109.4-20-165.7-62-180000114.6C129 I163 K164 D170 S171 M172C129-L168 HydrophobicContact CB-CD2 4.11Å; I163-L168 HydrophobicContact CG2-CD1 3.48Å; I163-L168 VanDerWaalsContact CG2-CD1 3.48Å; I163-L168 HydrophobicContact CG2-CG 4.07Å; I163-L168 PolarHBondContact O-N 3.48Å; K164-L168 PolarHBondContact O-N 2.78Å; L168-D170 PolarHBondContact O-N 3.43Å; L168-S171 VanDerWaalsContact O-CB 3.31Å; L168-S171 WeakPolarHBondContact O-CB 3.4Å; L168-S171 PolarHBondContact O-N 3.34Å; L168-S171 VanDerWaalsContact O-N 3.12Å; L168-S171 PolarHBondContact O-OG 3.15Å; L168-M172 HydrophobicContact CB-CE 4.38Å; L168-M172 HydrophobicContact CD1-CE 3.21Å; L168-M172 HydrophobicContact CD1-CG 4.16Å; L168-M172 HydrophobicContact CD1-SD 3.48Å; L168-M172 WeakPolarHBondContact CD1-SD 3.47Å; L168-M172 HydrophobicContact CG-CE 4.39Å
169G91.1Very high93.9Very high26 Ų2653.4 Ų53.427%0.26825%0.254SS..THydrogen-bonded Turntrans50.5-133-175.400000111.6K164 S171K164-G169 WeakPolarHBondContact O-CA 3.44Å; K164-G169 PolarHBondContact O-N 2.93Å; G169-S171 VanDerWaalsContact C-N 3.34Å
170D91.3Very high93.8Very high54 Ų5452.5 Ų52.529%0.28925%0.251SS..THydrogen-bonded Turntrans-89.44.7-179.5-64.9-37.1000113.8K164 L168 M172 R173 M197 Q198K164-D170 IonicContact NZ-OD1 3.36Å; L168-D170 PolarHBondContact O-N 3.43Å; D170-M172 VanDerWaalsContact C-N 3.29Å; D170-M172 PolarHBondContact O-N 2.97Å; D170-R173 WeakPolarHBondContact O-CB 3.47Å; D170-R173 PolarHBondContact O-N 2.93Å; D170-M197 WeakPolarHBondContact OD2-CA 3.46Å; D170-Q198 PolarHBondContact OD2-N 3.02Å
171S90.7Very high93.7Very high69 Ų6956.1 Ų56.148%0.48328%0.276SS..THydrogen-bonded Turntrans-61.6-33.2-174.162.70000113.9Y130 L168 G169Y130-S171 WeakPolarHBondContact CE2-O 3.35Å; L168-S171 VanDerWaalsContact O-CB 3.31Å; L168-S171 WeakPolarHBondContact O-CB 3.4Å; L168-S171 PolarHBondContact O-N 3.34Å; L168-S171 VanDerWaalsContact O-N 3.12Å; L168-S171 PolarHBondContact O-OG 3.15Å; G169-S171 VanDerWaalsContact C-N 3.34Å
172M90.1Very high93.7Very high7 Ų758.7 Ų58.73%0.03429%0.289CS..THydrogen-bonded Turntrans-96.89.6-177.9-66.4-161.6-50.200114.2Y130 I134 Y137 L168 D170 H174 E175 T176Y130-M172 HydrophobicContact CD2-CG 3.46Å; Y130-M172 VanDerWaalsContact CD2-CG 3.46Å; Y130-M172 HydrophobicContact CD2-SD 4.37Å; Y130-M172 HydrophobicContact CE2-CB 4.19Å; Y130-M172 HydrophobicContact CE2-CG 3.35Å; Y130-M172 HydrophobicContact CG-CG 4.31Å; I134-M172 HydrophobicContact CG1-SD 3.88Å; Y137-M172 HydrophobicContact CD2-CE 4.1Å; Y137-M172 HydrophobicContact CE2-CE 3.74Å; L168-M172 HydrophobicContact CB-CE 4.38Å; L168-M172 HydrophobicContact CD1-CE 3.21Å; L168-M172 HydrophobicContact CD1-CG 4.16Å; L168-M172 HydrophobicContact CD1-SD 3.48Å; L168-M172 WeakPolarHBondContact CD1-SD 3.47Å; L168-M172 HydrophobicContact CG-CE 4.39Å; D170-M172 VanDerWaalsContact C-N 3.29Å; D170-M172 PolarHBondContact O-N 2.97Å; M172-H174 VanDerWaalsContact C-N 3.3Å; M172-H174 PolarHBondContact O-N 3.32Å; M172-H174 VanDerWaalsContact O-N 3.17Å; M172-E175 PolarHBondContact O-N 3.18Å; M172-E175 VanDerWaalsContact O-N 3.07Å; M172-T176 HydrophobicContact CB-CG2 3.92Å; M172-T176 HydrophobicContact CE-CG2 4.02Å; M172-T176 WeakPolarHBondContact O-CG2 3.29Å; M172-T176 PolarHBondContact O-N 3.37Å; M172-T176 PolarHBondContact O-OG1 3.07Å
