A0A077ZK04_TRITR Loading...

BrkDBD and HTH Tnp Tc5 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZK04, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 149 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M66.6Low90.6Very high244 Ų244107.7 Ų107.7100%1.20250%0.497SS*.  0120.30-178.3-176.8-80.500109.9
2K81.2Confident91.2Very high198 Ų198102.1 Ų102.186%0.86147%0.473SS*.PPolyproline II helixtrans-82.6125.9177.9-166.5171.8-175.2173.70109.9K4K2-K4 PolarHBondContact O-N 3.49Å
3R86.1Confident91.7Very high249 Ų249102 Ų10294%0.9447%0.473SS*.PPolyproline II helixtrans-63.5127.3175.8-71.5-178.3174175-1.9109.8
4K89.6Confident92.2Very high163 Ų16394.7 Ų94.771%0.70944%0.439SS*.PPolyproline II helixtrans-88.8146.6173.8-67.3-175.2178.8-178.10110.6K2 Y6K2-K4 PolarHBondContact O-N 3.49Å; K4-Y6 HydrophobicContact CB-CE2 3.73Å; K4-Y6 VanDerWaalsContact CD-OH 3.26Å; K4-Y6 WeakPolarHBondContact CD-OH 3.28Å
5S91.9Very high92.6Very high76 Ų7688.5 Ų88.553%0.53141%0.411SS..  trans-128.6143.4172.477.40000110.2H55S5-H55 PolarHBondContact OG-ND1 2.98Å
6Y95.3Very high92.9Very high37 Ų3791.3 Ų91.315%0.14542%0.421CS..  trans-126.2137.9-171.9-58.2-91.5000110.3K4 F10 K11 V32 M36 W40 H55K4-Y6 HydrophobicContact CB-CE2 3.73Å; K4-Y6 VanDerWaalsContact CD-OH 3.26Å; K4-Y6 WeakPolarHBondContact CD-OH 3.28Å; Y6-F10 AromaticContact CD1-CD1 3.51Å; Y6-F10 HydrophobicContact CD1-CD1 3.51Å; Y6-F10 AromaticContact CD1-CE1 3.27Å; Y6-F10 HydrophobicContact CD1-CE1 3.27Å; Y6-F10 HydrophobicContact CD1-CG 4.45Å; Y6-F10 HydrophobicContact CD1-CZ 4.07Å; Y6-F10 HydrophobicContact CE1-CD1 4.41Å; Y6-F10 AromaticContact CE1-CE1 3.74Å; Y6-F10 HydrophobicContact CE1-CE1 3.74Å; Y6-F10 HydrophobicContact CE1-CZ 4.23Å; Y6-F10 HydrophobicContact CG-CD1 4.05Å; Y6-F10 HydrophobicContact CG-CE1 4.11Å; Y6-K11 WeakPolarHBondContact O-CE 3.46Å; Y6-V32 HydrophobicContact CE1-CG1 3.84Å; Y6-M36 HydrophobicContact CD2-CE 3.59Å; Y6-M36 HydrophobicContact CE2-CE 3.12Å; Y6-M36 HydrophobicContact CE2-SD 4.41Å; Y6-W40 HydrophobicContact CD1-CH2 4.1Å; Y6-W40 AromaticContact CD2-CH2 3.8Å; Y6-W40 HydrophobicContact CD2-CH2 3.8Å; Y6-W40 AromaticContact CD2-CZ2 3.65Å; Y6-W40 HydrophobicContact CD2-CZ2 3.65Å; Y6-W40 HydrophobicContact CE1-CH2 4.47Å; Y6-W40 HydrophobicContact CE2-CH2 4.23Å; Y6-W40 HydrophobicContact CE2-CZ2 4.29Å; Y6-W40 AromaticContact CG-CH2 3.72Å; Y6-W40 HydrophobicContact CG-CH2 3.72Å; Y6-W40 AromaticContact CG-CZ2 3.89Å; Y6-W40 HydrophobicContact CG-CZ2 3.89Å; Y6-H55 WeakPolarHBondContact O-CA 3.41Å
7K96.5Very high93.2Very high113 Ų11387.5 Ų87.549%0.49140%0.404SS..  trans-63.6146.2173.9-70177.7-178.51730110.5G9 F10 K11 H55K7-G9 PolarHBondContact O-N 3.09Å; K7-F10 HydrophobicContact CB-CB 4.44Å; K7-F10 WeakPolarHBondContact O-CB 3.37Å; K7-F10 PolarHBondContact O-N 3.37Å; K7-F10 VanDerWaalsContact O-N 3.12Å; K7-K11 WeakPolarHBondContact O-CG 3.42Å; K7-K11 PolarHBondContact O-N 3.04Å; K7-K11 VanDerWaalsContact O-N 3.07Å; K7-H55 WeakPolarHBondContact CG-NE2 3.26Å
8A96.1Very high93.5Very high0 Ų082.7 Ų82.70%038%0.382CS..Hα-helixtrans-56.7-39.1177.200000112F10 K11 L12 L47 M50 K52 Q54A8-F10 PolarHBondContact O-N 3.28Å; A8-K11 PolarHBondContact O-N 3.46Å; A8-L12 WeakPolarHBondContact O-CG 3.4Å; A8-L12 PolarHBondContact O-N 3.26Å; A8-L47 HydrophobicContact CB-CD2 4.4Å; A8-M50 HydrophobicContact CB-CB 4.04Å; A8-M50 HydrophobicContact CB-CE 4.34Å; A8-K52 PolarHBondContact N-O 2.7Å; A8-Q54 WeakPolarHBondContact CB-O 3.23Å; A8-Q54 PolarHBondContact N-O 3.25Å
9G97.2Very high93.7Very high22 Ų2284.2 Ų84.223%0.22739%0.388CS..Hα-helixtrans-59.6-44.4175.500000113.1K7 L12 E13 K52K7-G9 PolarHBondContact O-N 3.09Å; G9-L12 PolarHBondContact O-N 3.11Å; G9-E13 PolarHBondContact O-N 3.49Å; G9-K52 PolarHBondContact N-O 3.22Å
10F97.8Very high93.9Very high56 Ų5686.3 Ų86.325%0.24640%0.398CS..Hα-helixtrans-62.4-45.2175.4175.2-91.7000111.5Y6 K7 A8 L12 E13 V14 Y30 V32 W40Y6-F10 AromaticContact CD1-CD1 3.51Å; Y6-F10 HydrophobicContact CD1-CD1 3.51Å; Y6-F10 AromaticContact CD1-CE1 3.27Å; Y6-F10 HydrophobicContact CD1-CE1 3.27Å; Y6-F10 HydrophobicContact CD1-CG 4.45Å; Y6-F10 HydrophobicContact CD1-CZ 4.07Å; Y6-F10 HydrophobicContact CE1-CD1 4.41Å; Y6-F10 AromaticContact CE1-CE1 3.74Å; Y6-F10 HydrophobicContact CE1-CE1 3.74Å; Y6-F10 HydrophobicContact CE1-CZ 4.23Å; Y6-F10 HydrophobicContact CG-CD1 4.05Å; Y6-F10 HydrophobicContact CG-CE1 4.11Å; K7-F10 HydrophobicContact CB-CB 4.44Å; K7-F10 WeakPolarHBondContact O-CB 3.37Å; K7-F10 PolarHBondContact O-N 3.37Å; K7-F10 VanDerWaalsContact O-N 3.12Å; A8-F10 PolarHBondContact O-N 3.28Å; F10-L12 VanDerWaalsContact C-N 3.28Å; F10-L12 PolarHBondContact O-N 2.85Å; F10-E13 WeakPolarHBondContact O-CB 3.44Å; F10-E13 PolarHBondContact O-N 2.68Å; F10-V14 HydrophobicContact CD1-CG2 4.06Å; F10-V14 HydrophobicContact CE1-CG2 3.68Å; F10-V14 HydrophobicContact CE2-CG2 4.38Å; F10-V14 HydrophobicContact CZ-CG2 3.88Å; F10-V14 VanDerWaalsContact O-CG2 3.31Å; F10-V14 WeakPolarHBondContact O-CG2 3.29Å; F10-V14 PolarHBondContact O-N 3.13Å; F10-Y30 AromaticContact CE2-CD1 3.79Å; F10-Y30 HydrophobicContact CE2-CD1 3.79Å; F10-Y30 HydrophobicContact CE2-CE1 4.47Å; F10-Y30 HydrophobicContact CZ-CD1 4.05Å; F10-Y30 HydrophobicContact CZ-CG 4.39Å; F10-V32 HydrophobicContact CE1-CG1 4.02Å; F10-V32 HydrophobicContact CZ-CG1 4.22Å; F10-W40 HydrophobicContact CD1-CH2 4.27Å; F10-W40 HydrophobicContact CD1-CZ3 4.31Å; F10-W40 AromaticContact CE1-CH2 3.99Å; F10-W40 HydrophobicContact CE1-CH2 3.99Å; F10-W40 HydrophobicContact CE1-CZ3 4Å
11K97.8Very high94Very high27 Ų2785 Ų8512%0.11740%0.396CS..Hα-helixtrans-59.3-41.2177.4-61.5177.8-177.3166.70111.6Y6 K7 A8 V14 V15 W40 L47 H55Y6-K11 WeakPolarHBondContact O-CE 3.46Å; K7-K11 WeakPolarHBondContact O-CG 3.42Å; K7-K11 PolarHBondContact O-N 3.04Å; K7-K11 VanDerWaalsContact O-N 3.07Å; A8-K11 PolarHBondContact O-N 3.46Å; K11-V14 PolarHBondContact O-N 3.22Å; K11-V15 VanDerWaalsContact O-CG2 3.26Å; K11-V15 WeakPolarHBondContact O-CG2 3.15Å; K11-V15 PolarHBondContact O-N 3.33Å; K11-W40 HydrophobicContact CB-CD2 3.87Å; K11-W40 HydrophobicContact CB-CE3 4.04Å; K11-W40 HydrophobicContact CB-CG 4.09Å; K11-W40 HydrophobicContact CD-CD2 4.07Å; K11-W40 HydrophobicContact CD-CG 4.16Å; K11-W40 HydrophobicContact CD-CZ2 4.14Å; K11-W40 HydrophobicContact CG-CD2 3.65Å; K11-W40 HydrophobicContact CG-CE3 3.99Å; K11-W40 HydrophobicContact CG-CG 4.13Å; K11-W40 HydrophobicContact CG-CH2 4.08Å; K11-W40 HydrophobicContact CG-CZ2 3.74Å; K11-W40 HydrophobicContact CG-CZ3 4.2Å; K11-L47 HydrophobicContact CB-CD1 3.86Å; K11-L47 HydrophobicContact CB-CD2 4.31Å; K11-L47 HydrophobicContact CD-CD1 4.37Å; K11-L47 HydrophobicContact CD-CD2 3.73Å; K11-H55 PolarHBondContact NZ-O 2.65Å
12L98Very high95.5Very high40 Ų4076.5 Ų76.521%0.20936%0.356CS..Hα-helixtrans-65.4-38.5176.9-74.5169.1000112.3A8 G9 F10 V15 K16 E44 L47 K48A8-L12 WeakPolarHBondContact O-CG 3.4Å; A8-L12 PolarHBondContact O-N 3.26Å; G9-L12 PolarHBondContact O-N 3.11Å; F10-L12 VanDerWaalsContact C-N 3.28Å; F10-L12 PolarHBondContact O-N 2.85Å; L12-V15 PolarHBondContact O-N 3.04Å; L12-K16 WeakPolarHBondContact O-CB 3.46Å; L12-K16 PolarHBondContact O-N 3.14Å; L12-E44 HydrophobicContact CD2-CG 4.47Å; L12-L47 HydrophobicContact CD2-CB 3.81Å; L12-L47 HydrophobicContact CG-CB 4.09Å; L12-K48 HydrophobicContact CD2-CG 3.96Å
13E97.9Very high96.2Very high101 Ų10168.5 Ų68.547%0.47232%0.322SS..Hα-helixtrans-63-45.2174.8-162.8-164.8144.900111.6G9 F10 V15 K16 M17 Y30G9-E13 PolarHBondContact O-N 3.49Å; F10-E13 WeakPolarHBondContact O-CB 3.44Å; F10-E13 PolarHBondContact O-N 2.68Å; E13-V15 VanDerWaalsContact C-N 3.31Å; E13-V15 PolarHBondContact O-N 3.11Å; E13-K16 WeakPolarHBondContact O-CB 3.37Å; E13-K16 PolarHBondContact O-N 3.11Å; E13-M17 PolarHBondContact O-N 3.07Å; E13-Y30 HydrophobicContact CG-CE1 4.48Å; E13-Y30 WeakPolarHBondContact CG-OH 3.26Å; E13-Y30 VanDerWaalsContact OE1-CE1 3.32Å; E13-Y30 WeakPolarHBondContact OE1-CE1 3.46Å; E13-Y30 PolarHBondContact OE1-OH 2.9Å
14V98.3Very high96.8Very high0 Ų058.6 Ų58.60%029%0.294CS..Hα-helixtrans-60.8-41.5174.71760000111.1F10 K11 A18 A26 Y30 V32 V37 W40F10-V14 HydrophobicContact CD1-CG2 4.06Å; F10-V14 HydrophobicContact CE1-CG2 3.68Å; F10-V14 HydrophobicContact CE2-CG2 4.38Å; F10-V14 HydrophobicContact CZ-CG2 3.88Å; F10-V14 VanDerWaalsContact O-CG2 3.31Å; F10-V14 WeakPolarHBondContact O-CG2 3.29Å; F10-V14 PolarHBondContact O-N 3.13Å; K11-V14 PolarHBondContact O-N 3.22Å; V14-A18 VanDerWaalsContact O-CB 3.3Å; V14-A18 WeakPolarHBondContact O-CB 3.45Å; V14-A18 PolarHBondContact O-N 3.06Å; V14-A26 HydrophobicContact CG1-CB 4.43Å; V14-Y30 HydrophobicContact CB-CD2 4.28Å; V14-Y30 HydrophobicContact CG1-CD2 4.32Å; V14-Y30 HydrophobicContact CG2-CD1 3.95Å; V14-Y30 HydrophobicContact CG2-CD2 3.71Å; V14-Y30 HydrophobicContact CG2-CE1 4.38Å; V14-Y30 HydrophobicContact CG2-CE2 4.16Å; V14-Y30 HydrophobicContact CG2-CG 3.59Å; V14-V32 HydrophobicContact CG1-CG2 4.29Å; V14-V37 HydrophobicContact CG1-CB 4.48Å; V14-V37 HydrophobicContact CG1-CG1 4.21Å; V14-V37 HydrophobicContact CG1-CG2 3.84Å; V14-W40 HydrophobicContact CB-CE3 4.11Å; V14-W40 HydrophobicContact CB-CZ3 4.13Å; V14-W40 HydrophobicContact CG1-CE3 3.97Å; V14-W40 HydrophobicContact CG1-CZ3 4.03Å; V14-W40 HydrophobicContact CG2-CZ3 4.05Å
15V98.1Very high97.2Very high2 Ų254.9 Ų54.91%0.01228%0.279CS..Hα-helixtrans-63.7-42.6175.8165.40000111.4K11 L12 E13 A18 K19 W40 R41 E44K11-V15 VanDerWaalsContact O-CG2 3.26Å; K11-V15 WeakPolarHBondContact O-CG2 3.15Å; K11-V15 PolarHBondContact O-N 3.33Å; L12-V15 PolarHBondContact O-N 3.04Å; E13-V15 VanDerWaalsContact C-N 3.31Å; E13-V15 PolarHBondContact O-N 3.11Å; V15-A18 PolarHBondContact O-N 2.83Å; V15-K19 WeakPolarHBondContact O-CG 3.43Å; V15-K19 PolarHBondContact O-N 3.4Å; V15-W40 HydrophobicContact CG2-CB 3.77Å; V15-R41 HydrophobicContact CB-CG 4.43Å; V15-R41 HydrophobicContact CG1-CG 4.14Å; V15-R41 HydrophobicContact CG2-CG 3.98Å; V15-E44 HydrophobicContact CG1-CB 4.33Å; V15-E44 HydrophobicContact CG1-CG 4Å
16K98.1Very high97.4Very high132 Ų13251.2 Ų51.257%0.57425%0.253SS*.Hα-helixtrans-58.3-52.7176.3-179.6-179.4172.2-1780110.7L12 E13 A18 K19 E20L12-K16 WeakPolarHBondContact O-CB 3.46Å; L12-K16 PolarHBondContact O-N 3.14Å; E13-K16 WeakPolarHBondContact O-CB 3.37Å; E13-K16 PolarHBondContact O-N 3.11Å; K16-A18 VanDerWaalsContact C-N 3.3Å; K16-A18 PolarHBondContact O-N 3.13Å; K16-K19 WeakPolarHBondContact O-CB 3.31Å; K16-K19 PolarHBondContact O-N 3.27Å; K16-K19 VanDerWaalsContact O-N 3.1Å; K16-E20 WeakPolarHBondContact CE-OE1 3.46Å; K16-E20 WeakPolarHBondContact CG-OE1 3.29Å; K16-E20 IonicContact NZ-OE1 2.72Å; K16-E20 PolarHBondContact O-N 3.45Å