173R89.3Confident93.7Very high99 Ų9954.5 Ų54.537%0.37427%0.27SS..Hα-helixtrans-52.8-45.6-167.2-179.3173.9179.8-97.5-7.3113.3D170 E175 T176 D177 G195D170-R173 WeakPolarHBondContact O-CB 3.47Å; D170-R173 PolarHBondContact O-N 2.93Å; R173-E175 PolarHBondContact O-N 3.02Å; R173-T176 WeakPolarHBondContact CA-OG1 3.38Å; R173-T176 PolarHBondContact O-N 3.15Å; R173-T176 PolarHBondContact O-OG1 3Å; R173-D177 IonicContact CZ-OD2 2.68Å; R173-D177 IonicContact NE-OD2 3.76Å; R173-D177 WeakPolarHBondContact O-CB 3.35Å; R173-D177 PolarHBondContact O-N 3.16Å; R173-G195 PolarHBondContact NE-O 3.19Å
174H90.1Very high93.7Very high151 Ų15156.7 Ų56.770%0.69928%0.278SS*.Hα-helixtrans-63.1-43.2-178.8-72.3-60.4000112.2M172 R178M172-H174 VanDerWaalsContact C-N 3.3Å; M172-H174 PolarHBondContact O-N 3.32Å; M172-H174 VanDerWaalsContact O-N 3.17Å; H174-R178 WeakPolarHBondContact O-CB 3.44Å; H174-R178 PolarHBondContact O-N 3.49Å
175E92.3Very high93.9Very high59 Ų5960.8 Ų60.828%0.27631%0.305SS..Hα-helixtrans-69.1-43.5178.5-71.181.8170.200111.4Y130 I134 M172 R173 R178 V179Y130-E175 PolarHBondContact OH-OE1 2.99Å; Y130-E175 PolarHBondContact OH-OE2 2.94Å; I134-E175 HydrophobicContact CD1-CB 4.4Å; I134-E175 HydrophobicContact CD1-CG 3.9Å; I134-E175 HydrophobicContact CG1-CB 4.36Å; I134-E175 HydrophobicContact CG1-CG 4.39Å; M172-E175 PolarHBondContact O-N 3.18Å; M172-E175 VanDerWaalsContact O-N 3.07Å; R173-E175 PolarHBondContact O-N 3.02Å; E175-R178 PolarHBondContact O-N 2.68Å; E175-V179 WeakPolarHBondContact O-CG2 3.45Å; E175-V179 PolarHBondContact O-N 3.06Å; E175-V179 VanDerWaalsContact O-N 3.11Å
176T93.3Very high94Very high5 Ų557.7 Ų57.73%0.03130%0.298CS..Hα-helixtrans-66.1-43.7178.655.40000111.6Y137 M172 R173 R178 V179 I180 I194Y137-T176 HydrophobicContact CD1-CG2 4.39Å; Y137-T176 HydrophobicContact CD2-CG2 3.89Å; Y137-T176 HydrophobicContact CE1-CG2 4.02Å; Y137-T176 HydrophobicContact CE2-CG2 3.5Å; Y137-T176 HydrophobicContact CG-CG2 4.34Å; M172-T176 HydrophobicContact CB-CG2 3.92Å; M172-T176 HydrophobicContact CE-CG2 4.02Å; M172-T176 WeakPolarHBondContact O-CG2 3.29Å; M172-T176 PolarHBondContact O-N 3.37Å; M172-T176 PolarHBondContact O-OG1 3.07Å; R173-T176 WeakPolarHBondContact CA-OG1 3.38Å; R173-T176 PolarHBondContact O-N 3.15Å; R173-T176 PolarHBondContact O-OG1 3Å; T176-R178 VanDerWaalsContact C-N 3.3Å; T176-R178 PolarHBondContact O-N 3.35Å; T176-V179 PolarHBondContact O-N 2.73Å; T176-I180 VanDerWaalsContact O-CB 3.32Å; T176-I180 WeakPolarHBondContact O-CB 3.37Å; T176-I180 WeakPolarHBondContact O-CG1 3.46Å; T176-I180 PolarHBondContact O-N 3.17Å; T176-I194 HydrophobicContact CG2-CG2 4.15Å
177D93.1Very high94.1Very high56 Ų5652 Ų5230%0.29927%0.27SS..Hα-helixtrans-63.2-39.2179.6-72.7-12.7000111.2R173 V179 S181 G195R173-D177 IonicContact CZ-OD2 2.68Å; R173-D177 IonicContact NE-OD2 3.76Å; R173-D177 WeakPolarHBondContact O-CB 3.35Å; R173-D177 PolarHBondContact O-N 3.16Å; D177-V179 VanDerWaalsContact C-N 3.35Å; D177-V179 PolarHBondContact O-N 2.93Å; D177-S181 WeakPolarHBondContact O-CB 3.22Å; D177-S181 PolarHBondContact O-N 3.17Å; D177-S181 PolarHBondContact O-OG 3.33Å; D177-G195 WeakPolarHBondContact OD1-CA 3.48Å
178R94.1Very high94.2Very high143 Ų14353.5 Ų53.554%0.5428%0.278SS..Hα-helixtrans-62.2-41.5175.4-174.5-174.571.3171.81.5112H174 E175 T176 S181 Q182H174-R178 WeakPolarHBondContact O-CB 3.44Å; H174-R178 PolarHBondContact O-N 3.49Å; E175-R178 PolarHBondContact O-N 2.68Å; T176-R178 VanDerWaalsContact C-N 3.3Å; T176-R178 PolarHBondContact O-N 3.35Å; R178-S181 PolarHBondContact O-OG 3.33Å; R178-S181 VanDerWaalsContact O-OG 3.04Å; R178-Q182 PolarHBondContact O-NE2 3.49Å
179V95.6Very high94.3Very high12 Ų1260.3 Ų60.37%0.07330%0.302CS..Hα-helixtrans-75.4-48.6-179.9175.50000110.7Y137 E175 T176 D177 S181 Q182 L183Y137-V179 HydrophobicContact CD1-CG1 4.42Å; E175-V179 WeakPolarHBondContact O-CG2 3.45Å; E175-V179 PolarHBondContact O-N 3.06Å; E175-V179 VanDerWaalsContact O-N 3.11Å; T176-V179 PolarHBondContact O-N 2.73Å; D177-V179 VanDerWaalsContact C-N 3.35Å; D177-V179 PolarHBondContact O-N 2.93Å; V179-S181 VanDerWaalsContact C-N 3.31Å; V179-S181 PolarHBondContact O-N 2.87Å; V179-Q182 PolarHBondContact O-N 2.94Å; V179-L183 HydrophobicContact CG1-CD2 4.46Å; V179-L183 PolarHBondContact O-N 3.37Å
180I95.9Very high94.6Very high15 Ų1562.1 Ų62.18%0.07730%0.303CS..Hα-helixtrans-58.7-43.3-176.3-69.4167.1000110.8Y137 T176 Q182 L183 Q188 L191 I194Y137-I180 HydrophobicContact CE1-CD1 4.19Å; Y137-I180 HydrophobicContact CE1-CG1 4.24Å; T176-I180 VanDerWaalsContact O-CB 3.32Å; T176-I180 WeakPolarHBondContact O-CB 3.37Å; T176-I180 WeakPolarHBondContact O-CG1 3.46Å; T176-I180 PolarHBondContact O-N 3.17Å; I180-Q182 PolarHBondContact O-N 3.43Å; I180-L183 HydrophobicContact CG1-CD1 4.32Å; I180-L183 WeakPolarHBondContact O-CB 3.36Å; I180-L183 PolarHBondContact O-N 3.25Å; I180-Q188 HydrophobicContact CG2-CG 4.42Å; I180-Q188 WeakPolarHBondContact O-CG 3.49Å; I180-L191 HydrophobicContact CD1-CB 4.01Å; I180-L191 HydrophobicContact CD1-CD1 4.43Å; I180-L191 HydrophobicContact CG1-CB 4.34Å; I180-L191 HydrophobicContact CG1-CD1 4.1Å; I180-L191 HydrophobicContact CG2-CB 4.3Å; I180-I194 HydrophobicContact CD1-CB 3.81Å; I180-I194 HydrophobicContact CD1-CG2 3.81Å