17M98Very high97.6Very high28 Ų2850 Ų5014%0.13825%0.251CS..Hα-helixtrans-57.4-42.9176.4-176.874.4-11400112.2E13 K19 E20 T21 A26 K29 Y30E13-M17 PolarHBondContact O-N 3.07Å; M17-K19 VanDerWaalsContact C-N 3.25Å; M17-K19 PolarHBondContact O-N 3.03Å; M17-E20 PolarHBondContact O-N 2.98Å; M17-T21 HydrophobicContact CE-CG2 3.09Å; M17-T21 WeakPolarHBondContact CE-OG1 3.45Å; M17-T21 PolarHBondContact O-N 3.26Å; M17-T21 PolarHBondContact O-OG1 3.01Å; M17-A26 HydrophobicContact CB-CB 4.35Å; M17-A26 HydrophobicContact CG-CB 4.1Å; M17-K29 HydrophobicContact CG-CD 4.16Å; M17-K29 HydrophobicContact SD-CD 3.82Å; M17-K29 PolarHBondContact SD-NZ 3.35Å; M17-K29 VanDerWaalsContact SD-NZ 3.36Å; M17-Y30 HydrophobicContact CB-CE2 3.74Å; M17-Y30 HydrophobicContact CG-CE2 3.88Å
18A98Very high97.6Very high1 Ų153.9 Ų53.91%0.00826%0.262CS..Hα-helixtrans-67.3-24.8-179.500000113.6V14 V15 K16 A26 V37V14-A18 VanDerWaalsContact O-CB 3.3Å; V14-A18 WeakPolarHBondContact O-CB 3.45Å; V14-A18 PolarHBondContact O-N 3.06Å; V15-A18 PolarHBondContact O-N 2.83Å; K16-A18 VanDerWaalsContact C-N 3.3Å; K16-A18 PolarHBondContact O-N 3.13Å; A18-A26 HydrophobicContact CB-CB 3.73Å; A18-V37 HydrophobicContact CB-CG1 3.53Å
19K97.6Very high97.7Very high111 Ų11160.5 Ų60.548%0.48329%0.291SS..Hα-helixtrans-78.7-38.1171.7-75.8-177.2169.9-1740112.4V15 K16 M17 T21 E44V15-K19 WeakPolarHBondContact O-CG 3.43Å; V15-K19 PolarHBondContact O-N 3.4Å; K16-K19 WeakPolarHBondContact O-CB 3.31Å; K16-K19 PolarHBondContact O-N 3.27Å; K16-K19 VanDerWaalsContact O-N 3.1Å; M17-K19 VanDerWaalsContact C-N 3.25Å; M17-K19 PolarHBondContact O-N 3.03Å; K19-T21 VanDerWaalsContact C-N 3.33Å; K19-E44 WeakPolarHBondContact CE-OE2 3.37Å; K19-E44 IonicContact NZ-OE1 2.62Å; K19-E44 PolarHBondContact NZ-OE1 3.41Å; K19-E44 IonicContact NZ-OE2 2.61Å; K19-E44 PolarHBondContact NZ-OE2 3.38Å
20E97.5Very high97.7Very high126 Ų12661.6 Ų61.659%0.58929%0.289SS*.Hα-helixtrans-73.4-24.6177.7-69.7168177.200112.8K16 M17K16-E20 WeakPolarHBondContact CE-OE1 3.46Å; K16-E20 WeakPolarHBondContact CG-OE1 3.29Å; K16-E20 IonicContact NZ-OE1 2.72Å; K16-E20 PolarHBondContact O-N 3.45Å; M17-E20 PolarHBondContact O-N 2.98Å
21T96.8Very high97.6Very high59 Ų5961.6 Ų61.636%0.36230%0.304SS..SBendtrans-127.9-102.6179.855.50000111.5M17 K19M17-T21 HydrophobicContact CE-CG2 3.09Å; M17-T21 WeakPolarHBondContact CE-OG1 3.45Å; M17-T21 PolarHBondContact O-N 3.26Å; M17-T21 PolarHBondContact O-OG1 3.01Å; K19-T21 VanDerWaalsContact C-N 3.33Å
22N96.8Very high97.5Very high66 Ų6660.8 Ų60.835%0.35330%0.302SS..  trans-157.1168.1172.460.565.4000110.4A24 Q25 A26N22-A24 VanDerWaalsContact C-N 3.26Å; N22-A24 PolarHBondContact O-N 3.12Å; N22-A24 WeakPolarHBondContact OD1-CB 3.35Å; N22-A24 PolarHBondContact OD1-N 2.95Å; N22-Q25 PolarHBondContact ND2-OE1 3.43Å; N22-Q25 PolarHBondContact O-N 2.91Å; N22-Q25 PolarHBondContact OD1-N 2.71Å; N22-A26 PolarHBondContact O-N 3.48Å; N22-A26 VanDerWaalsContact O-N 3.12Å
23N97.4Very high97.5Very high30 Ų3062.8 Ų62.816%0.1632%0.316CS..Hα-helixtrans-62.3-31.1-176.8-62.2-27.2000113.3A27 R34 V37 I38 R41N23-A27 VanDerWaalsContact O-CB 3.22Å; N23-A27 WeakPolarHBondContact O-CB 3.47Å; N23-A27 PolarHBondContact O-N 2.92Å; N23-R34 HydrophobicContact CB-CG 4.23Å; N23-V37 HydrophobicContact CB-CG1 4.12Å; N23-I38 HydrophobicContact CB-CG1 4.5Å; N23-R41 WeakPolarHBondContact OD1-CD 3.46Å; N23-R41 PolarHBondContact OD1-NH1 3.08Å
24A97.6Very high97.4Very high41 Ų4165.4 Ų65.434%0.33932%0.321SS..Hα-helixtrans-75.7-41-177.200000111.8N22 A27 R28N22-A24 VanDerWaalsContact C-N 3.26Å; N22-A24 PolarHBondContact O-N 3.12Å; N22-A24 WeakPolarHBondContact OD1-CB 3.35Å; N22-A24 PolarHBondContact OD1-N 2.95Å; A24-A27 PolarHBondContact O-N 3.32Å; A24-R28 WeakPolarHBondContact O-CG 3.42Å; A24-R28 PolarHBondContact O-N 3.46Å
25Q97.4Very high97.4Very high84 Ų8471.8 Ų71.839%0.39335%0.349SS..Hα-helixtrans-65.2-45.2173.7-77.4178.2-56.900111.5N22 A27 R28 K29N22-Q25 PolarHBondContact ND2-OE1 3.43Å; N22-Q25 PolarHBondContact O-N 2.91Å; N22-Q25 PolarHBondContact OD1-N 2.71Å; Q25-A27 VanDerWaalsContact C-N 3.35Å; Q25-A27 PolarHBondContact O-N 2.75Å; Q25-R28 PolarHBondContact O-N 2.65Å; Q25-K29 WeakPolarHBondContact O-CB 3.3Å; Q25-K29 PolarHBondContact O-N 3.23Å
26A98.1Very high97.3Very high0 Ų073.9 Ų73.90%036%0.359CS..Hα-helixtrans-60.1-43.7175.200000112.1V14 M17 A18 N22 R28 K29 Y30 V37V14-A26 HydrophobicContact CG1-CB 4.43Å; M17-A26 HydrophobicContact CB-CB 4.35Å; M17-A26 HydrophobicContact CG-CB 4.1Å; A18-A26 HydrophobicContact CB-CB 3.73Å; N22-A26 PolarHBondContact O-N 3.48Å; N22-A26 VanDerWaalsContact O-N 3.12Å; A26-R28 PolarHBondContact O-N 3.28Å; A26-K29 PolarHBondContact O-N 3.24Å; A26-Y30 VanDerWaalsContact O-CD2 3.31Å; A26-Y30 WeakPolarHBondContact O-CD2 3.45Å; A26-Y30 PolarHBondContact O-N 3.22Å; A26-V37 HydrophobicContact CB-CG1 4.22Å
27A98Very high97.3Very high11 Ų1167.6 Ų67.69%0.09133%0.332CS..Hα-helixtrans-57.9-48176.300000112.4N23 A24 Q25 G31 V32 R34 V37N23-A27 VanDerWaalsContact O-CB 3.22Å; N23-A27 WeakPolarHBondContact O-CB 3.47Å; N23-A27 PolarHBondContact O-N 2.92Å; A24-A27 PolarHBondContact O-N 3.32Å; Q25-A27 VanDerWaalsContact C-N 3.35Å; Q25-A27 PolarHBondContact O-N 2.75Å; A27-G31 PolarHBondContact O-N 3.29Å; A27-V32 CarbonylContact C-O 3.57Å; A27-V32 WeakPolarHBondContact CA-O 3.29Å; A27-V32 VanDerWaalsContact CB-O 3.29Å; A27-V32 WeakPolarHBondContact CB-O 3.49Å; A27-V32 PolarHBondContact O-N 3.2Å; A27-V32 VanDerWaalsContact O-N 3.15Å; A27-R34 HydrophobicContact CB-CB 4.33Å; A27-V37 HydrophobicContact CB-CG2 4.02Å
28R97.6Very high97.3Very high194 Ų19468.8 Ų68.873%0.73234%0.338SS*.Hα-helixtrans-62.3-49.5176.7-74-171.3-70.8-178.5-1.4112A24 Q25 A26 Y30 G31A24-R28 WeakPolarHBondContact O-CG 3.42Å; A24-R28 PolarHBondContact O-N 3.46Å; Q25-R28 PolarHBondContact O-N 2.65Å; A26-R28 PolarHBondContact O-N 3.28Å; R28-Y30 VanDerWaalsContact C-N 3.31Å; R28-Y30 PolarHBondContact O-N 3.14Å; R28-G31 PolarHBondContact O-N 2.96Å
29K97.6Very high97.3Very high139 Ų13971.1 Ų71.160%0.60435%0.351SS*.Hα-helixtrans-58.4-41.2-177.6-177.3176.4178.9179.60112.6M17 Q25 A26M17-K29 HydrophobicContact CG-CD 4.16Å; M17-K29 HydrophobicContact SD-CD 3.82Å; M17-K29 PolarHBondContact SD-NZ 3.35Å; M17-K29 VanDerWaalsContact SD-NZ 3.36Å; Q25-K29 WeakPolarHBondContact O-CB 3.3Å; Q25-K29 PolarHBondContact O-N 3.23Å; A26-K29 PolarHBondContact O-N 3.24Å
30Y97.1Very high97.3Very high45 Ų4566.6 Ų66.618%0.17633%0.331CS..Hα-helixtrans-100.82.3-173.6-69.8-77.5000114.5F10 E13 V14 M17 A26 R28 V32F10-Y30 AromaticContact CE2-CD1 3.79Å; F10-Y30 HydrophobicContact CE2-CD1 3.79Å; F10-Y30 HydrophobicContact CE2-CE1 4.47Å; F10-Y30 HydrophobicContact CZ-CD1 4.05Å; F10-Y30 HydrophobicContact CZ-CG 4.39Å; E13-Y30 HydrophobicContact CG-CE1 4.48Å; E13-Y30 WeakPolarHBondContact CG-OH 3.26Å; E13-Y30 VanDerWaalsContact OE1-CE1 3.32Å; E13-Y30 WeakPolarHBondContact OE1-CE1 3.46Å; E13-Y30 PolarHBondContact OE1-OH 2.9Å; V14-Y30 HydrophobicContact CB-CD2 4.28Å; V14-Y30 HydrophobicContact CG1-CD2 4.32Å; V14-Y30 HydrophobicContact CG2-CD1 3.95Å; V14-Y30 HydrophobicContact CG2-CD2 3.71Å; V14-Y30 HydrophobicContact CG2-CE1 4.38Å; V14-Y30 HydrophobicContact CG2-CE2 4.16Å; V14-Y30 HydrophobicContact CG2-CG 3.59Å; M17-Y30 HydrophobicContact CB-CE2 3.74Å; M17-Y30 HydrophobicContact CG-CE2 3.88Å; A26-Y30 VanDerWaalsContact O-CD2 3.31Å; A26-Y30 WeakPolarHBondContact O-CD2 3.45Å; A26-Y30 PolarHBondContact O-N 3.22Å; R28-Y30 VanDerWaalsContact C-N 3.31Å; R28-Y30 PolarHBondContact O-N 3.14Å; Y30-V32 VanDerWaalsContact C-N 3.27Å; Y30-V32 PolarHBondContact O-N 2.69Å
31G96Very high97.3Very high56 Ų5665 Ų6558%0.57732%0.319SS*.THydrogen-bonded Turntrans61.832.5-179.900000113.9A27 R28A27-G31 PolarHBondContact O-N 3.29Å; R28-G31 PolarHBondContact O-N 2.96Å
32V96.4Very high97.3Very high11 Ų1170.4 Ų70.47%0.06734%0.338CS..  trans-114.1157.7177.3-61.30000110.3Y6 F10 V14 A27 Y30 M36 V37 W40Y6-V32 HydrophobicContact CE1-CG1 3.84Å; F10-V32 HydrophobicContact CE1-CG1 4.02Å; F10-V32 HydrophobicContact CZ-CG1 4.22Å; V14-V32 HydrophobicContact CG1-CG2 4.29Å; A27-V32 CarbonylContact C-O 3.57Å; A27-V32 WeakPolarHBondContact CA-O 3.29Å; A27-V32 VanDerWaalsContact CB-O 3.29Å; A27-V32 WeakPolarHBondContact CB-O 3.49Å; A27-V32 PolarHBondContact O-N 3.2Å; A27-V32 VanDerWaalsContact O-N 3.15Å; Y30-V32 VanDerWaalsContact C-N 3.27Å; Y30-V32 PolarHBondContact O-N 2.69Å; V32-M36 HydrophobicContact CB-SD 4.36Å; V32-V37 HydrophobicContact CG2-CG2 3.65Å; V32-W40 HydrophobicContact CB-CZ3 4.48Å; V32-W40 HydrophobicContact CG1-CH2 3.98Å; V32-W40 HydrophobicContact CG1-CZ3 4.14Å; V32-W40 HydrophobicContact CG2-CZ3 4.29Å
33T96.4Very high97.2Very high82 Ų8271.6 Ų71.650%0.50334%0.341SS..  trans-73.6147.6178.669.60000110.6K35 M36 V37T33-K35 PolarHBondContact O-N 3.46Å; T33-K35 VanDerWaalsContact O-N 3.16Å; T33-M36 WeakPolarHBondContact O-CB 3.28Å; T33-M36 PolarHBondContact O-N 3.29Å; T33-M36 VanDerWaalsContact OG1-CG 3.25Å; T33-M36 WeakPolarHBondContact OG1-CG 3.48Å; T33-M36 PolarHBondContact OG1-N 2.94Å; T33-V37 PolarHBondContact O-N 2.84Å
34R97.1Very high97.1Very high155 Ų15571.5 Ų71.559%0.58534%0.34SS*.Hα-helixtrans-53.5-37176.2-174.5-176177.5-152.71112.3N23 A27 M36 V37 I38N23-R34 HydrophobicContact CB-CG 4.23Å; A27-R34 HydrophobicContact CB-CB 4.33Å; R34-M36 VanDerWaalsContact C-N 3.34Å; R34-M36 PolarHBondContact O-N 3.42Å; R34-V37 PolarHBondContact O-N 3.03Å; R34-I38 HydrophobicContact CG-CD1 4.15Å; R34-I38 WeakPolarHBondContact O-CG1 3.5Å; R34-I38 PolarHBondContact O-N 2.93Å; R34-I38 VanDerWaalsContact O-N 3.07Å
35K97.1Very high97Very high135 Ų13574.8 Ų74.859%0.58735%0.348SS*.Hα-helixtrans-57.4-44.6175.3176.8167.1171.545.50112T33 V37 I38 D39T33-K35 PolarHBondContact O-N 3.46Å; T33-K35 VanDerWaalsContact O-N 3.16Å; K35-V37 VanDerWaalsContact C-N 3.33Å; K35-V37 PolarHBondContact O-N 3.11Å; K35-I38 PolarHBondContact O-N 3.31Å; K35-D39 WeakPolarHBondContact CG-OD2 3.3Å; K35-D39 IonicContact NZ-OD1 3.58Å; K35-D39 IonicContact NZ-OD2 2.87Å; K35-D39 PolarHBondContact NZ-OD2 3.37Å; K35-D39 WeakPolarHBondContact O-CB 3.37Å; K35-D39 VanDerWaalsContact O-CG 3.26Å; K35-D39 PolarHBondContact O-N 2.96Å
36M97Very high96.8Very high46 Ų4672.3 Ų72.323%0.22734%0.342CS..Hα-helixtrans-62.9-40.3178.5-67.1172.873.300112.1Y6 V32 T33 R34 D39 W40Y6-M36 HydrophobicContact CD2-CE 3.59Å; Y6-M36 HydrophobicContact CE2-CE 3.12Å; Y6-M36 HydrophobicContact CE2-SD 4.41Å; V32-M36 HydrophobicContact CB-SD 4.36Å; T33-M36 WeakPolarHBondContact O-CB 3.28Å; T33-M36 PolarHBondContact O-N 3.29Å; T33-M36 VanDerWaalsContact OG1-CG 3.25Å; T33-M36 WeakPolarHBondContact OG1-CG 3.48Å; T33-M36 PolarHBondContact OG1-N 2.94Å; R34-M36 VanDerWaalsContact C-N 3.34Å; R34-M36 PolarHBondContact O-N 3.42Å; M36-D39 PolarHBondContact O-N 3.48Å; M36-W40 HydrophobicContact CB-CH2 4.39Å; M36-W40 HydrophobicContact CB-CZ2 4.23Å; M36-W40 HydrophobicContact CE-CH2 3.58Å; M36-W40 HydrophobicContact CE-CZ2 3.25Å; M36-W40 WeakPolarHBondContact O-CB 3.48Å; M36-W40 PolarHBondContact O-N 2.92Å