181S95.6Very high94.9Very high75 Ų7559.6 Ų59.652%0.52429%0.289SS..THydrogen-bonded Turntrans-58.4-19.3178.757.10000114.2D177 R178 V179 Q188D177-S181 WeakPolarHBondContact O-CB 3.22Å; D177-S181 PolarHBondContact O-N 3.17Å; D177-S181 PolarHBondContact O-OG 3.33Å; R178-S181 PolarHBondContact O-OG 3.33Å; R178-S181 VanDerWaalsContact O-OG 3.04Å; V179-S181 VanDerWaalsContact C-N 3.31Å; V179-S181 PolarHBondContact O-N 2.87Å; S181-Q188 PolarHBondContact O-NE2 2.96Å; S181-Q188 VanDerWaalsContact O-NE2 3.11Å
182Q97Very high95Very high88 Ų8862.3 Ų62.341%0.41129%0.289SS..THydrogen-bonded Turntrans-100-7.3178.7-60175.467.100113.6Y141 K145 R178 V179 I180Y141-Q182 HydrophobicContact CD2-CB 4.15Å; Y141-Q182 HydrophobicContact CE2-CB 3.65Å; K145-Q182 WeakPolarHBondContact CE-O 3.44Å; K145-Q182 PolarHBondContact NZ-O 2.97Å; R178-Q182 PolarHBondContact O-NE2 3.49Å; V179-Q182 PolarHBondContact O-N 2.94Å; I180-Q182 PolarHBondContact O-N 3.43Å
183L97.4Very high95.1Very high5 Ų567 Ų673%0.02631%0.307CS..SBendtrans-73.8170.2178.7-62.1175.2000112L140 Y141 D144 V179 I180 L187 Q188 L191L140-L183 HydrophobicContact CD2-CD1 4.2Å; L140-L183 HydrophobicContact CG-CD2 4.48Å; Y141-L183 HydrophobicContact CD2-CD2 4.16Å; D144-L183 HydrophobicContact CB-CD2 3.87Å; D144-L183 WeakPolarHBondContact OD2-CA 3.11Å; V179-L183 HydrophobicContact CG1-CD2 4.46Å; V179-L183 PolarHBondContact O-N 3.37Å; I180-L183 HydrophobicContact CG1-CD1 4.32Å; I180-L183 WeakPolarHBondContact O-CB 3.36Å; I180-L183 PolarHBondContact O-N 3.25Å; L183-L187 HydrophobicContact CB-CB 3.98Å; L183-L187 HydrophobicContact CB-CD1 4.15Å; L183-L187 HydrophobicContact CD1-CB 4.21Å; L183-L187 HydrophobicContact CD1-CD1 4.14Å; L183-L187 HydrophobicContact CD2-CD1 4.34Å; L183-L187 HydrophobicContact CG-CD1 4.43Å; L183-Q188 HydrophobicContact CB-CG 4.46Å; L183-Q188 PolarHBondContact O-NE2 3.32Å; L183-L191 HydrophobicContact CD1-CD1 3.93Å
184R97.5Very high95.2Very high45 Ų4562.5 Ų62.517%0.1729%0.29CS..  trans-59.4153.6172.268.4-175.563.4-149.6-8.8112.7D144 V147 A148 S186 L187 Q188D144-R184 PolarHBondContact O-NH2 3.1Å; D144-R184 WeakPolarHBondContact OD1-CB 3.31Å; D144-R184 WeakPolarHBondContact OD1-CD 3.31Å; D144-R184 WeakPolarHBondContact OD1-CG 3.4Å; D144-R184 IonicContact OD1-CZ 3.32Å; D144-R184 PolarHBondContact OD1-N 3.47Å; D144-R184 IonicContact OD1-NE 2.62Å; D144-R184 PolarHBondContact OD1-NE 3.26Å; D144-R184 IonicContact OD1-NH2 3.5Å; D144-R184 PolarHBondContact OD2-N 3.14Å; V147-R184 PolarHBondContact O-NH2 3.47Å; A148-R184 PolarHBondContact O-NH1 3.33Å; R184-S186 VanDerWaalsContact C-N 3.25Å; R184-S186 VanDerWaalsContact CD-OG 3.3Å; R184-S186 WeakPolarHBondContact CD-OG 3.25Å; R184-S186 WeakPolarHBondContact CG-OG 3.25Å; R184-S186 PolarHBondContact O-N 3.33Å; R184-S186 VanDerWaalsContact O-N 3.14Å; R184-L187 HydrophobicContact CG-CB 4.04Å; R184-L187 HydrophobicContact CG-CD1 4.02Å; R184-L187 HydrophobicContact CG-CG 3.93Å; R184-L187 PolarHBondContact O-N 3.34Å; R184-Q188 PolarHBondContact O-N 2.87Å
185P97.4Very high94.7Very high93 Ų9355.9 Ų55.960%0.60426%0.263SS*.Hα-helixtrans-57.8-30.9-176-2835.7000115.4R189P185-R189 WeakPolarHBondContact O-CB 3.27Å; P185-R189 PolarHBondContact O-N 2.98Å
186S97.5Very high94Very high34 Ų3458.9 Ų58.924%0.23828%0.275CS..Hα-helixtrans-64.5-52.4176.956.70000111E153 R184 Q188 R189 K190E153-S186 VanDerWaalsContact CD-OG 3.25Å; E153-S186 WeakPolarHBondContact OE1-CB 3.36Å; E153-S186 PolarHBondContact OE1-OG 2.91Å; E153-S186 VanDerWaalsContact OE2-CB 3.29Å; E153-S186 WeakPolarHBondContact OE2-CB 3.48Å; E153-S186 PolarHBondContact OE2-OG 2.66Å; R184-S186 VanDerWaalsContact C-N 3.25Å; R184-S186 VanDerWaalsContact CD-OG 3.3Å; R184-S186 WeakPolarHBondContact CD-OG 3.25Å; R184-S186 WeakPolarHBondContact CG-OG 3.25Å; R184-S186 PolarHBondContact O-N 3.33Å; R184-S186 VanDerWaalsContact O-N 3.14Å; S186-Q188 PolarHBondContact O-N 2.67Å; S186-R189 WeakPolarHBondContact O-CB 3.3Å; S186-R189 PolarHBondContact O-N 3.32Å; S186-R189 VanDerWaalsContact O-N 3.11Å; S186-K190 WeakPolarHBondContact O-CG 3.48Å; S186-K190 PolarHBondContact O-N 3.17Å
187L97.7Very high92.5Very high0 Ų065.6 Ų65.60%031%0.308CS..Hα-helixtrans-57.7-44.7174.4-78.5178000112.4L140 D144 L150 E153 L183 R184 R189 K190 L191L140-L187 HydrophobicContact CD1-CD1 4.29Å; L140-L187 HydrophobicContact CD2-CD1 4.46Å; L140-L187 HydrophobicContact CG-CD1 4.48Å; D144-L187 HydrophobicContact CB-CD1 4.5Å; L150-L187 HydrophobicContact CD1-CD1 3.59Å; L150-L187 HydrophobicContact CD1-CD2 4.36Å; L150-L187 HydrophobicContact CD1-CG 4.1Å; E153-L187 HydrophobicContact CG-CD2 3.38Å; E153-L187 HydrophobicContact CG-CG 3.97Å; E153-L187 PolarHBondContact OE1-N 2.92Å; L183-L187 HydrophobicContact CB-CB 3.98Å; L183-L187 HydrophobicContact CB-CD1 4.15Å; L183-L187 HydrophobicContact CD1-CB 4.21Å; L183-L187 HydrophobicContact CD1-CD1 4.14Å; L183-L187 HydrophobicContact CD2-CD1 4.34Å; L183-L187 HydrophobicContact CG-CD1 4.43Å; R184-L187 HydrophobicContact CG-CB 4.04Å; R184-L187 HydrophobicContact CG-CD1 4.02Å; R184-L187 HydrophobicContact CG-CG 3.93Å; R184-L187 PolarHBondContact O-N 3.34Å; L187-R189 VanDerWaalsContact C-N 3.28Å; L187-R189 PolarHBondContact O-N 3.11Å; L187-K190 PolarHBondContact O-N 3.48Å; L187-L191 WeakPolarHBondContact O-CB 3.47Å; L187-L191 WeakPolarHBondContact O-CG 3.38Å; L187-L191 PolarHBondContact O-N 3.33Å
188Q97.4Very high91Very high72 Ų7267.8 Ų67.834%0.33632%0.317SS..Hα-helixtrans-56.2-44.3176.1-70.5-173.325.100112I180 S181 L183 R184 S186 R192I180-Q188 HydrophobicContact CG2-CG 4.42Å; I180-Q188 WeakPolarHBondContact O-CG 3.49Å; S181-Q188 PolarHBondContact O-NE2 2.96Å; S181-Q188 VanDerWaalsContact O-NE2 3.11Å; L183-Q188 HydrophobicContact CB-CG 4.46Å; L183-Q188 PolarHBondContact O-NE2 3.32Å; R184-Q188 PolarHBondContact O-N 2.87Å; S186-Q188 PolarHBondContact O-N 2.67Å; Q188-R192 PolarHBondContact O-N 2.94Å; Q188-R192 VanDerWaalsContact O-N 3.15Å