37V98Very high96.6Very high0 Ų072.4 Ų72.40%034%0.343CS..Hα-helixtrans-61.2-46.3176.3-176.20000110.8V14 A18 N23 A26 A27 V32 T33 R34 K35 W40 R41V14-V37 HydrophobicContact CG1-CB 4.48Å; V14-V37 HydrophobicContact CG1-CG1 4.21Å; V14-V37 HydrophobicContact CG1-CG2 3.84Å; A18-V37 HydrophobicContact CB-CG1 3.53Å; N23-V37 HydrophobicContact CB-CG1 4.12Å; A26-V37 HydrophobicContact CB-CG1 4.22Å; A27-V37 HydrophobicContact CB-CG2 4.02Å; V32-V37 HydrophobicContact CG2-CG2 3.65Å; T33-V37 PolarHBondContact O-N 2.84Å; R34-V37 PolarHBondContact O-N 3.03Å; K35-V37 VanDerWaalsContact C-N 3.33Å; K35-V37 PolarHBondContact O-N 3.11Å; V37-W40 PolarHBondContact O-N 3.27Å; V37-R41 WeakPolarHBondContact O-CG 3.21Å; V37-R41 PolarHBondContact O-N 3.37Å
38I98Very high96.5Very high52 Ų5277.1 Ų77.127%0.26736%0.361SS..Hα-helixtrans-60.2-48.9177.1-66.9165.7000110.6N23 R34 K35 W40 R41 K42N23-I38 HydrophobicContact CB-CG1 4.5Å; R34-I38 HydrophobicContact CG-CD1 4.15Å; R34-I38 WeakPolarHBondContact O-CG1 3.5Å; R34-I38 PolarHBondContact O-N 2.93Å; R34-I38 VanDerWaalsContact O-N 3.07Å; K35-I38 PolarHBondContact O-N 3.31Å; I38-W40 VanDerWaalsContact C-N 3.35Å; I38-W40 PolarHBondContact O-N 3.47Å; I38-R41 PolarHBondContact O-N 3.11Å; I38-K42 PolarHBondContact O-N 3.32Å
39D97.4Very high96.2Very high51 Ų5176.4 Ų76.427%0.27336%0.363SS..Hα-helixtrans-63.9-39.8-178.3-67.8-19.2000111.1K35 M36 K42 Q43K35-D39 WeakPolarHBondContact CG-OD2 3.3Å; K35-D39 IonicContact NZ-OD1 3.58Å; K35-D39 IonicContact NZ-OD2 2.87Å; K35-D39 PolarHBondContact NZ-OD2 3.37Å; K35-D39 WeakPolarHBondContact O-CB 3.37Å; K35-D39 VanDerWaalsContact O-CG 3.26Å; K35-D39 PolarHBondContact O-N 2.96Å; M36-D39 PolarHBondContact O-N 3.48Å; D39-K42 PolarHBondContact O-N 3.46Å; D39-Q43 WeakPolarHBondContact O-CB 3.48Å; D39-Q43 VanDerWaalsContact O-CG 3.28Å; D39-Q43 WeakPolarHBondContact O-CG 3.27Å; D39-Q43 PolarHBondContact O-N 3.02Å; D39-Q43 VanDerWaalsContact O-N 3.13Å
40W97.3Very high95.8Very high16 Ų1670.7 Ų70.76%0.06134%0.339CS..Hα-helixtrans-68.8-35.1176-64.9-17.3000113.3Y6 F10 K11 V14 V15 V32 M36 V37 I38 Q43 E44 L47Y6-W40 HydrophobicContact CD1-CH2 4.1Å; Y6-W40 AromaticContact CD2-CH2 3.8Å; Y6-W40 HydrophobicContact CD2-CH2 3.8Å; Y6-W40 AromaticContact CD2-CZ2 3.65Å; Y6-W40 HydrophobicContact CD2-CZ2 3.65Å; Y6-W40 HydrophobicContact CE1-CH2 4.47Å; Y6-W40 HydrophobicContact CE2-CH2 4.23Å; Y6-W40 HydrophobicContact CE2-CZ2 4.29Å; Y6-W40 AromaticContact CG-CH2 3.72Å; Y6-W40 HydrophobicContact CG-CH2 3.72Å; Y6-W40 AromaticContact CG-CZ2 3.89Å; Y6-W40 HydrophobicContact CG-CZ2 3.89Å; F10-W40 HydrophobicContact CD1-CH2 4.27Å; F10-W40 HydrophobicContact CD1-CZ3 4.31Å; F10-W40 AromaticContact CE1-CH2 3.99Å; F10-W40 HydrophobicContact CE1-CH2 3.99Å; F10-W40 HydrophobicContact CE1-CZ3 4Å; K11-W40 HydrophobicContact CB-CD2 3.87Å; K11-W40 HydrophobicContact CB-CE3 4.04Å; K11-W40 HydrophobicContact CB-CG 4.09Å; K11-W40 HydrophobicContact CD-CD2 4.07Å; K11-W40 HydrophobicContact CD-CG 4.16Å; K11-W40 HydrophobicContact CD-CZ2 4.14Å; K11-W40 HydrophobicContact CG-CD2 3.65Å; K11-W40 HydrophobicContact CG-CE3 3.99Å; K11-W40 HydrophobicContact CG-CG 4.13Å; K11-W40 HydrophobicContact CG-CH2 4.08Å; K11-W40 HydrophobicContact CG-CZ2 3.74Å; K11-W40 HydrophobicContact CG-CZ3 4.2Å; V14-W40 HydrophobicContact CB-CE3 4.11Å; V14-W40 HydrophobicContact CB-CZ3 4.13Å; V14-W40 HydrophobicContact CG1-CE3 3.97Å; V14-W40 HydrophobicContact CG1-CZ3 4.03Å; V14-W40 HydrophobicContact CG2-CZ3 4.05Å; V15-W40 HydrophobicContact CG2-CB 3.77Å; V32-W40 HydrophobicContact CB-CZ3 4.48Å; V32-W40 HydrophobicContact CG1-CH2 3.98Å; V32-W40 HydrophobicContact CG1-CZ3 4.14Å; V32-W40 HydrophobicContact CG2-CZ3 4.29Å; M36-W40 HydrophobicContact CB-CH2 4.39Å; M36-W40 HydrophobicContact CB-CZ2 4.23Å; M36-W40 HydrophobicContact CE-CH2 3.58Å; M36-W40 HydrophobicContact CE-CZ2 3.25Å; M36-W40 WeakPolarHBondContact O-CB 3.48Å; M36-W40 PolarHBondContact O-N 2.92Å; V37-W40 PolarHBondContact O-N 3.27Å; I38-W40 VanDerWaalsContact C-N 3.35Å; I38-W40 PolarHBondContact O-N 3.47Å; W40-Q43 CarbonylContact O-C 3.53Å; W40-Q43 PolarHBondContact O-N 3.5Å; W40-E44 PolarHBondContact O-N 3.11Å; W40-E44 VanDerWaalsContact O-N 3.08Å; W40-L47 HydrophobicContact CB-CD1 4.12Å
41R97.3Very high95.6Very high93 Ų9372.3 Ų72.335%0.35136%0.355SS..Hα-helixtrans-62.5-44.8172.6-76-17767.61752.1111.4V15 N23 V37 I38 Q43 E44V15-R41 HydrophobicContact CB-CG 4.43Å; V15-R41 HydrophobicContact CG1-CG 4.14Å; V15-R41 HydrophobicContact CG2-CG 3.98Å; N23-R41 WeakPolarHBondContact OD1-CD 3.46Å; N23-R41 PolarHBondContact OD1-NH1 3.08Å; V37-R41 WeakPolarHBondContact O-CG 3.21Å; V37-R41 PolarHBondContact O-N 3.37Å; I38-R41 PolarHBondContact O-N 3.11Å; R41-Q43 PolarHBondContact O-N 2.89Å; R41-E44 VanDerWaalsContact O-CB 3.31Å; R41-E44 WeakPolarHBondContact O-CB 3.45Å; R41-E44 PolarHBondContact O-N 3.34Å
42K97.2Very high95.4Very high171 Ų17177.3 Ų77.374%0.74336%0.361SS*.Hα-helixtrans-60.2-29.9174.5-69.9-179.1177.8-174.90112.5I38 D39I38-K42 PolarHBondContact O-N 3.32Å; D39-K42 PolarHBondContact O-N 3.46Å
43Q94.9Very high95.3Very high91 Ų9185.3 Ų85.343%0.42539%0.394SS..THydrogen-bonded Turntrans-968.3-178.3-67.1175.6-1500114D39 W40 R41 E45 A46 L47D39-Q43 WeakPolarHBondContact O-CB 3.48Å; D39-Q43 VanDerWaalsContact O-CG 3.28Å; D39-Q43 WeakPolarHBondContact O-CG 3.27Å; D39-Q43 PolarHBondContact O-N 3.02Å; D39-Q43 VanDerWaalsContact O-N 3.13Å; W40-Q43 CarbonylContact O-C 3.53Å; W40-Q43 PolarHBondContact O-N 3.5Å; R41-Q43 PolarHBondContact O-N 2.89Å; Q43-E45 PolarHBondContact O-N 2.99Å; Q43-A46 CarbonylContact O-C 3.43Å; Q43-A46 PolarHBondContact O-N 3.13Å; Q43-A46 VanDerWaalsContact O-N 3.14Å; Q43-L47 HydrophobicContact CB-CD1 4.44Å; Q43-L47 HydrophobicContact CB-CG 4.41Å; Q43-L47 WeakPolarHBondContact O-CG 3.42Å; Q43-L47 PolarHBondContact O-N 2.91Å
44E96.2Very high95.1Very high28 Ų2883.5 Ų83.513%0.13138%0.38CS..Hα-helixtrans-53.8-51.5-169.6179.4-176171.700113.1L12 V15 K19 W40 R41 A46 L47 K48L12-E44 HydrophobicContact CD2-CG 4.47Å; V15-E44 HydrophobicContact CG1-CB 4.33Å; V15-E44 HydrophobicContact CG1-CG 4Å; K19-E44 WeakPolarHBondContact CE-OE2 3.37Å; K19-E44 IonicContact NZ-OE1 2.62Å; K19-E44 PolarHBondContact NZ-OE1 3.41Å; K19-E44 IonicContact NZ-OE2 2.61Å; K19-E44 PolarHBondContact NZ-OE2 3.38Å; W40-E44 PolarHBondContact O-N 3.11Å; W40-E44 VanDerWaalsContact O-N 3.08Å; R41-E44 VanDerWaalsContact O-CB 3.31Å; R41-E44 WeakPolarHBondContact O-CB 3.45Å; R41-E44 PolarHBondContact O-N 3.34Å; E44-A46 PolarHBondContact O-N 3.29Å; E44-L47 CarbonylContact O-C 3.51Å; E44-L47 WeakPolarHBondContact O-CA 3.43Å; E44-L47 WeakPolarHBondContact O-CB 3.49Å; E44-L47 PolarHBondContact O-N 3.06Å; E44-K48 HydrophobicContact CG-CD 4.45Å; E44-K48 PolarHBondContact O-N 3.11Å; E44-K48 WeakPolarHBondContact OE1-CE 3.35Å; E44-K48 IonicContact OE1-NZ 3.36Å; E44-K48 PolarHBondContact OE1-NZ 3.45Å
45E95.6Very high94.8Very high111 Ų11179.3 Ų79.352%0.51937%0.367SS..Hα-helixtrans-58.8-39.5-177.8-69.2-49.8116.600112.1Q43 L47 K48 K49Q43-E45 PolarHBondContact O-N 2.99Å; E45-L47 VanDerWaalsContact C-N 3.34Å; E45-K48 PolarHBondContact O-N 3.18Å; E45-K48 IonicContact OE1-NZ 2.8Å; E45-K48 PolarHBondContact OE1-NZ 2.98Å; E45-K49 WeakPolarHBondContact O-CG 3.23Å; E45-K49 PolarHBondContact O-N 3.33Å
46A92.8Very high94.3Very high32 Ų3274.6 Ų74.626%0.26435%0.353SS..Hα-helixtrans-81.7-17.1179.500000111.9Q43 E44 M50 R57Q43-A46 CarbonylContact O-C 3.43Å; Q43-A46 PolarHBondContact O-N 3.13Å; Q43-A46 VanDerWaalsContact O-N 3.14Å; E44-A46 PolarHBondContact O-N 3.29Å; A46-M50 WeakPolarHBondContact O-CG 3.42Å; A46-R57 VanDerWaalsContact O-CZ 3.31Å; A46-R57 PolarHBondContact O-NE 2.6Å; A46-R57 PolarHBondContact O-NH2 3.31Å
47L94.3Very high93.5Very high2 Ų278.1 Ų78.11%0.0136%0.364CS..Hα-helixtrans-75.3-36.6167.3-73.1170.3000111.3A8 K11 L12 W40 Q43 E44 E45 K49 M50A8-L47 HydrophobicContact CB-CD2 4.4Å; K11-L47 HydrophobicContact CB-CD1 3.86Å; K11-L47 HydrophobicContact CB-CD2 4.31Å; K11-L47 HydrophobicContact CD-CD1 4.37Å; K11-L47 HydrophobicContact CD-CD2 3.73Å; L12-L47 HydrophobicContact CD2-CB 3.81Å; L12-L47 HydrophobicContact CG-CB 4.09Å; W40-L47 HydrophobicContact CB-CD1 4.12Å; Q43-L47 HydrophobicContact CB-CD1 4.44Å; Q43-L47 HydrophobicContact CB-CG 4.41Å; Q43-L47 WeakPolarHBondContact O-CG 3.42Å; Q43-L47 PolarHBondContact O-N 2.91Å; E44-L47 CarbonylContact O-C 3.51Å; E44-L47 WeakPolarHBondContact O-CA 3.43Å; E44-L47 WeakPolarHBondContact O-CB 3.49Å; E44-L47 PolarHBondContact O-N 3.06Å; E45-L47 VanDerWaalsContact C-N 3.34Å; L47-K49 VanDerWaalsContact C-N 3.27Å; L47-K49 PolarHBondContact O-N 2.86Å; L47-M50 HydrophobicContact CD2-SD 4.12Å; L47-M50 WeakPolarHBondContact O-CB 3.26Å; L47-M50 PolarHBondContact O-N 3.41Å; L47-M50 VanDerWaalsContact O-N 3.08Å
48K95.1Very high92.4Very high109 Ų10988.4 Ų88.447%0.47440%0.403SS..Hα-helixtrans-60.6-36174.1-71.4174.5-177.9159.40112.3L12 E44 E45 M50L12-K48 HydrophobicContact CD2-CG 3.96Å; E44-K48 HydrophobicContact CG-CD 4.45Å; E44-K48 PolarHBondContact O-N 3.11Å; E44-K48 WeakPolarHBondContact OE1-CE 3.35Å; E44-K48 IonicContact OE1-NZ 3.36Å; E44-K48 PolarHBondContact OE1-NZ 3.45Å; E45-K48 PolarHBondContact O-N 3.18Å; E45-K48 IonicContact OE1-NZ 2.8Å; E45-K48 PolarHBondContact OE1-NZ 2.98Å; K48-M50 PolarHBondContact O-N 3.34Å
49K91.5Very high91.1Very high180 Ų18090 Ų9078%0.78342%0.419SS*.THydrogen-bonded Turntrans-72.1-9.5175.4-65.7178-175.7-175.80114.1E45 L47E45-K49 WeakPolarHBondContact O-CG 3.23Å; E45-K49 PolarHBondContact O-N 3.33Å; L47-K49 VanDerWaalsContact C-N 3.27Å; L47-K49 PolarHBondContact O-N 2.86Å
50M89.8Confident89.9Confident18 Ų1890.5 Ų90.59%0.08944%0.436CS..SBendtrans-95.5143.3-179.2-69.8174.266.600112A8 A46 L47 K48 K52 Q54 R57A8-M50 HydrophobicContact CB-CB 4.04Å; A8-M50 HydrophobicContact CB-CE 4.34Å; A46-M50 WeakPolarHBondContact O-CG 3.42Å; L47-M50 HydrophobicContact CD2-SD 4.12Å; L47-M50 WeakPolarHBondContact O-CB 3.26Å; L47-M50 PolarHBondContact O-N 3.41Å; L47-M50 VanDerWaalsContact O-N 3.08Å; K48-M50 PolarHBondContact O-N 3.34Å; M50-K52 PolarHBondContact O-N 3.14Å; M50-Q54 HydrophobicContact CE-CB 4.02Å; M50-Q54 HydrophobicContact CE-CG 3.71Å; M50-R57 HydrophobicContact CE-CG 3.79Å; M50-R57 HydrophobicContact CG-CG 4.01Å; M50-R57 HydrophobicContact SD-CG 3.35Å; M50-R57 WeakPolarHBondContact SD-CG 3.39Å; M50-R57 PolarHBondContact SD-NE 3.12Å
51P91.5Very high89.1Confident80 Ų8094.9 Ų94.952%0.51946%0.464SS..  trans-51.6131.9164.6-25.231.5000111.9K53 Q54P51-K53 PolarHBondContact O-N 2.86Å; P51-Q54 HydrophobicContact CB-CB 4.29Å; P51-Q54 VanDerWaalsContact CD-OE1 3.27Å; P51-Q54 VanDerWaalsContact O-CB 3.28Å; P51-Q54 WeakPolarHBondContact O-CB 3.42Å; P51-Q54 PolarHBondContact O-N 3.32Å