189R96.9Very high88.6Confident159 Ų15965.9 Ų65.960%0.633%0.325SS*.Hα-helixtrans-67-40.3179.5-170.1-171.8-56.8127.62.4111.8P185 S186 L187 R192P185-R189 WeakPolarHBondContact O-CB 3.27Å; P185-R189 PolarHBondContact O-N 2.98Å; S186-R189 WeakPolarHBondContact O-CB 3.3Å; S186-R189 PolarHBondContact O-N 3.32Å; S186-R189 VanDerWaalsContact O-N 3.11Å; L187-R189 VanDerWaalsContact C-N 3.28Å; L187-R189 PolarHBondContact O-N 3.11Å; R189-R192 WeakPolarHBondContact O-CD 3.32Å; R189-R192 VanDerWaalsContact O-CG 3.29Å; R189-R192 WeakPolarHBondContact O-CG 3.42Å; R189-R192 PolarHBondContact O-NH1 3.2Å
190K97.4Very high85.9Confident63 Ų6371.6 Ų71.627%0.27436%0.355SS..Hα-helixtrans-70.7-39.3179.5-67.7-167.5-170.5-165.60111.9E153 D154 C157 Y161 S186 L187 R192E153-K190 HydrophobicContact CG-CD 4.09Å; E153-K190 WeakPolarHBondContact OE1-CD 3.45Å; E153-K190 WeakPolarHBondContact OE1-CE 3.5Å; E153-K190 IonicContact OE1-NZ 3.72Å; D154-K190 WeakPolarHBondContact OD1-CE 3.41Å; D154-K190 IonicContact OD1-NZ 2.66Å; D154-K190 PolarHBondContact OD1-NZ 2.97Å; D154-K190 IonicContact OD2-NZ 2.92Å; D154-K190 PolarHBondContact OD2-NZ 3.01Å; C157-K190 HydrophobicContact CB-CB 4.25Å; C157-K190 WeakPolarHBondContact SG-CB 3.26Å; Y161-K190 WeakPolarHBondContact CE2-O 3.27Å; Y161-K190 PolarHBondContact OH-O 2.92Å; S186-K190 WeakPolarHBondContact O-CG 3.48Å; S186-K190 PolarHBondContact O-N 3.17Å; L187-K190 PolarHBondContact O-N 3.48Å; K190-R192 VanDerWaalsContact C-N 3.35Å; K190-R192 PolarHBondContact O-N 3.18Å
191L96.4Very high83.1Confident1 Ų179.7 Ų79.71%0.00539%0.393CS..SBendtrans-88.67.5-178.5-59.9173.7000114.3C157 L160 Y161 I180 L183 L187 Y193 I194C157-L191 HydrophobicContact CB-CD2 3.86Å; L160-L191 HydrophobicContact CB-CD2 4.11Å; L160-L191 HydrophobicContact CD1-CD1 3.89Å; L160-L191 HydrophobicContact CD1-CD2 3.81Å; Y161-L191 HydrophobicContact CE2-CD2 4.39Å; Y161-L191 WeakPolarHBondContact OH-CA 3.26Å; Y161-L191 PolarHBondContact OH-O 3.01Å; I180-L191 HydrophobicContact CD1-CB 4.01Å; I180-L191 HydrophobicContact CD1-CD1 4.43Å; I180-L191 HydrophobicContact CG1-CB 4.34Å; I180-L191 HydrophobicContact CG1-CD1 4.1Å; I180-L191 HydrophobicContact CG2-CB 4.3Å; L183-L191 HydrophobicContact CD1-CD1 3.93Å; L187-L191 WeakPolarHBondContact O-CB 3.47Å; L187-L191 WeakPolarHBondContact O-CG 3.38Å; L187-L191 PolarHBondContact O-N 3.33Å; L191-Y193 PolarHBondContact O-N 3.24Å; L191-I194 HydrophobicContact CB-CD1 4.35Å; L191-I194 HydrophobicContact CB-CG1 4.35Å; L191-I194 HydrophobicContact CD2-CD1 3.67Å; L191-I194 HydrophobicContact CD2-CG1 4.36Å; L191-I194 WeakPolarHBondContact O-CB 3.43Å; L191-I194 WeakPolarHBondContact O-CG1 3.31Å; L191-I194 PolarHBondContact O-N 3.26Å