52K93.5Very high88.5Confident161 Ų16191.3 Ų91.370%0.746%0.455SS*.THydrogen-bonded Turntrans-53.8-33.2-175.9-68.4-177.6178.81780113.8A8 G9 M50 Q54A8-K52 PolarHBondContact N-O 2.7Å; G9-K52 PolarHBondContact N-O 3.22Å; M50-K52 PolarHBondContact O-N 3.14Å; K52-Q54 VanDerWaalsContact C-N 3.33Å
53K93.6Very high88.1Confident178 Ų17887.6 Ų87.677%0.77445%0.451SS*.THydrogen-bonded Turntrans-78.1-12.6-179.8-63.5-178-179.4178.40113.5P51 H55P51-K53 PolarHBondContact O-N 2.86Å; K53-H55 PolarHBondContact O-CD2 3.45Å
54Q91.2Very high88Confident44 Ų4485.9 Ų85.921%0.20644%0.44CS..  trans-80.1136-175.3-170.9170.3-1300111.7A8 M50 P51 K52 A56A8-Q54 WeakPolarHBondContact CB-O 3.23Å; A8-Q54 PolarHBondContact N-O 3.25Å; M50-Q54 HydrophobicContact CE-CB 4.02Å; M50-Q54 HydrophobicContact CE-CG 3.71Å; P51-Q54 HydrophobicContact CB-CB 4.29Å; P51-Q54 VanDerWaalsContact CD-OE1 3.27Å; P51-Q54 VanDerWaalsContact O-CB 3.28Å; P51-Q54 WeakPolarHBondContact O-CB 3.42Å; P51-Q54 PolarHBondContact O-N 3.32Å; K52-Q54 VanDerWaalsContact C-N 3.33Å; Q54-A56 WeakPolarHBondContact CG-O 3.31Å; Q54-A56 PolarHBondContact NE2-O 3.05Å
55H92.2Very high87.8Confident68 Ų6886.8 Ų86.832%0.31545%0.448SS..  trans-89.7-32.2-177.7-74.5-124.3000113.4S5 Y6 K7 K11 K53S5-H55 PolarHBondContact OG-ND1 2.98Å; Y6-H55 WeakPolarHBondContact O-CA 3.41Å; K7-H55 WeakPolarHBondContact CG-NE2 3.26Å; K11-H55 PolarHBondContact NZ-O 2.65Å; K53-H55 PolarHBondContact O-CD2 3.45Å
56A85.1Confident87.8Confident35 Ų3586.2 Ų86.229%0.28945%0.446SS..SBendtrans-154.2155-174.500000111.2Q54 R58Q54-A56 WeakPolarHBondContact CG-O 3.31Å; Q54-A56 PolarHBondContact NE2-O 3.05Å; A56-R58 HydrophobicContact CB-CG 3.88Å; A56-R58 PolarHBondContact O-N 2.76Å
57R80.4Confident87.9Confident121 Ų12184.8 Ų84.846%0.45743%0.434SS..THydrogen-bonded Turntrans-81.653.5176.5-57.7-173-166.7132.520.2112A46 M50A46-R57 VanDerWaalsContact O-CZ 3.31Å; A46-R57 PolarHBondContact O-NE 2.6Å; A46-R57 PolarHBondContact O-NH2 3.31Å; M50-R57 HydrophobicContact CE-CG 3.79Å; M50-R57 HydrophobicContact CG-CG 4.01Å; M50-R57 HydrophobicContact SD-CG 3.35Å; M50-R57 WeakPolarHBondContact SD-CG 3.39Å; M50-R57 PolarHBondContact SD-NE 3.12Å
58R76.1Confident88Confident215 Ų21584.7 Ų84.781%0.81143%0.433SS*.THydrogen-bonded Turntrans-87.2-29.7179.6-59.5-173.9-143.2178.77.2112.6A56A56-R58 HydrophobicContact CB-CG 3.88Å; A56-R58 PolarHBondContact O-N 2.76Å
59S70.4Confident88Confident87 Ų8783.1 Ų83.161%0.60843%0.43SS*.SBendtrans-106.9143.2-176.956.50000110.7
60G71.7Confident88.2Confident60 Ų6076.7 Ų76.762%0.61941%0.407SS*.SBendtrans108-24.6172.200000114.2R121G60-R121 VanDerWaalsContact O-CD 3.31Å; G60-R121 WeakPolarHBondContact O-CD 3.34Å
61T79.9Confident88.5Confident108 Ų10876.2 Ų76.266%0.66340%0.404SS*.  trans-77.2128.1175.2-440000110.1
62A86.3Confident88.8Confident19 Ų1972.4 Ų72.416%0.15738%0.38CS..  trans-79138.1169.100000109.3W64 P65 E68A62-W64 VanDerWaalsContact C-N 3.26Å; A62-P65 HydrophobicContact CB-CB 4.33Å; A62-E68 VanDerWaalsContact CB-CD 3.48Å; A62-E68 HydrophobicContact CB-CG 4.46Å; A62-E68 WeakPolarHBondContact CB-OE2 3.39Å
63S87.9Confident88.9Confident93 Ų9370 Ų7065%0.6537%0.371SS*.SBendtrans-73.9-22.4171.7-56.10000112.4
64W93.6Very high89.1Confident54 Ų5463.8 Ų63.821%0.20534%0.343CS..  trans-131.965.1-179.5-57.6-79.6000110.6A62 E66 L67 E68 L104 F108A62-W64 VanDerWaalsContact C-N 3.26Å; W64-E66 VanDerWaalsContact C-N 3.26Å; W64-E66 PolarHBondContact O-N 3.22Å; W64-L67 HydrophobicContact CB-CB 3.91Å; W64-L67 PolarHBondContact O-N 2.92Å; W64-L67 VanDerWaalsContact O-N 3.16Å; W64-E68 WeakPolarHBondContact O-CG 3.42Å; W64-E68 PolarHBondContact O-N 3.48Å; W64-L104 VanDerWaalsContact CD1-O 3.29Å; W64-F108 HydrophobicContact CD2-CB 4.47Å; W64-F108 AromaticContact CD2-CD2 3.68Å; W64-F108 HydrophobicContact CD2-CD2 3.68Å; W64-F108 HydrophobicContact CD2-CE2 4.47Å; W64-F108 AromaticContact CE2-CD2 3.98Å; W64-F108 AromaticContact CE3-CD2 3.66Å; W64-F108 HydrophobicContact CE3-CD2 3.66Å; W64-F108 HydrophobicContact CE3-CE2 4.13Å; W64-F108 HydrophobicContact CG-CD2 4.23Å; W64-F108 HydrophobicContact CH2-CD2 4.27Å; W64-F108 HydrophobicContact CZ2-CB 4.24Å; W64-F108 HydrophobicContact CZ2-CD2 4.27Å; W64-F108 AromaticContact CZ3-CD2 3.97Å; W64-F108 HydrophobicContact CZ3-CD2 3.97Å; W64-F108 HydrophobicContact CZ3-CE2 4.48Å
65P92.5Very high89.3Confident47 Ų4761.7 Ų61.731%0.30533%0.333SS..Hα-helixtrans-61.3-34-177.622.9-28.6000112.8A62 L67 E68 N69A62-P65 HydrophobicContact CB-CB 4.33Å; P65-L67 PolarHBondContact O-N 3.02Å; P65-E68 PolarHBondContact O-N 3.34Å; P65-N69 WeakPolarHBondContact O-CB 3.11Å; P65-N69 PolarHBondContact O-N 3.49Å; P65-N69 PolarHBondContact O-ND2 3.36Å
66E94.1Very high89.5Confident100 Ų10063.6 Ų63.647%0.46734%0.337SS..Hα-helixtrans-64.6-28.6177-63.474.1-162.300112.3W64 P70 W97 L104W64-E66 VanDerWaalsContact C-N 3.26Å; W64-E66 PolarHBondContact O-N 3.22Å; E66-P70 WeakPolarHBondContact O-CD 3.28Å; E66-P70 WeakPolarHBondContact O-CG 3.42Å; E66-W97 HydrophobicContact CB-CH2 4.15Å; E66-W97 HydrophobicContact CB-CZ2 4.4Å; E66-W97 WeakPolarHBondContact O-CZ2 2.99Å; E66-L104 HydrophobicContact CB-CD1 4.22Å
67L95.9Very high89.9Confident1 Ų167.2 Ų67.21%0.00535%0.348CS..Hα-helixtrans-81.3-46.1171.4-179157.9000110.7W64 P65 N69 P70 L71 A94 W97 F108 W114W64-L67 HydrophobicContact CB-CB 3.91Å; W64-L67 PolarHBondContact O-N 2.92Å; W64-L67 VanDerWaalsContact O-N 3.16Å; P65-L67 PolarHBondContact O-N 3.02Å; L67-N69 PolarHBondContact O-N 2.99Å; L67-P70 WeakPolarHBondContact O-CD 3.31Å; L67-P70 WeakPolarHBondContact O-CG 3.44Å; L67-L71 HydrophobicContact CD2-CD2 4.16Å; L67-L71 VanDerWaalsContact O-CB 3.26Å; L67-L71 WeakPolarHBondContact O-CB 3.33Å; L67-L71 PolarHBondContact O-N 3.43Å; L67-A94 HydrophobicContact CD2-CB 4.13Å; L67-W97 HydrophobicContact CB-CD2 4.27Å; L67-W97 HydrophobicContact CB-CE3 3.73Å; L67-W97 HydrophobicContact CB-CH2 4.03Å; L67-W97 HydrophobicContact CB-CZ3 3.6Å; L67-W97 HydrophobicContact CD1-CE3 3.64Å; L67-W97 HydrophobicContact CD1-CZ3 4.02Å; L67-W97 HydrophobicContact CG-CD2 4.18Å; L67-W97 HydrophobicContact CG-CE3 3.69Å; L67-W97 HydrophobicContact CG-CZ3 4.08Å; L67-F108 HydrophobicContact CD1-CD1 3.8Å; L67-F108 HydrophobicContact CD1-CD2 4.1Å; L67-F108 HydrophobicContact CD1-CE1 3.63Å; L67-F108 HydrophobicContact CD1-CE2 3.97Å; L67-F108 HydrophobicContact CD1-CG 4.02Å; L67-F108 HydrophobicContact CD1-CZ 3.72Å; L67-F108 HydrophobicContact CD2-CE2 4.48Å; L67-F108 HydrophobicContact CD2-CZ 4.24Å; L67-W114 HydrophobicContact CD2-CH2 4Å; L67-W114 HydrophobicContact CD2-CZ2 3.5Å; L67-W114 VanDerWaalsContact CD2-CZ2 3.5Å
68E95.6Very high90.6Very high1 Ų163.6 Ų63.61%0.00534%0.337CS..Hα-helixtrans-71.2-31-171.6-72.4-173.2-157.800113.7A62 W64 P65 A72 W114 F118 R121 K122A62-E68 VanDerWaalsContact CB-CD 3.48Å; A62-E68 HydrophobicContact CB-CG 4.46Å; A62-E68 WeakPolarHBondContact CB-OE2 3.39Å; W64-E68 WeakPolarHBondContact O-CG 3.42Å; W64-E68 PolarHBondContact O-N 3.48Å; P65-E68 PolarHBondContact O-N 3.34Å; E68-A72 VanDerWaalsContact O-CB 3.27Å; E68-A72 WeakPolarHBondContact O-CB 3.39Å; E68-A72 PolarHBondContact O-N 3.13Å; E68-W114 HydrophobicContact CG-CZ2 4.26Å; E68-W114 PolarHBondContact OE1-NE1 2.89Å; E68-F118 HydrophobicContact CB-CD2 3.87Å; E68-F118 HydrophobicContact CB-CE2 4.02Å; E68-F118 HydrophobicContact CG-CD2 3.6Å; E68-F118 HydrophobicContact CG-CE2 4.19Å; E68-F118 HydrophobicContact CG-CG 4.5Å; E68-F118 WeakPolarHBondContact O-CE2 3.4Å; E68-R121 VanDerWaalsContact CD-NH2 3.27Å; E68-R121 IonicContact OE1-CZ 2.68Å; E68-R121 IonicContact OE1-NE 3.22Å; E68-R121 IonicContact OE1-NH2 3.41Å; E68-R121 PolarHBondContact OE1-NH2 3.48Å; E68-R121 IonicContact OE2-CZ 2.75Å; E68-R121 IonicContact OE2-NE 3.97Å; E68-R121 PolarHBondContact OE2-NE 3.22Å; E68-R121 IonicContact OE2-NH2 2.94Å; E68-R121 PolarHBondContact OE2-NH2 2.8Å; E68-K122 WeakPolarHBondContact O-CE 3.29Å
69N94.9Very high91.3Very high75 Ų7556 Ų5640%0.40131%0.308SS..Hα-helixtrans-62.6-61.3177.2-69-15.4000112.3P65 L67 L71 A72 E73 K122P65-N69 WeakPolarHBondContact O-CB 3.11Å; P65-N69 PolarHBondContact O-N 3.49Å; P65-N69 PolarHBondContact O-ND2 3.36Å; L67-N69 PolarHBondContact O-N 2.99Å; N69-L71 VanDerWaalsContact C-N 3.27Å; N69-L71 PolarHBondContact O-N 3.33Å; N69-A72 PolarHBondContact O-N 2.61Å; N69-A72 VanDerWaalsContact O-N 3.12Å; N69-E73 PolarHBondContact O-N 2.82Å; N69-E73 VanDerWaalsContact O-N 3.11Å; N69-K122 PolarHBondContact OD1-NZ 3.46Å
70P96Very high92.2Very high46 Ų4659.6 Ų59.630%0.29932%0.315SS..Hα-helixtrans-65.3-32.1-179.526.2-35.4000112.1E66 L67 E73 W74E66-P70 WeakPolarHBondContact O-CD 3.28Å; E66-P70 WeakPolarHBondContact O-CG 3.42Å; L67-P70 WeakPolarHBondContact O-CD 3.31Å; L67-P70 WeakPolarHBondContact O-CG 3.44Å; P70-E73 PolarHBondContact O-N 3.29Å; P70-W74 WeakPolarHBondContact O-CB 3.36Å; P70-W74 PolarHBondContact O-N 3.24Å
71L97Very high93.1Very high7 Ų760.4 Ų60.44%0.03731%0.311CS..Hα-helixtrans-63.5-42.7174.2-177.564.2000111.7L67 N69 E73 W74 V75 K93 A94 W114 F118L67-L71 HydrophobicContact CD2-CD2 4.16Å; L67-L71 VanDerWaalsContact O-CB 3.26Å; L67-L71 WeakPolarHBondContact O-CB 3.33Å; L67-L71 PolarHBondContact O-N 3.43Å; N69-L71 VanDerWaalsContact C-N 3.27Å; N69-L71 PolarHBondContact O-N 3.33Å; L71-E73 VanDerWaalsContact C-N 3.33Å; L71-E73 PolarHBondContact O-N 3.06Å; L71-W74 HydrophobicContact CD1-CE3 3.99Å; L71-W74 PolarHBondContact O-N 3.37Å; L71-V75 VanDerWaalsContact O-CG2 3.3Å; L71-V75 WeakPolarHBondContact O-CG2 3.15Å; L71-V75 PolarHBondContact O-N 3.36Å; L71-K93 HydrophobicContact CD1-CB 3.68Å; L71-K93 HydrophobicContact CD1-CG 3.5Å; L71-A94 HydrophobicContact CD2-CB 3.91Å; L71-W114 HydrophobicContact CD2-CH2 3.54Å; L71-W114 HydrophobicContact CD2-CZ2 4.15Å; L71-F118 HydrophobicContact CB-CE2 4.35Å; L71-F118 HydrophobicContact CB-CZ 4.13Å; L71-F118 HydrophobicContact CD2-CD1 4.29Å; L71-F118 HydrophobicContact CD2-CE1 3.75Å; L71-F118 HydrophobicContact CD2-CE2 4.05Å; L71-F118 HydrophobicContact CD2-CZ 3.62Å; L71-F118 HydrophobicContact CG-CE1 4.09Å; L71-F118 HydrophobicContact CG-CE2 4.28Å; L71-F118 HydrophobicContact CG-CZ 3.65Å
72A96.7Very high93.4Very high0 Ų058.1 Ų58.10%031%0.309CS..Hα-helixtrans-65.6-36.6177.700000112.3E68 N69 V75 R76 F118 K122E68-A72 VanDerWaalsContact O-CB 3.27Å; E68-A72 WeakPolarHBondContact O-CB 3.39Å; E68-A72 PolarHBondContact O-N 3.13Å; N69-A72 PolarHBondContact O-N 2.61Å; N69-A72 VanDerWaalsContact O-N 3.12Å; A72-V75 PolarHBondContact O-N 2.88Å; A72-R76 WeakPolarHBondContact O-CG 3.44Å; A72-R76 PolarHBondContact O-N 3.04Å; A72-R76 VanDerWaalsContact O-N 3.14Å; A72-F118 HydrophobicContact CB-CE2 4.15Å; A72-F118 HydrophobicContact CB-CZ 4.21Å; A72-K122 HydrophobicContact CB-CB 4.06Å; A72-K122 HydrophobicContact CB-CD 3.9Å; A72-K122 HydrophobicContact CB-CG 3.83Å