192R93Very high80.3Confident127 Ų12780.9 Ų80.948%0.47940%0.401SS..THydrogen-bonded Turntrans-54-29.1-173.168.2-175.7179.2-102.22.8114.5Q188 R189 K190 F196Q188-R192 PolarHBondContact O-N 2.94Å; Q188-R192 VanDerWaalsContact O-N 3.15Å; R189-R192 WeakPolarHBondContact O-CD 3.32Å; R189-R192 VanDerWaalsContact O-CG 3.29Å; R189-R192 WeakPolarHBondContact O-CG 3.42Å; R189-R192 PolarHBondContact O-NH1 3.2Å; K190-R192 VanDerWaalsContact C-N 3.35Å; K190-R192 PolarHBondContact O-N 3.18Å; R192-F196 VanDerWaalsContact O-CD2 3.27Å; R192-F196 WeakPolarHBondContact O-CD2 3.5Å; R192-F196 WeakPolarHBondContact O-CE2 3.36Å
193Y92.4Very high77.2Confident104 Ų10482.5 Ų82.541%0.40842%0.417SS..THydrogen-bonded Turntrans-84.6-3.3-179.9-53.7-68.6000114.9Y161 K164 L191 G195 F196Y161-Y193 WeakPolarHBondContact OH-CA 3.41Å; Y161-Y193 WeakPolarHBondContact OH-CB 3.26Å; Y161-Y193 PolarHBondContact OH-N 3.21Å; K164-Y193 PolarHBondContact NZ-O 2.73Å; L191-Y193 PolarHBondContact O-N 3.24Å; Y193-G195 VanDerWaalsContact C-N 3.29Å; Y193-G195 PolarHBondContact O-N 2.78Å; Y193-F196 AromaticContact CD1-CD2 3.99Å; Y193-F196 HydrophobicContact CD1-CD2 3.99Å; Y193-F196 AromaticContact CD1-CE2 3.94Å; Y193-F196 HydrophobicContact CD1-CE2 3.94Å; Y193-F196 HydrophobicContact CD1-CG 4.36Å; Y193-F196 HydrophobicContact CD1-CZ 4.29Å; Y193-F196 PolarHBondContact O-N 3.23Å
194I91.4Very high74.3Confident5 Ų588.7 Ų88.73%0.02646%0.455CS..THydrogen-bonded Turntrans-67.6-31.6178.3-66.2-156.2000111.7Y137 L160 Y161 K164 T176 I180 L191 F196Y137-I194 HydrophobicContact CE1-CD1 4.49Å; Y137-I194 WeakPolarHBondContact OH-CD1 3.23Å; L160-I194 HydrophobicContact CB-CD1 3.97Å; Y161-I194 HydrophobicContact CD1-CD1 4.27Å; Y161-I194 HydrophobicContact CD1-CG1 3.82Å; Y161-I194 HydrophobicContact CE1-CD1 4.23Å; Y161-I194 HydrophobicContact CE1-CG1 3.39Å; K164-I194 HydrophobicContact CD-CB 4.38Å; K164-I194 HydrophobicContact CD-CG1 4.42Å; K164-I194 HydrophobicContact CD-CG2 4.26Å; K164-I194 WeakPolarHBondContact CE-O 3.4Å; K164-I194 VanDerWaalsContact NZ-C 3.33Å; K164-I194 PolarHBondContact NZ-O 2.73Å; T176-I194 HydrophobicContact CG2-CG2 4.15Å; I180-I194 HydrophobicContact CD1-CB 3.81Å; I180-I194 HydrophobicContact CD1-CG2 3.81Å; L191-I194 HydrophobicContact CB-CD1 4.35Å; L191-I194 HydrophobicContact CB-CG1 4.35Å; L191-I194 HydrophobicContact CD2-CD1 3.67Å; L191-I194 HydrophobicContact CD2-CG1 4.36Å; L191-I194 WeakPolarHBondContact O-CB 3.43Å; L191-I194 WeakPolarHBondContact O-CG1 3.31Å; L191-I194 PolarHBondContact O-N 3.26Å; I194-F196 VanDerWaalsContact C-N 3.34Å; I194-F196 PolarHBondContact O-N 3.38Å
195G78.7Confident71.4Confident12 Ų1293 Ų9312%0.12449%0.486CS..THydrogen-bonded Turntrans-81.5-2.7175.400000115.6R173 D177 Y193R173-G195 PolarHBondContact NE-O 3.19Å; D177-G195 WeakPolarHBondContact OD1-CA 3.48Å; Y193-G195 VanDerWaalsContact C-N 3.29Å; Y193-G195 PolarHBondContact O-N 2.78Å
196F77.7Confident68.3Low123 Ų12396.2 Ų96.254%0.53950%0.498SS..SBendtrans-84.4131.5-177.9-77.5-109.5000111.2K164 R192 Y193 I194K164-F196 PolarHBondContact NZ-O 2.94Å; R192-F196 VanDerWaalsContact O-CD2 3.27Å; R192-F196 WeakPolarHBondContact O-CD2 3.5Å; R192-F196 WeakPolarHBondContact O-CE2 3.36Å; Y193-F196 AromaticContact CD1-CD2 3.99Å; Y193-F196 HydrophobicContact CD1-CD2 3.99Å; Y193-F196 AromaticContact CD1-CE2 3.94Å; Y193-F196 HydrophobicContact CD1-CE2 3.94Å; Y193-F196 HydrophobicContact CD1-CG 4.36Å; Y193-F196 HydrophobicContact CD1-CZ 4.29Å; Y193-F196 PolarHBondContact O-N 3.23Å; I194-F196 VanDerWaalsContact C-N 3.34Å; I194-F196 PolarHBondContact O-N 3.38Å
197M62.3Low65.3Low146 Ų146102 Ų10272%0.71953%0.531SS*.PPolyproline II helixtrans-64.4138.8175.4-67.6-177.674.200110.8D170 S199D170-M197 WeakPolarHBondContact OD2-CA 3.46Å; M197-S199 PolarHBondContact O-N 3.04Å
198Q60.9Low62.4Low102 Ų102105.4 Ų105.448%0.47757%0.567SS.*PPolyproline II helixtrans-69.1117161-85-179.4-23.800107.6Y165 D170 D200Y165-Q198 HydrophobicContact CD1-CG 4.45Å; Y165-Q198 VanDerWaalsContact CD1-NE2 3.32Å; Y165-Q198 HydrophobicContact CE1-CG 4.4Å; D170-Q198 PolarHBondContact OD2-N 3.02Å; Q198-D200 PolarHBondContact O-N 2.94Å; Q198-D200 VanDerWaalsContact O-N 3.12Å
199S44.9Very low59.5Low103 Ų103115 Ų11572%0.7261%0.611SS**  trans-62.311516850.30000107.9M197 Q201M197-S199 PolarHBondContact O-N 3.04Å; S199-Q201 PolarHBondContact O-N 2.87Å
200D39.6Very low57.6Low131 Ų131112.8 Ų112.870%0.70161%0.612SS**  trans-48.4114.6171.4-88.2-36000109Q198 S202Q198-D200 PolarHBondContact O-N 2.94Å; Q198-D200 VanDerWaalsContact O-N 3.12Å; D200-S202 PolarHBondContact O-N 2.89Å
201Q36.8Very low55.5Low186 Ų186115.4 Ų115.487%0.86963%0.63SS**THydrogen-bonded Turntrans-71.422.1170.7-71.1-173.20.500112.2S199S199-Q201 PolarHBondContact O-N 2.87Å
202S35.1Very low53.3Low99 Ų99121.7 Ų121.769%0.69266%0.664SS**THydrogen-bonded Turntrans-102.81.1-170-46.90000114D200D200-S202 PolarHBondContact O-N 2.89Å
203T32.5Very low50.9Low123 Ų123121.4 Ų121.476%0.75568%0.675SS**SBendtrans-124.719.8-173.933.40000115.8
204V36.3Very low48.3Very low135 Ų135122.5 Ų122.582%0.81869%0.692SS**SBendtrans-92.14.4173.5-172.10000113.2
205V36.1Very low45.4Very low135 Ų135130.3 Ų130.382%0.81874%0.736SS**SBendtrans-116.371.8173.9-166.70000110.2
206N33.3Very low43.1Very low160 Ų160138.8 Ų138.886%0.85678%0.78SS**  trans-170.357.4154.4-101.3-17.5000111.3
207V34.3Very low40.4Very low155 Ų155140 Ų14094%0.93980%0.799SS**SBendtrans-138.293.8157.2-174.20000106.8
208G37.7Very low38.6Very low72 Ų72139.5 Ų139.574%0.74281%0.805SS**  trans138.269.9171.800000114.1
209Q35.4Very low36.6Very low273 Ų273142.9 Ų142.9100%1.27684%0.835SS**  trans-165.70141.1-104.817226.500109.7

Retrieved 209 of 209 residues in 282 ms (Link to these results)

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