73E96.9Very high93.5Very high110 Ų11065.1 Ų65.151%0.51433%0.332SS..Hα-helixtrans-61.6-51172.2-71.8167.7177.400110.9N69 P70 L71 V75 R76 E77N69-E73 PolarHBondContact O-N 2.82Å; N69-E73 VanDerWaalsContact O-N 3.11Å; P70-E73 PolarHBondContact O-N 3.29Å; L71-E73 VanDerWaalsContact C-N 3.33Å; L71-E73 PolarHBondContact O-N 3.06Å; E73-V75 VanDerWaalsContact C-N 3.3Å; E73-V75 PolarHBondContact O-N 2.8Å; E73-R76 WeakPolarHBondContact O-CA 3.48Å; E73-R76 WeakPolarHBondContact O-CB 3.46Å; E73-R76 PolarHBondContact O-N 3.38Å; E73-E77 WeakPolarHBondContact O-CG 3.4Å; E73-E77 PolarHBondContact O-N 3.16Å
74W97.1Very high93.6Very high48 Ų4865.3 Ų65.318%0.18232%0.324CS..Hα-helixtrans-55.1-43.7175.7176.278.2000112.2P70 L71 R76 E77 Q78 V85 D89 K93P70-W74 WeakPolarHBondContact O-CB 3.36Å; P70-W74 PolarHBondContact O-N 3.24Å; L71-W74 HydrophobicContact CD1-CE3 3.99Å; L71-W74 PolarHBondContact O-N 3.37Å; W74-R76 VanDerWaalsContact C-N 3.29Å; W74-R76 PolarHBondContact O-N 2.94Å; W74-E77 PolarHBondContact O-N 3.35Å; W74-Q78 HydrophobicContact CD2-CG 4.01Å; W74-Q78 HydrophobicContact CE3-CG 4.44Å; W74-Q78 HydrophobicContact CH2-CG 4.13Å; W74-Q78 HydrophobicContact CZ2-CG 3.64Å; W74-Q78 VanDerWaalsContact O-CG 3.31Å; W74-Q78 WeakPolarHBondContact O-CG 3.2Å; W74-Q78 PolarHBondContact O-N 2.91Å; W74-V85 HydrophobicContact CH2-CG1 4.2Å; W74-V85 HydrophobicContact CZ3-CG1 3.81Å; W74-D89 HydrophobicContact CH2-CB 4.09Å; W74-K93 HydrophobicContact CD2-CD 4.03Å; W74-K93 HydrophobicContact CD2-CG 3.8Å; W74-K93 HydrophobicContact CE3-CB 4.18Å; W74-K93 HydrophobicContact CE3-CG 3.83Å; W74-K93 HydrophobicContact CG-CD 4.33Å; W74-K93 HydrophobicContact CG-CG 4.28Å; W74-K93 HydrophobicContact CH2-CB 4.22Å; W74-K93 HydrophobicContact CH2-CG 4.46Å; W74-K93 HydrophobicContact CZ2-CD 4.3Å; W74-K93 HydrophobicContact CZ2-CG 4.45Å; W74-K93 HydrophobicContact CZ3-CB 4.02Å; W74-K93 HydrophobicContact CZ3-CG 4.17Å
75V96.1Very high93.6Very high0 Ų063 Ų630%032%0.316CS..Hα-helixtrans-60.1-39.2175.8174.70000111.6L71 A72 E73 R79 V85 M90 L124L71-V75 VanDerWaalsContact O-CG2 3.3Å; L71-V75 WeakPolarHBondContact O-CG2 3.15Å; L71-V75 PolarHBondContact O-N 3.36Å; A72-V75 PolarHBondContact O-N 2.88Å; E73-V75 VanDerWaalsContact C-N 3.3Å; E73-V75 PolarHBondContact O-N 2.8Å; V75-R79 WeakPolarHBondContact O-CD 3.49Å; V75-R79 VanDerWaalsContact O-CG 3.26Å; V75-R79 WeakPolarHBondContact O-CG 3.38Å; V75-R79 PolarHBondContact O-N 3.06Å; V75-V85 HydrophobicContact CG1-CB 4.38Å; V75-V85 HydrophobicContact CG1-CG1 4.38Å; V75-V85 HydrophobicContact CG1-CG2 4.47Å; V75-V85 HydrophobicContact CG2-CG1 4.21Å; V75-M90 HydrophobicContact CG2-CG 3.73Å; V75-M90 HydrophobicContact CG2-SD 3.82Å; V75-L124 HydrophobicContact CB-CD1 4.28Å; V75-L124 HydrophobicContact CG1-CD1 4.1Å; V75-L124 HydrophobicContact CG1-CD2 4Å; V75-L124 HydrophobicContact CG2-CD1 4.3Å
76R94.7Very high93.6Very high109 Ų10963.6 Ų63.641%0.41132%0.319SS..Hα-helixtrans-69.6-42.2178.8-69.7177.2-167.4112.6-0.7111.5A72 E73 W74 R79 Q80A72-R76 WeakPolarHBondContact O-CG 3.44Å; A72-R76 PolarHBondContact O-N 3.04Å; A72-R76 VanDerWaalsContact O-N 3.14Å; E73-R76 WeakPolarHBondContact O-CA 3.48Å; E73-R76 WeakPolarHBondContact O-CB 3.46Å; E73-R76 PolarHBondContact O-N 3.38Å; W74-R76 VanDerWaalsContact C-N 3.29Å; W74-R76 PolarHBondContact O-N 2.94Å; R76-R79 PolarHBondContact O-N 3.32Å; R76-Q80 WeakPolarHBondContact O-CG 3.32Å; R76-Q80 PolarHBondContact O-N 3.41Å
77E95.2Very high93.7Very high110 Ų11062.8 Ų62.851%0.51431%0.312SS..Hα-helixtrans-61-47.3175.8-69.3169.6178.900111.8E73 W74 R79 Q80 S81E73-E77 WeakPolarHBondContact O-CG 3.4Å; E73-E77 PolarHBondContact O-N 3.16Å; W74-E77 PolarHBondContact O-N 3.35Å; E77-R79 PolarHBondContact O-N 3.19Å; E77-Q80 PolarHBondContact O-N 3.4Å; E77-Q80 VanDerWaalsContact O-N 3.12Å; E77-S81 PolarHBondContact O-N 3.41Å
78Q93.9Very high93.6Very high46 Ų4666.6 Ų66.622%0.21534%0.335CS..Hα-helixtrans-56.3-43.1176.1-69.2-52.3-64.300110.9W74 S81 G82 R83 V85W74-Q78 HydrophobicContact CD2-CG 4.01Å; W74-Q78 HydrophobicContact CE3-CG 4.44Å; W74-Q78 HydrophobicContact CH2-CG 4.13Å; W74-Q78 HydrophobicContact CZ2-CG 3.64Å; W74-Q78 VanDerWaalsContact O-CG 3.31Å; W74-Q78 WeakPolarHBondContact O-CG 3.2Å; W74-Q78 PolarHBondContact O-N 2.91Å; Q78-S81 PolarHBondContact O-N 2.93Å; Q78-S81 PolarHBondContact O-OG 3.4Å; Q78-G82 PolarHBondContact O-N 2.8Å; Q78-R83 HydrophobicContact CB-CB 4.39Å; Q78-R83 WeakPolarHBondContact O-CB 3.47Å; Q78-R83 PolarHBondContact O-N 3.43Å; Q78-V85 HydrophobicContact CB-CG2 3.34Å; Q78-V85 HydrophobicContact CG-CG2 3.98Å
79R90.6Very high93.6Very high54 Ų5469.4 Ų69.420%0.20435%0.35CS..Hα-helixtrans-67.1-38.1177.5-71.2169.3-178-171.2-1.5113.2V75 R76 E77 S81 G82 V125V75-R79 WeakPolarHBondContact O-CD 3.49Å; V75-R79 VanDerWaalsContact O-CG 3.26Å; V75-R79 WeakPolarHBondContact O-CG 3.38Å; V75-R79 PolarHBondContact O-N 3.06Å; R76-R79 PolarHBondContact O-N 3.32Å; E77-R79 PolarHBondContact O-N 3.19Å; R79-S81 VanDerWaalsContact C-N 3.26Å; R79-S81 PolarHBondContact O-N 3.31Å; R79-G82 PolarHBondContact O-N 3.09Å; R79-V125 PolarHBondContact NH2-O 3.42Å
80Q89.6Confident93.6Very high164 Ų16465.9 Ų65.977%0.76633%0.331SS*.Hα-helixtrans-63.5-34.5175-74.6172.6-5.900111.5R76 E77 G82R76-Q80 WeakPolarHBondContact O-CG 3.32Å; R76-Q80 PolarHBondContact O-N 3.41Å; E77-Q80 PolarHBondContact O-N 3.4Å; E77-Q80 VanDerWaalsContact O-N 3.12Å; Q80-G82 PolarHBondContact O-N 2.94Å
81S90.1Very high93.7Very high76 Ų7665.6 Ų65.653%0.53133%0.326SS..THydrogen-bonded Turntrans-76.43.7172.373.30000114.6E77 Q78 R79 R83E77-S81 PolarHBondContact O-N 3.41Å; Q78-S81 PolarHBondContact O-N 2.93Å; Q78-S81 PolarHBondContact O-OG 3.4Å; R79-S81 VanDerWaalsContact C-N 3.26Å; R79-S81 PolarHBondContact O-N 3.31Å; S81-R83 VanDerWaalsContact C-N 3.32Å; S81-R83 PolarHBondContact O-N 3.22Å
82G87.2Confident93.7Very high61 Ų6170 Ų7063%0.62935%0.349SS*.THydrogen-bonded Turntrans79.96.6-179.800000114.9Q78 R79 Q80Q78-G82 PolarHBondContact O-N 2.8Å; R79-G82 PolarHBondContact O-N 3.09Å; Q80-G82 PolarHBondContact O-N 2.94Å
83R88.7Confident93.7Very high166 Ų16674.1 Ų74.163%0.62637%0.367SS*.  trans-81.8137.1177.1-67177.5177.6-111.12111.1Q78 S81Q78-R83 HydrophobicContact CB-CB 4.39Å; Q78-R83 WeakPolarHBondContact O-CB 3.47Å; Q78-R83 PolarHBondContact O-N 3.43Å; S81-R83 VanDerWaalsContact C-N 3.32Å; S81-R83 PolarHBondContact O-N 3.22Å
84I89.6Confident93.7Very high96 Ų9668.9 Ų68.949%0.49234%0.343SS..  trans-78.3133170.9-57.5164.3000107.7
85V93.2Very high93.7Very high6 Ų670 Ų704%0.03635%0.351CS..  trans-112.3114.8176-175.20000109W74 V75 Q78 D89 M90W74-V85 HydrophobicContact CH2-CG1 4.2Å; W74-V85 HydrophobicContact CZ3-CG1 3.81Å; V75-V85 HydrophobicContact CG1-CB 4.38Å; V75-V85 HydrophobicContact CG1-CG1 4.38Å; V75-V85 HydrophobicContact CG1-CG2 4.47Å; V75-V85 HydrophobicContact CG2-CG1 4.21Å; Q78-V85 HydrophobicContact CB-CG2 3.34Å; Q78-V85 HydrophobicContact CG-CG2 3.98Å; V85-D89 HydrophobicContact CG1-CB 3.96Å; V85-M90 HydrophobicContact CG1-CG 3.72Å; V85-M90 HydrophobicContact CG1-SD 4.48Å
86T93.7Very high93.7Very high59 Ų5973.6 Ų73.636%0.36237%0.37SS..  trans-84.8172.117773.30000111.4T88 D89 M90T86-T88 VanDerWaalsContact C-N 3.32Å; T86-T88 PolarHBondContact OG1-N 3.41Å; T86-D89 WeakPolarHBondContact CA-OD2 3.39Å; T86-D89 VanDerWaalsContact CB-OD2 3.29Å; T86-D89 WeakPolarHBondContact CB-OD2 3.35Å; T86-D89 WeakPolarHBondContact CG2-OD2 3.43Å; T86-D89 PolarHBondContact N-OD2 3.34Å; T86-D89 PolarHBondContact O-N 2.87Å; T86-D89 PolarHBondContact OG1-N 3.32Å; T86-D89 PolarHBondContact OG1-OD2 3.46Å; T86-M90 WeakPolarHBondContact O-CE 3.48Å; T86-M90 PolarHBondContact O-N 3.08Å
87R94.4Very high93.8Very high84 Ų8471 Ų7132%0.31736%0.361SS..Hα-helixtrans-63.2-41.1173.2-70.1-173.1173.7159.1-0.1111.8D89 M90 Q91 H112 M119 L126R87-D89 VanDerWaalsContact C-N 3.32Å; R87-D89 PolarHBondContact O-N 3.41Å; R87-M90 HydrophobicContact CG-CE 4.31Å; R87-M90 PolarHBondContact O-N 3.27Å; R87-Q91 VanDerWaalsContact O-CG 3.29Å; R87-Q91 WeakPolarHBondContact O-CG 3.46Å; R87-Q91 PolarHBondContact O-N 3Å; R87-Q91 PolarHBondContact O-OE1 3.3Å; R87-H112 PolarHBondContact NH1-NE2 3.32Å; R87-H112 VanDerWaalsContact NH1-NE2 3.11Å; R87-M119 HydrophobicContact CG-SD 4.27Å; R87-L126 HydrophobicContact CG-CD1 4.26Å; R87-L126 HydrophobicContact CG-CD2 4.01Å
88T94.7Very high93.9Very high80 Ų8066.4 Ų66.449%0.49134%0.341SS..Hα-helixtrans-59.3-45.7178.4-48.20000110.5T86 M90 Q91 D92T86-T88 VanDerWaalsContact C-N 3.32Å; T86-T88 PolarHBondContact OG1-N 3.41Å; T88-M90 VanDerWaalsContact C-N 3.3Å; T88-M90 PolarHBondContact O-N 3.28Å; T88-Q91 WeakPolarHBondContact O-CB 3.45Å; T88-Q91 PolarHBondContact O-N 2.95Å; T88-D92 PolarHBondContact O-N 3.25Å
89D95.2Very high94Very high61 Ų6173.5 Ų73.533%0.32637%0.366SS..Hα-helixtrans-58.2-42.4177.3-56.9-45.8000112.2W74 V85 T86 R87 K93W74-D89 HydrophobicContact CH2-CB 4.09Å; V85-D89 HydrophobicContact CG1-CB 3.96Å; T86-D89 WeakPolarHBondContact CA-OD2 3.39Å; T86-D89 VanDerWaalsContact CB-OD2 3.29Å; T86-D89 WeakPolarHBondContact CB-OD2 3.35Å; T86-D89 WeakPolarHBondContact CG2-OD2 3.43Å; T86-D89 PolarHBondContact N-OD2 3.34Å; T86-D89 PolarHBondContact O-N 2.87Å; T86-D89 PolarHBondContact OG1-N 3.32Å; T86-D89 PolarHBondContact OG1-OD2 3.46Å; R87-D89 VanDerWaalsContact C-N 3.32Å; R87-D89 PolarHBondContact O-N 3.41Å; D89-K93 VanDerWaalsContact O-CB 3.29Å; D89-K93 WeakPolarHBondContact O-CB 3.37Å; D89-K93 PolarHBondContact O-N 3.09Å
90M96.3Very high94.2Very high0 Ų079.2 Ų79.20%039%0.389CS..Hα-helixtrans-66.5-37.7176.3-68.7-176.7-82.400112.1V75 V85 T86 R87 T88 A94 F118 M119 L124 L126V75-M90 HydrophobicContact CG2-CG 3.73Å; V75-M90 HydrophobicContact CG2-SD 3.82Å; V85-M90 HydrophobicContact CG1-CG 3.72Å; V85-M90 HydrophobicContact CG1-SD 4.48Å; T86-M90 WeakPolarHBondContact O-CE 3.48Å; T86-M90 PolarHBondContact O-N 3.08Å; R87-M90 HydrophobicContact CG-CE 4.31Å; R87-M90 PolarHBondContact O-N 3.27Å; T88-M90 VanDerWaalsContact C-N 3.3Å; T88-M90 PolarHBondContact O-N 3.28Å; M90-A94 WeakPolarHBondContact O-CB 2.9Å; M90-A94 PolarHBondContact O-N 3.07Å; M90-F118 HydrophobicContact CG-CE1 4.46Å; M90-F118 HydrophobicContact SD-CD1 4.36Å; M90-F118 HydrophobicContact SD-CE1 3.74Å; M90-M119 HydrophobicContact CE-CE 4.13Å; M90-M119 HydrophobicContact CE-CG 3.97Å; M90-M119 HydrophobicContact CE-SD 3.64Å; M90-M119 HydrophobicContact SD-CG 4.15Å; M90-L124 HydrophobicContact SD-CD1 4.45Å; M90-L126 HydrophobicContact CE-CD2 4.22Å
91Q96.6Very high94.5Very high41 Ų4173.3 Ų73.319%0.19236%0.362CS..Hα-helixtrans-67.9-45.1177.5-69.1170.5-65.200111.2R87 T88 A94 M95 A110 C115R87-Q91 VanDerWaalsContact O-CG 3.29Å; R87-Q91 WeakPolarHBondContact O-CG 3.46Å; R87-Q91 PolarHBondContact O-N 3Å; R87-Q91 PolarHBondContact O-OE1 3.3Å; T88-Q91 WeakPolarHBondContact O-CB 3.45Å; T88-Q91 PolarHBondContact O-N 2.95Å; Q91-A94 PolarHBondContact O-N 3.12Å; Q91-M95 WeakPolarHBondContact O-CB 3.45Å; Q91-M95 VanDerWaalsContact O-CG 3.3Å; Q91-M95 WeakPolarHBondContact O-CG 3.49Å; Q91-M95 PolarHBondContact O-N 2.9Å; Q91-A110 HydrophobicContact CB-CB 3.9Å; Q91-A110 HydrophobicContact CG-CB 4.15Å; Q91-A110 WeakPolarHBondContact CG-O 3.2Å; Q91-A110 PolarHBondContact NE2-O 3.43Å; Q91-C115 HydrophobicContact CG-CB 4.2Å
92D96.6Very high94.6Very high99 Ų9973.7 Ų73.753%0.52936%0.363SS..Hα-helixtrans-65.9-44.4-180-69.2-19.9000111.4T88 A94 M95 N96T88-D92 PolarHBondContact O-N 3.25Å; D92-A94 VanDerWaalsContact C-N 3.31Å; D92-A94 PolarHBondContact O-N 3.29Å; D92-M95 PolarHBondContact O-N 2.93Å; D92-N96 VanDerWaalsContact O-CB 3.31Å; D92-N96 WeakPolarHBondContact O-CB 3.26Å; D92-N96 PolarHBondContact O-N 3.1Å
93K97.1Very high95Very high87 Ų8777.8 Ų77.838%0.37837%0.365SS..Hα-helixtrans-61.1-40.6174.9-172.569.6173.9-177.60111.8L71 W74 D89 N96 W97L71-K93 HydrophobicContact CD1-CB 3.68Å; L71-K93 HydrophobicContact CD1-CG 3.5Å; W74-K93 HydrophobicContact CD2-CD 4.03Å; W74-K93 HydrophobicContact CD2-CG 3.8Å; W74-K93 HydrophobicContact CE3-CB 4.18Å; W74-K93 HydrophobicContact CE3-CG 3.83Å; W74-K93 HydrophobicContact CG-CD 4.33Å; W74-K93 HydrophobicContact CG-CG 4.28Å; W74-K93 HydrophobicContact CH2-CB 4.22Å; W74-K93 HydrophobicContact CH2-CG 4.46Å; W74-K93 HydrophobicContact CZ2-CD 4.3Å; W74-K93 HydrophobicContact CZ2-CG 4.45Å; W74-K93 HydrophobicContact CZ3-CB 4.02Å; W74-K93 HydrophobicContact CZ3-CG 4.17Å; D89-K93 VanDerWaalsContact O-CB 3.29Å; D89-K93 WeakPolarHBondContact O-CB 3.37Å; D89-K93 PolarHBondContact O-N 3.09Å; K93-N96 PolarHBondContact O-N 3.13Å; K93-W97 PolarHBondContact O-N 2.71Å
94A97.4Very high95.2Very high0 Ų072.9 Ų72.90%035%0.351CS..Hα-helixtrans-67-43176.800000112.7L67 L71 M90 Q91 D92 N96 W97 A98 F108 A110 W114L67-A94 HydrophobicContact CD2-CB 4.13Å; L71-A94 HydrophobicContact CD2-CB 3.91Å; M90-A94 WeakPolarHBondContact O-CB 2.9Å; M90-A94 PolarHBondContact O-N 3.07Å; Q91-A94 PolarHBondContact O-N 3.12Å; D92-A94 VanDerWaalsContact C-N 3.31Å; D92-A94 PolarHBondContact O-N 3.29Å; A94-N96 VanDerWaalsContact C-N 3.33Å; A94-W97 PolarHBondContact O-N 2.94Å; A94-A98 WeakPolarHBondContact O-CB 3.42Å; A94-A98 PolarHBondContact O-N 2.88Å; A94-F108 HydrophobicContact CB-CE1 3.87Å; A94-F108 HydrophobicContact CB-CZ 3.79Å; A94-A110 HydrophobicContact CB-CB 4.45Å; A94-W114 HydrophobicContact CB-CH2 3.43Å; A94-W114 VanDerWaalsContact CB-CH2 3.43Å; A94-W114 HydrophobicContact CB-CZ2 4.35Å; A94-W114 HydrophobicContact CB-CZ3 3.82Å
95M96.8Very high95.4Very high71 Ų7168.8 Ų68.835%0.3533%0.331SS..Hα-helixtrans-64.8-39.5176.2-73-61.1-65.600111.5Q91 D92 A98 R99 F108 A110Q91-M95 WeakPolarHBondContact O-CB 3.45Å; Q91-M95 VanDerWaalsContact O-CG 3.3Å; Q91-M95 WeakPolarHBondContact O-CG 3.49Å; Q91-M95 PolarHBondContact O-N 2.9Å; D92-M95 PolarHBondContact O-N 2.93Å; M95-A98 PolarHBondContact O-N 2.75Å; M95-R99 WeakPolarHBondContact O-CG 3.31Å; M95-R99 PolarHBondContact O-N 2.8Å; M95-F108 HydrophobicContact SD-CD1 4.37Å; M95-F108 HydrophobicContact SD-CE1 4.17Å; M95-A110 HydrophobicContact CG-CB 3.59Å; M95-A110 HydrophobicContact SD-CB 3.74Å
96N96.7Very high95.3Very high76 Ų7678.7 Ų78.741%0.40637%0.37SS..Hα-helixtrans-60.7-50.2173.8-175.3-55.7000110.7D92 K93 A94 A98 R99 Y100D92-N96 VanDerWaalsContact O-CB 3.31Å; D92-N96 WeakPolarHBondContact O-CB 3.26Å; D92-N96 PolarHBondContact O-N 3.1Å; K93-N96 PolarHBondContact O-N 3.13Å; A94-N96 VanDerWaalsContact C-N 3.33Å; N96-A98 VanDerWaalsContact C-N 3.31Å; N96-A98 PolarHBondContact O-N 2.99Å; N96-R99 WeakPolarHBondContact O-CB 3.44Å; N96-R99 PolarHBondContact O-N 3.38Å; N96-R99 VanDerWaalsContact O-N 3.13Å; N96-Y100 VanDerWaalsContact O-CD2 3.23Å; N96-Y100 WeakPolarHBondContact O-CD2 3.31Å; N96-Y100 PolarHBondContact O-N 3.2Å; N96-Y100 WeakPolarHBondContact OD1-CD2 3.31Å; N96-Y100 VanDerWaalsContact OD1-CE2 3.23Å; N96-Y100 WeakPolarHBondContact OD1-CE2 3.2Å
97W97.3Very high95.3Very high55 Ų5578.8 Ų78.821%0.20838%0.382CS..Hα-helixtrans-57.2-43.4176.7-172.496.5000112.5E66 L67 K93 A94 R99 Y100 N101 L104E66-W97 HydrophobicContact CB-CH2 4.15Å; E66-W97 HydrophobicContact CB-CZ2 4.4Å; E66-W97 WeakPolarHBondContact O-CZ2 2.99Å; L67-W97 HydrophobicContact CB-CD2 4.27Å; L67-W97 HydrophobicContact CB-CE3 3.73Å; L67-W97 HydrophobicContact CB-CH2 4.03Å; L67-W97 HydrophobicContact CB-CZ3 3.6Å; L67-W97 HydrophobicContact CD1-CE3 3.64Å; L67-W97 HydrophobicContact CD1-CZ3 4.02Å; L67-W97 HydrophobicContact CG-CD2 4.18Å; L67-W97 HydrophobicContact CG-CE3 3.69Å; L67-W97 HydrophobicContact CG-CZ3 4.08Å; K93-W97 PolarHBondContact O-N 2.71Å; A94-W97 PolarHBondContact O-N 2.94Å; W97-R99 VanDerWaalsContact C-N 3.31Å; W97-R99 PolarHBondContact O-N 3.45Å; W97-Y100 PolarHBondContact O-N 2.94Å; W97-N101 HydrophobicContact CD2-CB 4.22Å; W97-N101 HydrophobicContact CE3-CB 3.91Å; W97-N101 HydrophobicContact CH2-CB 3.71Å; W97-N101 HydrophobicContact CZ2-CB 4Å; W97-N101 HydrophobicContact CZ3-CB 3.64Å; W97-N101 PolarHBondContact O-N 3.35Å; W97-N101 PolarHBondContact O-ND2 3.2Å; W97-L104 HydrophobicContact CH2-CB 3.62Å; W97-L104 HydrophobicContact CH2-CD1 3.68Å; W97-L104 HydrophobicContact CH2-CG 4.29Å; W97-L104 HydrophobicContact CZ2-CD1 4.06Å; W97-L104 HydrophobicContact CZ3-CB 4.04Å
98A96Very high95.3Very high12 Ų1275.5 Ų75.510%0.09937%0.37CS..Hα-helixtrans-63.4-34.2178.700000113A94 M95 N96 Y100 N101 S105 F108A94-A98 WeakPolarHBondContact O-CB 3.42Å; A94-A98 PolarHBondContact O-N 2.88Å; M95-A98 PolarHBondContact O-N 2.75Å; N96-A98 VanDerWaalsContact C-N 3.31Å; N96-A98 PolarHBondContact O-N 2.99Å; A98-Y100 VanDerWaalsContact C-N 3.29Å; A98-Y100 PolarHBondContact O-N 2.72Å; A98-N101 CarbonylContact O-C 3.57Å; A98-N101 PolarHBondContact O-N 2.95Å; A98-S105 WeakPolarHBondContact CA-OG 3.47Å; A98-S105 WeakPolarHBondContact CB-OG 2.94Å; A98-S105 PolarHBondContact O-OG 3.31Å; A98-S105 VanDerWaalsContact O-OG 3.09Å; A98-F108 HydrophobicContact CB-CD1 3.61Å; A98-F108 HydrophobicContact CB-CE1 4.25Å
99R95.4Very high95.2Very high195 Ų19574.9 Ų74.974%0.73637%0.367SS*.Hα-helixtrans-62-36.6174.7-73.3171.2-178-176.61.2112.4M95 N96 W97M95-R99 WeakPolarHBondContact O-CG 3.31Å; M95-R99 PolarHBondContact O-N 2.8Å; N96-R99 WeakPolarHBondContact O-CB 3.44Å; N96-R99 PolarHBondContact O-N 3.38Å; N96-R99 VanDerWaalsContact O-N 3.13Å; W97-R99 VanDerWaalsContact C-N 3.31Å; W97-R99 PolarHBondContact O-N 3.45Å
100Y95.6Very high95.1Very high174 Ų17472.6 Ų72.668%0.68236%0.356SS*.Hα-helixtrans-87.2-14.8179.3-66.9-73.2000113.7N96 W97 A98 P102N96-Y100 VanDerWaalsContact O-CD2 3.23Å; N96-Y100 WeakPolarHBondContact O-CD2 3.31Å; N96-Y100 PolarHBondContact O-N 3.2Å; N96-Y100 WeakPolarHBondContact OD1-CD2 3.31Å; N96-Y100 VanDerWaalsContact OD1-CE2 3.23Å; N96-Y100 WeakPolarHBondContact OD1-CE2 3.2Å; W97-Y100 PolarHBondContact O-N 2.94Å; A98-Y100 VanDerWaalsContact C-N 3.29Å; A98-Y100 PolarHBondContact O-N 2.72Å; Y100-P102 WeakPolarHBondContact O-CD 3.26Å
101N96Very high95Very high41 Ų4179.3 Ų79.322%0.21939%0.385CS..  trans-127.452.9-176.5-61-86.5000112.6W97 A98 H103 L104 S105W97-N101 HydrophobicContact CD2-CB 4.22Å; W97-N101 HydrophobicContact CE3-CB 3.91Å; W97-N101 HydrophobicContact CH2-CB 3.71Å; W97-N101 HydrophobicContact CZ2-CB 4Å; W97-N101 HydrophobicContact CZ3-CB 3.64Å; W97-N101 PolarHBondContact O-N 3.35Å; W97-N101 PolarHBondContact O-ND2 3.2Å; A98-N101 CarbonylContact O-C 3.57Å; A98-N101 PolarHBondContact O-N 2.95Å; N101-H103 PolarHBondContact O-N 3.24Å; N101-H103 VanDerWaalsContact O-N 3.1Å; N101-L104 HydrophobicContact CB-CB 4.35Å; N101-L104 HydrophobicContact CB-CD1 4.38Å; N101-L104 PolarHBondContact O-N 2.86Å; N101-S105 PolarHBondContact O-N 3.14Å; N101-S105 VanDerWaalsContact O-N 3.09Å; N101-S105 PolarHBondContact O-OG 3.36Å; N101-S105 VanDerWaalsContact O-OG 3.13Å
102P93.2Very high94.7Very high84 Ų8482.7 Ų82.755%0.54540%0.401SS..THydrogen-bonded Turntrans-59.6-30.1-172.823.8-34.6000113.4Y100 L104 S105 Y106Y100-P102 WeakPolarHBondContact O-CD 3.26Å; P102-L104 VanDerWaalsContact C-N 3.28Å; P102-L104 PolarHBondContact O-N 3Å; P102-S105 PolarHBondContact O-N 3.4Å; P102-Y106 PolarHBondContact O-N 2.94Å
103H94.1Very high94.5Very high146 Ų14679.8 Ų79.868%0.67639%0.394SS*.THydrogen-bonded Turntrans-68.6-24.217766-79000113.4N101N101-H103 PolarHBondContact O-N 3.24Å; N101-H103 VanDerWaalsContact O-N 3.1Å
104L93.6Very high94.4Very high63 Ų6376.7 Ų76.733%0.3338%0.38SS..THydrogen-bonded Turntrans-99.6-17.3177.3-59.2176.4000112.8W64 E66 W97 N101 P102W64-L104 VanDerWaalsContact CD1-O 3.29Å; E66-L104 HydrophobicContact CB-CD1 4.22Å; W97-L104 HydrophobicContact CH2-CB 3.62Å; W97-L104 HydrophobicContact CH2-CD1 3.68Å; W97-L104 HydrophobicContact CH2-CG 4.29Å; W97-L104 HydrophobicContact CZ2-CD1 4.06Å; W97-L104 HydrophobicContact CZ3-CB 4.04Å; N101-L104 HydrophobicContact CB-CB 4.35Å; N101-L104 HydrophobicContact CB-CD1 4.38Å; N101-L104 PolarHBondContact O-N 2.86Å; P102-L104 VanDerWaalsContact C-N 3.28Å; P102-L104 PolarHBondContact O-N 3Å
105S93Very high94.2Very high11 Ų1176.7 Ų76.78%0.07738%0.38CS..  trans-117.329.6-173.9700000113.4A98 N101 P102 G107 F108A98-S105 WeakPolarHBondContact CA-OG 3.47Å; A98-S105 WeakPolarHBondContact CB-OG 2.94Å; A98-S105 PolarHBondContact O-OG 3.31Å; A98-S105 VanDerWaalsContact O-OG 3.09Å; N101-S105 PolarHBondContact O-N 3.14Å; N101-S105 VanDerWaalsContact O-N 3.09Å; N101-S105 PolarHBondContact O-OG 3.36Å; N101-S105 VanDerWaalsContact O-OG 3.13Å; P102-S105 PolarHBondContact O-N 3.4Å; S105-G107 PolarHBondContact O-N 3Å; S105-F108 WeakPolarHBondContact O-CB 3.49Å; S105-F108 PolarHBondContact O-N 3.41Å
106Y92.2Very high94.1Very high213 Ų21375 Ų7584%0.83538%0.375SS*.THydrogen-bonded Turntrans-56.6125.1179.6-175.7-96.7000111P102 F108P102-Y106 PolarHBondContact O-N 2.94Å; Y106-F108 PolarHBondContact O-N 3.18Å
107G92.6Very high93.9Very high61 Ų6176.8 Ų76.863%0.62938%0.381SS*.THydrogen-bonded Turntrans68.78-177.100000115.2S105 T109S105-G107 PolarHBondContact O-N 3Å; G107-T109 PolarHBondContact O-N 3.35Å
108F94.5Very high93.7Very high16 Ų1674.2 Ų74.27%0.0737%0.371CS..  trans-64.9132.5178.4177.8-109.2000111W64 L67 A94 M95 A98 S105 Y106 A110 W114W64-F108 HydrophobicContact CD2-CB 4.47Å; W64-F108 AromaticContact CD2-CD2 3.68Å; W64-F108 HydrophobicContact CD2-CD2 3.68Å; W64-F108 HydrophobicContact CD2-CE2 4.47Å; W64-F108 AromaticContact CE2-CD2 3.98Å; W64-F108 AromaticContact CE3-CD2 3.66Å; W64-F108 HydrophobicContact CE3-CD2 3.66Å; W64-F108 HydrophobicContact CE3-CE2 4.13Å; W64-F108 HydrophobicContact CG-CD2 4.23Å; W64-F108 HydrophobicContact CH2-CD2 4.27Å; W64-F108 HydrophobicContact CZ2-CB 4.24Å; W64-F108 HydrophobicContact CZ2-CD2 4.27Å; W64-F108 AromaticContact CZ3-CD2 3.97Å; W64-F108 HydrophobicContact CZ3-CD2 3.97Å; W64-F108 HydrophobicContact CZ3-CE2 4.48Å; L67-F108 HydrophobicContact CD1-CD1 3.8Å; L67-F108 HydrophobicContact CD1-CD2 4.1Å; L67-F108 HydrophobicContact CD1-CE1 3.63Å; L67-F108 HydrophobicContact CD1-CE2 3.97Å; L67-F108 HydrophobicContact CD1-CG 4.02Å; L67-F108 HydrophobicContact CD1-CZ 3.72Å; L67-F108 HydrophobicContact CD2-CE2 4.48Å; L67-F108 HydrophobicContact CD2-CZ 4.24Å; A94-F108 HydrophobicContact CB-CE1 3.87Å; A94-F108 HydrophobicContact CB-CZ 3.79Å; M95-F108 HydrophobicContact SD-CD1 4.37Å; M95-F108 HydrophobicContact SD-CE1 4.17Å; A98-F108 HydrophobicContact CB-CD1 3.61Å; A98-F108 HydrophobicContact CB-CE1 4.25Å; S105-F108 WeakPolarHBondContact O-CB 3.49Å; S105-F108 PolarHBondContact O-N 3.41Å; Y106-F108 PolarHBondContact O-N 3.18Å; F108-A110 HydrophobicContact CE1-CB 4Å; F108-A110 HydrophobicContact CZ-CB 3.95Å; F108-W114 AromaticContact CE2-CD1 3.97Å; F108-W114 AromaticContact CE2-CD2 3.67Å; F108-W114 HydrophobicContact CE2-CD2 3.67Å; F108-W114 AromaticContact CE2-CE2 3.45Å; F108-W114 VanDerWaalsContact CE2-CE2 3.45Å; F108-W114 HydrophobicContact CE2-CE3 4.22Å; F108-W114 HydrophobicContact CE2-CG 4.04Å; F108-W114 HydrophobicContact CE2-CH2 4.34Å; F108-W114 AromaticContact CE2-CZ2 3.83Å; F108-W114 HydrophobicContact CE2-CZ2 3.83Å; F108-W114 AromaticContact CE2-NE1 3.64Å; F108-W114 AromaticContact CZ-CD2 3.89Å; F108-W114 HydrophobicContact CZ-CD2 3.89Å; F108-W114 AromaticContact CZ-CE2 3.77Å; F108-W114 AromaticContact CZ-CE3 3.97Å; F108-W114 HydrophobicContact CZ-CE3 3.97Å; F108-W114 AromaticContact CZ-CH2 3.82Å; F108-W114 HydrophobicContact CZ-CH2 3.82Å; F108-W114 AromaticContact CZ-CZ2 3.75Å; F108-W114 HydrophobicContact CZ-CZ2 3.75Å; F108-W114 AromaticContact CZ-CZ3 3.93Å; F108-W114 HydrophobicContact CZ-CZ3 3.93Å
109T93.2Very high93.7Very high67 Ų6774.1 Ų74.141%0.41137%0.369SS..  trans-135.3128169.152.80000108.4G107 K111G107-T109 PolarHBondContact O-N 3.35Å; T109-K111 PolarHBondContact O-N 3.21Å; T109-K111 WeakPolarHBondContact OG1-CE 3.1Å
110A92.9Very high93.5Very high13 Ų1373 Ų7311%0.10737%0.37CS..  trans-76.549.5179.300000112Q91 A94 M95 F108 W114Q91-A110 HydrophobicContact CB-CB 3.9Å; Q91-A110 HydrophobicContact CG-CB 4.15Å; Q91-A110 WeakPolarHBondContact CG-O 3.2Å; Q91-A110 PolarHBondContact NE2-O 3.43Å; A94-A110 HydrophobicContact CB-CB 4.45Å; M95-A110 HydrophobicContact CG-CB 3.59Å; M95-A110 HydrophobicContact SD-CB 3.74Å; F108-A110 HydrophobicContact CE1-CB 4Å; F108-A110 HydrophobicContact CZ-CB 3.95Å; A110-W114 HydrophobicContact CB-CE3 4.12Å; A110-W114 HydrophobicContact CB-CZ3 4.07Å
111K93.3Very high93.3Very high141 Ų14167.9 Ų67.961%0.61335%0.349SS*.  trans-63.7155.9178.6-67.1-179.2-178.2-1780110.7T109 G113 W114 C115T109-K111 PolarHBondContact O-N 3.21Å; T109-K111 WeakPolarHBondContact OG1-CE 3.1Å; K111-G113 PolarHBondContact O-N 3.39Å; K111-W114 WeakPolarHBondContact O-CB 3.3Å; K111-W114 PolarHBondContact O-N 3.08Å; K111-C115 PolarHBondContact O-N 3.25Å
112H91.7Very high93.2Very high112 Ų11268 Ų6852%0.51935%0.347SS..Hα-helixtrans-52.5-42.5176.7176.3-74.5000112.8R87 W114 C115 S116R87-H112 PolarHBondContact NH1-NE2 3.32Å; R87-H112 VanDerWaalsContact NH1-NE2 3.11Å; H112-W114 PolarHBondContact O-N 2.89Å; H112-C115 PolarHBondContact O-N 3.01Å; H112-S116 PolarHBondContact O-N 3.35Å; H112-S116 PolarHBondContact O-OG 2.62Å; H112-S116 VanDerWaalsContact O-OG 3.14Å
113G92.6Very high93.2Very high37 Ų3771 Ų7138%0.38136%0.359SS..Hα-helixtrans-58.7-45.4175.700000112.2K111 S116 H117K111-G113 PolarHBondContact O-N 3.39Å; G113-S116 PolarHBondContact O-N 3.04Å; G113-H117 PolarHBondContact O-N 2.96Å; G113-H117 PolarHBondContact O-ND1 3.06Å
114W94.1Very high93.1Very high23 Ų2364.7 Ų64.79%0.08733%0.33CS..Hα-helixtrans-61-47.9175.916782.1000111.3L67 E68 L71 A94 F108 A110 K111 H112 S116 H117 F118L67-W114 HydrophobicContact CD2-CH2 4Å; L67-W114 HydrophobicContact CD2-CZ2 3.5Å; L67-W114 VanDerWaalsContact CD2-CZ2 3.5Å; E68-W114 HydrophobicContact CG-CZ2 4.26Å; E68-W114 PolarHBondContact OE1-NE1 2.89Å; L71-W114 HydrophobicContact CD2-CH2 3.54Å; L71-W114 HydrophobicContact CD2-CZ2 4.15Å; A94-W114 HydrophobicContact CB-CH2 3.43Å; A94-W114 VanDerWaalsContact CB-CH2 3.43Å; A94-W114 HydrophobicContact CB-CZ2 4.35Å; A94-W114 HydrophobicContact CB-CZ3 3.82Å; F108-W114 AromaticContact CE2-CD1 3.97Å; F108-W114 AromaticContact CE2-CD2 3.67Å; F108-W114 HydrophobicContact CE2-CD2 3.67Å; F108-W114 AromaticContact CE2-CE2 3.45Å; F108-W114 VanDerWaalsContact CE2-CE2 3.45Å; F108-W114 HydrophobicContact CE2-CE3 4.22Å; F108-W114 HydrophobicContact CE2-CG 4.04Å; F108-W114 HydrophobicContact CE2-CH2 4.34Å; F108-W114 AromaticContact CE2-CZ2 3.83Å; F108-W114 HydrophobicContact CE2-CZ2 3.83Å; F108-W114 AromaticContact CE2-NE1 3.64Å; F108-W114 AromaticContact CZ-CD2 3.89Å; F108-W114 HydrophobicContact CZ-CD2 3.89Å; F108-W114 AromaticContact CZ-CE2 3.77Å; F108-W114 AromaticContact CZ-CE3 3.97Å; F108-W114 HydrophobicContact CZ-CE3 3.97Å; F108-W114 AromaticContact CZ-CH2 3.82Å; F108-W114 HydrophobicContact CZ-CH2 3.82Å; F108-W114 AromaticContact CZ-CZ2 3.75Å; F108-W114 HydrophobicContact CZ-CZ2 3.75Å; F108-W114 AromaticContact CZ-CZ3 3.93Å; F108-W114 HydrophobicContact CZ-CZ3 3.93Å; A110-W114 HydrophobicContact CB-CE3 4.12Å; A110-W114 HydrophobicContact CB-CZ3 4.07Å; K111-W114 WeakPolarHBondContact O-CB 3.3Å; K111-W114 PolarHBondContact O-N 3.08Å; H112-W114 PolarHBondContact O-N 2.89Å; W114-S116 VanDerWaalsContact C-N 3.32Å; W114-S116 PolarHBondContact O-N 3.32Å; W114-H117 PolarHBondContact O-N 3.28Å; W114-H117 VanDerWaalsContact O-N 3.11Å; W114-F118 HydrophobicContact CH2-CD1 4.44Å; W114-F118 HydrophobicContact CH2-CG 4.39Å; W114-F118 HydrophobicContact CZ2-CB 4.06Å; W114-F118 HydrophobicContact CZ2-CD2 4.48Å; W114-F118 HydrophobicContact CZ2-CG 4.14Å; W114-F118 WeakPolarHBondContact O-CB 3.28Å; W114-F118 PolarHBondContact O-N 3.07Å
115C94.5Very high93Very high0 Ų066 Ų660%034%0.34CS..Hα-helixtrans-58-44-179.3-175.20000111.7Q91 K111 H112 H117 F118 M119Q91-C115 HydrophobicContact CG-CB 4.2Å; K111-C115 PolarHBondContact O-N 3.25Å; H112-C115 PolarHBondContact O-N 3.01Å; C115-H117 PolarHBondContact O-N 2.75Å; C115-F118 WeakPolarHBondContact O-CB 3.36Å; C115-F118 PolarHBondContact O-N 3.1Å; C115-M119 WeakPolarHBondContact O-CB 3.49Å; C115-M119 VanDerWaalsContact O-CG 3.28Å; C115-M119 WeakPolarHBondContact O-CG 3.36Å; C115-M119 PolarHBondContact O-N 2.97Å
116S93Very high92.7Very high36 Ų3669.3 Ų69.325%0.25236%0.357SS..Hα-helixtrans-61.5-40.8177.1-61.40000112.6H112 G113 W114 K120H112-S116 PolarHBondContact O-N 3.35Å; H112-S116 PolarHBondContact O-OG 2.62Å; H112-S116 VanDerWaalsContact O-OG 3.14Å; G113-S116 PolarHBondContact O-N 3.04Å; W114-S116 VanDerWaalsContact C-N 3.32Å; W114-S116 PolarHBondContact O-N 3.32Å; S116-K120 WeakPolarHBondContact O-CB 3.38Å; S116-K120 PolarHBondContact O-N 2.89Å; S116-K120 VanDerWaalsContact O-N 3.13Å
117H92.7Very high92.1Very high113 Ų11367 Ų6752%0.52335%0.346SS..Hα-helixtrans-72.4-39.3177.1-70.991.6000112.6G113 W114 C115 K120 R121G113-H117 PolarHBondContact O-N 2.96Å; G113-H117 PolarHBondContact O-ND1 3.06Å; W114-H117 PolarHBondContact O-N 3.28Å; W114-H117 VanDerWaalsContact O-N 3.11Å; C115-H117 PolarHBondContact O-N 2.75Å; H117-K120 PolarHBondContact O-N 3.31Å; H117-R121 WeakPolarHBondContact O-CB 3.47Å; H117-R121 WeakPolarHBondContact O-CG 3.41Å; H117-R121 PolarHBondContact O-N 3.44Å
118F94.4Very high91Very high0 Ų072.3 Ų72.30%036%0.355CS..Hα-helixtrans-56.7-51.8173.6157.7-110000110.5E68 L71 A72 M90 W114 C115 K120 R121 K122 L124E68-F118 HydrophobicContact CB-CD2 3.87Å; E68-F118 HydrophobicContact CB-CE2 4.02Å; E68-F118 HydrophobicContact CG-CD2 3.6Å; E68-F118 HydrophobicContact CG-CE2 4.19Å; E68-F118 HydrophobicContact CG-CG 4.5Å; E68-F118 WeakPolarHBondContact O-CE2 3.4Å; L71-F118 HydrophobicContact CB-CE2 4.35Å; L71-F118 HydrophobicContact CB-CZ 4.13Å; L71-F118 HydrophobicContact CD2-CD1 4.29Å; L71-F118 HydrophobicContact CD2-CE1 3.75Å; L71-F118 HydrophobicContact CD2-CE2 4.05Å; L71-F118 HydrophobicContact CD2-CZ 3.62Å; L71-F118 HydrophobicContact CG-CE1 4.09Å; L71-F118 HydrophobicContact CG-CE2 4.28Å; L71-F118 HydrophobicContact CG-CZ 3.65Å; A72-F118 HydrophobicContact CB-CE2 4.15Å; A72-F118 HydrophobicContact CB-CZ 4.21Å; M90-F118 HydrophobicContact CG-CE1 4.46Å; M90-F118 HydrophobicContact SD-CD1 4.36Å; M90-F118 HydrophobicContact SD-CE1 3.74Å; W114-F118 HydrophobicContact CH2-CD1 4.44Å; W114-F118 HydrophobicContact CH2-CG 4.39Å; W114-F118 HydrophobicContact CZ2-CB 4.06Å; W114-F118 HydrophobicContact CZ2-CD2 4.48Å; W114-F118 HydrophobicContact CZ2-CG 4.14Å; W114-F118 WeakPolarHBondContact O-CB 3.28Å; W114-F118 PolarHBondContact O-N 3.07Å; C115-F118 WeakPolarHBondContact O-CB 3.36Å; C115-F118 PolarHBondContact O-N 3.1Å; F118-K120 VanDerWaalsContact C-N 3.31Å; F118-K120 PolarHBondContact O-N 3.38Å; F118-R121 PolarHBondContact O-N 3.25Å; F118-R121 VanDerWaalsContact O-N 3.11Å; F118-K122 HydrophobicContact CD2-CG 3.86Å; F118-K122 HydrophobicContact CE2-CB 4.36Å; F118-K122 HydrophobicContact CE2-CG 3.63Å; F118-K122 HydrophobicContact CZ-CG 4.46Å; F118-K122 PolarHBondContact O-N 3.27Å; F118-L124 HydrophobicContact CE1-CD1 3.68Å; F118-L124 HydrophobicContact CE2-CD1 4.48Å; F118-L124 HydrophobicContact CZ-CD1 3.64Å
119M94.4Very high89.5Confident11 Ų1173.5 Ų73.55%0.05437%0.372CS..Hα-helixtrans-56.3-45.9177.1-72.8179.573.300111.7R87 M90 C115 R121 K122 D123 L124 L126R87-M119 HydrophobicContact CG-SD 4.27Å; M90-M119 HydrophobicContact CE-CE 4.13Å; M90-M119 HydrophobicContact CE-CG 3.97Å; M90-M119 HydrophobicContact CE-SD 3.64Å; M90-M119 HydrophobicContact SD-CG 4.15Å; C115-M119 WeakPolarHBondContact O-CB 3.49Å; C115-M119 VanDerWaalsContact O-CG 3.28Å; C115-M119 WeakPolarHBondContact O-CG 3.36Å; C115-M119 PolarHBondContact O-N 2.97Å; M119-R121 PolarHBondContact O-N 3.18Å; M119-K122 PolarHBondContact O-N 3.13Å; M119-D123 PolarHBondContact O-N 3.07Å; M119-D123 VanDerWaalsContact O-N 3.08Å; M119-L124 HydrophobicContact CB-CB 4.21Å; M119-L124 WeakPolarHBondContact CE-O 3.4Å; M119-L124 HydrophobicContact CG-CB 4.27Å; M119-L124 PolarHBondContact O-N 3.4Å; M119-L126 HydrophobicContact CE-CD2 3.79Å; M119-L126 HydrophobicContact CE-CG 3.7Å; M119-L126 HydrophobicContact SD-CD2 4.43Å
120K92.4Very high87.8Confident172 Ų17276.1 Ų76.175%0.74839%0.388SS*.Hα-helixtrans-63.5-37.2177.3-175.3175.4-178.9174.10113S116 H117 F118S116-K120 WeakPolarHBondContact O-CB 3.38Å; S116-K120 PolarHBondContact O-N 2.89Å; S116-K120 VanDerWaalsContact O-N 3.13Å; H117-K120 PolarHBondContact O-N 3.31Å; F118-K120 VanDerWaalsContact C-N 3.31Å; F118-K120 PolarHBondContact O-N 3.38Å
121R92.2Very high86.1Confident65 Ų6585.5 Ų85.525%0.24543%0.426CS..Hα-helixtrans-71.9-28.8178.2-79.5-170.7-66.7-87.8-9.6113.2G60 E68 H117 F118 M119G60-R121 VanDerWaalsContact O-CD 3.31Å; G60-R121 WeakPolarHBondContact O-CD 3.34Å; E68-R121 VanDerWaalsContact CD-NH2 3.27Å; E68-R121 IonicContact OE1-CZ 2.68Å; E68-R121 IonicContact OE1-NE 3.22Å; E68-R121 IonicContact OE1-NH2 3.41Å; E68-R121 PolarHBondContact OE1-NH2 3.48Å; E68-R121 IonicContact OE2-CZ 2.75Å; E68-R121 IonicContact OE2-NE 3.97Å; E68-R121 PolarHBondContact OE2-NE 3.22Å; E68-R121 IonicContact OE2-NH2 2.94Å; E68-R121 PolarHBondContact OE2-NH2 2.8Å; H117-R121 WeakPolarHBondContact O-CB 3.47Å; H117-R121 WeakPolarHBondContact O-CG 3.41Å; H117-R121 PolarHBondContact O-N 3.44Å; F118-R121 PolarHBondContact O-N 3.25Å; F118-R121 VanDerWaalsContact O-N 3.11Å; M119-R121 PolarHBondContact O-N 3.18Å
122K93.1Very high84.4Confident44 Ų4484.3 Ų84.319%0.19143%0.431CS..THydrogen-bonded Turntrans-104.89.1-175.1-62.9-62.5-169.9-1750113.6E68 N69 A72 F118 M119 L124E68-K122 WeakPolarHBondContact O-CE 3.29Å; N69-K122 PolarHBondContact OD1-NZ 3.46Å; A72-K122 HydrophobicContact CB-CB 4.06Å; A72-K122 HydrophobicContact CB-CD 3.9Å; A72-K122 HydrophobicContact CB-CG 3.83Å; F118-K122 HydrophobicContact CD2-CG 3.86Å; F118-K122 HydrophobicContact CE2-CB 4.36Å; F118-K122 HydrophobicContact CE2-CG 3.63Å; F118-K122 HydrophobicContact CZ-CG 4.46Å; F118-K122 PolarHBondContact O-N 3.27Å; M119-K122 PolarHBondContact O-N 3.13Å; K122-L124 HydrophobicContact CB-CD1 3.97Å; K122-L124 HydrophobicContact CB-CG 3.89Å; K122-L124 PolarHBondContact O-N 3.03Å
123D92.2Very high82.7Confident147 Ų14783.1 Ų83.179%0.78644%0.44SS*.THydrogen-bonded Turntrans53.341.1-177.8-57.9-65.3000112.8M119M119-D123 PolarHBondContact O-N 3.07Å; M119-D123 VanDerWaalsContact O-N 3.08Å
124L93.3Very high81.1Confident13 Ų1390.1 Ų90.17%0.06846%0.463CS..  trans-95.9130.6177.8-57.5173.6000110.1V75 M90 F118 M119 K122V75-L124 HydrophobicContact CB-CD1 4.28Å; V75-L124 HydrophobicContact CG1-CD1 4.1Å; V75-L124 HydrophobicContact CG1-CD2 4Å; V75-L124 HydrophobicContact CG2-CD1 4.3Å; M90-L124 HydrophobicContact SD-CD1 4.45Å; F118-L124 HydrophobicContact CE1-CD1 3.68Å; F118-L124 HydrophobicContact CE2-CD1 4.48Å; F118-L124 HydrophobicContact CZ-CD1 3.64Å; M119-L124 HydrophobicContact CB-CB 4.21Å; M119-L124 WeakPolarHBondContact CE-O 3.4Å; M119-L124 HydrophobicContact CG-CB 4.27Å; M119-L124 PolarHBondContact O-N 3.4Å; K122-L124 HydrophobicContact CB-CD1 3.97Å; K122-L124 HydrophobicContact CB-CG 3.89Å; K122-L124 PolarHBondContact O-N 3.03Å
125V91.3Very high79.5Confident90 Ų9098.4 Ų98.455%0.54550%0.5SS..  trans-111.8149171.9-64.10000110.5R79 R127R79-V125 PolarHBondContact NH2-O 3.42Å; V125-R127 HydrophobicContact CG2-CG 4.43Å; V125-R127 PolarHBondContact O-N 3.25Å
126L87.1Confident77.6Confident81 Ų81104.7 Ų104.742%0.42453%0.531SS..PPolyproline II helixtrans-69.5129167.5-67.2176.7000108.2R87 M90 M119R87-L126 HydrophobicContact CG-CD1 4.26Å; R87-L126 HydrophobicContact CG-CD2 4.01Å; M90-L126 HydrophobicContact CE-CD2 4.22Å; M119-L126 HydrophobicContact CE-CD2 3.79Å; M119-L126 HydrophobicContact CE-CG 3.7Å; M119-L126 HydrophobicContact SD-CD2 4.43Å
127R79.1Confident76Confident164 Ų164105.9 Ų105.962%0.61954%0.543SS*.PPolyproline II helixtrans-101.2131.6174.4-68.8-175.5176.2-113.20.2108V125V125-R127 HydrophobicContact CG2-CG 4.43Å; V125-R127 PolarHBondContact O-N 3.25Å
128Q68.8Low74.6Confident173 Ų173105.7 Ų105.781%0.80855%0.549SS*.PPolyproline II helixtrans-67143.5160.4-63.9-60.3-30.700107.6T130Q128-T130 PolarHBondContact O-N 3.31Å
129G63.6Low73Confident41 Ų41109.5 Ų109.542%0.42357%0.57SS.*  trans-58.5115.1170.400000109.2K131G129-K131 PolarHBondContact O-N 3.43Å
130T56.9Low71.4Confident123 Ų123112.7 Ų112.776%0.75559%0.587SS**  trans-67.5126.316144.50000106.2Q128 T132Q128-T130 PolarHBondContact O-N 3.31Å; T130-T132 PolarHBondContact O-N 2.87Å
131K58.3Low69.9Low209 Ų209110.5 Ų110.591%0.90958%0.579SS**  trans-52.6106.6170.4-67.2-177.9-179.6-178.30106.7G129 A133G129-K131 PolarHBondContact O-N 3.43Å; K131-A133 PolarHBondContact O-N 3.38Å
132T57.8Low68.6Low117 Ų117110.9 Ų110.972%0.71859%0.586SS**  trans-60.4112.1173.6-55.50000105.6T130 Q134T130-T132 PolarHBondContact O-N 2.87Å; T132-Q134 PolarHBondContact O-N 3.34Å; T132-Q134 VanDerWaalsContact O-N 3.13Å
133A54.4Low67.2Low86 Ų86114.6 Ų114.671%0.71160%0.602SS**PPolyproline II helixtrans-53.7123.1163.500000105.8K131 K135K131-A133 PolarHBondContact O-N 3.38Å; A133-K135 PolarHBondContact O-N 3.43Å; A133-K135 VanDerWaalsContact O-N 3.11Å
134Q59.6Low65.9Low184 Ų184112.4 Ų112.486%0.8659%0.59SS**PPolyproline II helixtrans-49.4124.1-179.9-70.1170.9-27.600107.6T132 M136T132-Q134 PolarHBondContact O-N 3.34Å; T132-Q134 VanDerWaalsContact O-N 3.13Å; Q134-M136 PolarHBondContact O-N 3.15Å; Q134-M136 VanDerWaalsContact O-N 3.14Å
135K60.6Low64.7Low197 Ų197119.1 Ų119.186%0.85761%0.614SS**PPolyproline II helixtrans-53.2126164.9-84.4-176.4173.5-177.90105.8A133 A137A133-K135 PolarHBondContact O-N 3.43Å; A133-K135 VanDerWaalsContact O-N 3.11Å; K135-A137 PolarHBondContact O-N 2.93Å
136M54Low63.7Low132 Ų132120.6 Ų120.665%0.6562%0.619SS**PPolyproline II helixtrans-52.3129.3172.6-75.5-177.564.500107.8Q134 V138 L140Q134-M136 PolarHBondContact O-N 3.15Å; Q134-M136 VanDerWaalsContact O-N 3.14Å; M136-V138 PolarHBondContact O-N 3.06Å; M136-L140 HydrophobicContact CE-CB 4Å; M136-L140 HydrophobicContact CE-CD1 4.09Å; M136-L140 HydrophobicContact CE-CD2 4.32Å; M136-L140 HydrophobicContact CE-CG 4.36Å
137A59.9Low63Low61 Ų61120.8 Ų120.850%0.50463%0.627SS.*PPolyproline II helixtrans-57.1132171.100000107.5K135 D139 L140K135-A137 PolarHBondContact O-N 2.93Å; A137-D139 HydrophobicContact CB-CB 4.26Å; A137-D139 PolarHBondContact O-N 3.04Å; A137-L140 WeakPolarHBondContact O-CB 3.25Å; A137-L140 PolarHBondContact O-N 2.84Å
138V62.8Low62.5Low109 Ų109121.5 Ų121.566%0.66164%0.637SS**THydrogen-bonded Turntrans-51.2-29.8173.7170.80000111M136 L140 E141M136-V138 PolarHBondContact O-N 3.06Å; V138-L140 PolarHBondContact O-N 2.82Å; V138-L140 VanDerWaalsContact O-N 3.13Å; V138-E141 PolarHBondContact O-N 3.12Å; V138-E141 VanDerWaalsContact O-N 3.11Å
139D61.5Low61.8Low80 Ų80126.9 Ų126.943%0.42865%0.651SS.*Hα-helixtrans-60.6-17.4175.4-168.640.9000114.8A137 K143A137-D139 HydrophobicContact CB-CB 4.26Å; A137-D139 PolarHBondContact O-N 3.04Å; D139-K143 WeakPolarHBondContact O-CB 3.46Å; D139-K143 VanDerWaalsContact O-CG 3.26Å; D139-K143 WeakPolarHBondContact O-CG 3.11Å; D139-K143 PolarHBondContact O-N 3.4Å; D139-K143 WeakPolarHBondContact OD2-CE 3.46Å; D139-K143 IonicContact OD2-NZ 2.65Å; D139-K143 PolarHBondContact OD2-NZ 2.84Å
140L60.2Low61.7Low79 Ų79131.2 Ų131.241%0.41466%0.662SS.*Hα-helixtrans-74.9-32.6174.5-114.5149.6000112.2M136 A137 V138 L144M136-L140 HydrophobicContact CE-CB 4Å; M136-L140 HydrophobicContact CE-CD1 4.09Å; M136-L140 HydrophobicContact CE-CD2 4.32Å; M136-L140 HydrophobicContact CE-CG 4.36Å; A137-L140 WeakPolarHBondContact O-CB 3.25Å; A137-L140 PolarHBondContact O-N 2.84Å; V138-L140 PolarHBondContact O-N 2.82Å; V138-L140 VanDerWaalsContact O-N 3.13Å; L140-L144 HydrophobicContact CD2-CD1 4.39Å; L140-L144 HydrophobicContact CD2-CG 4.5Å; L140-L144 WeakPolarHBondContact O-CB 3.22Å; L140-L144 VanDerWaalsContact O-CG 3.28Å; L140-L144 WeakPolarHBondContact O-CG 3.41Å; L140-L144 PolarHBondContact O-N 3.45Å
141E61.9Low62Low125 Ų125131.6 Ų131.658%0.58466%0.657SS**Hα-helixtrans-71.9-31.8175.6-85.4170.9167.400111.9V138 R145V138-E141 PolarHBondContact O-N 3.12Å; V138-E141 VanDerWaalsContact O-N 3.11Å; E141-R145 WeakPolarHBondContact O-CG 3.45Å; E141-R145 PolarHBondContact O-N 3.27Å; E141-R145 PolarHBondContact O-NE 2.92Å
142D63.8Low62.2Low73 Ų73127.3 Ų127.339%0.3964%0.643SS.*Hα-helixtrans-75.7-42174.6-70.3-25.2000111.1L144 R145 D146D142-L144 VanDerWaalsContact C-N 3.35Å; D142-L144 PolarHBondContact O-N 3.07Å; D142-R145 PolarHBondContact O-N 3.44Å; D142-R145 VanDerWaalsContact O-N 3.11Å; D142-R145 IonicContact OD1-CZ 3.24Å; D142-R145 VanDerWaalsContact OD1-CZ 3.24Å; D142-R145 IonicContact OD1-NE 3.79Å; D142-R145 IonicContact OD1-NH1 3.84Å; D142-R145 IonicContact OD1-NH2 3.52Å; D142-R145 PolarHBondContact OD1-NH2 3.25Å; D142-D146 PolarHBondContact O-N 3.16Å; D142-D146 VanDerWaalsContact O-N 3.09Å
143K64.1Low62.5Low123 Ų123127.9 Ų127.954%0.53564%0.639SS.*Hα-helixtrans-65.6-32.2176.4-74.9172176.1166.70114.3D139 R145 S147D139-K143 WeakPolarHBondContact O-CB 3.46Å; D139-K143 VanDerWaalsContact O-CG 3.26Å; D139-K143 WeakPolarHBondContact O-CG 3.11Å; D139-K143 PolarHBondContact O-N 3.4Å; D139-K143 WeakPolarHBondContact OD2-CE 3.46Å; D139-K143 IonicContact OD2-NZ 2.65Å; D139-K143 PolarHBondContact OD2-NZ 2.84Å; K143-R145 VanDerWaalsContact C-N 3.32Å; K143-S147 PolarHBondContact O-N 3.45Å; K143-S147 PolarHBondContact O-OG 2.96Å
144L64.6Low63Low101 Ų101130.6 Ų130.653%0.52963%0.634SS.*Hα-helixtrans-69.7-31.6174.2-76.6171000111.9L140 D142 S147L140-L144 HydrophobicContact CD2-CD1 4.39Å; L140-L144 HydrophobicContact CD2-CG 4.5Å; L140-L144 WeakPolarHBondContact O-CB 3.22Å; L140-L144 VanDerWaalsContact O-CG 3.28Å; L140-L144 WeakPolarHBondContact O-CG 3.41Å; L140-L144 PolarHBondContact O-N 3.45Å; D142-L144 VanDerWaalsContact C-N 3.35Å; D142-L144 PolarHBondContact O-N 3.07Å; L144-S147 PolarHBondContact O-OG 3.07Å
145R68.4Low63.2Low154 Ų154127 Ų12758%0.58162%0.619SS**Hα-helixtrans-73.1-34.2175.8-77.4177.9-89174.90.1112.5E141 D142 K143E141-R145 WeakPolarHBondContact O-CG 3.45Å; E141-R145 PolarHBondContact O-N 3.27Å; E141-R145 PolarHBondContact O-NE 2.92Å; D142-R145 PolarHBondContact O-N 3.44Å; D142-R145 VanDerWaalsContact O-N 3.11Å; D142-R145 IonicContact OD1-CZ 3.24Å; D142-R145 VanDerWaalsContact OD1-CZ 3.24Å; D142-R145 IonicContact OD1-NE 3.79Å; D142-R145 IonicContact OD1-NH1 3.84Å; D142-R145 IonicContact OD1-NH2 3.52Å; D142-R145 PolarHBondContact OD1-NH2 3.25Å; K143-R145 VanDerWaalsContact C-N 3.32Å
146D70Confident63.4Low120 Ų120122 Ų12264%0.64260%0.602SS**Hα-helixtrans-78-21.6179.3-73.1-17.9000114D142 Q148D142-D146 PolarHBondContact O-N 3.16Å; D142-D146 VanDerWaalsContact O-N 3.09Å; D146-Q148 VanDerWaalsContact C-N 3.34Å; D146-Q148 PolarHBondContact O-N 2.87Å
147S72.7Confident64.1Low85 Ų85121.2 Ų121.259%0.59460%0.599SS**THydrogen-bonded Turntrans-83.5-2.9179.766.40000115.3K143 L144K143-S147 PolarHBondContact O-N 3.45Å; K143-S147 PolarHBondContact O-OG 2.96Å; L144-S147 PolarHBondContact O-OG 3.07Å
148Q68.8Low64.4Low179 Ų179126.3 Ų126.384%0.83661%0.606SS**THydrogen-bonded Turntrans-109.917.9177.6-63.1-157.8-64.800114.1D146D146-Q148 VanDerWaalsContact C-N 3.34Å; D146-Q148 PolarHBondContact O-N 2.87Å
149R54.6Low64.6Low287 Ų287127.8 Ų127.8100%1.08360%0.601SS**  trans-111.70168.7-82.9-175.4171.9-166.6-1.5110.6

Retrieved 149 of 149 residues in 1231.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).