G4VG40_SCHMA Loading...

Dipeptidyl peptidase 3

AlphaFold DB , UniProt , Accession G4VG40, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 725 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
1M50.4Low84.1Confident182 Ų18263.2 Ų63.290%0.89733%0.334SS*.  0-25.90-72.7-179.5-156.800111.2F3 Y4M1-F3 PolarHBondContact O-N 3.48Å; M1-Y4 PolarHBondContact O-N 3.35Å; M1-Y4 VanDerWaalsContact O-N 3.11Å
2D61.6Low84.9Confident131 Ų13160.2 Ų60.270%0.70132%0.316SS*.G310 helixtrans-53-21.4-179.3-46.7-8.5000114.6Y4 I5D2-Y4 PolarHBondContact O-N 3.17Å; D2-I5 PolarHBondContact O-N 3.17Å
3F75.4Confident85.6Confident71 Ų7157.2 Ų57.231%0.31130%0.298SS..G310 helixtrans-59.5-29.9176.4-171.2-89.4000114.3M1 T109 I655 K658M1-F3 PolarHBondContact O-N 3.48Å; F3-T109 HydrophobicContact CE1-CG2 4.11Å; F3-I655 HydrophobicContact CD2-CG2 4.14Å; F3-I655 HydrophobicContact CE2-CG2 4.08Å; F3-K658 HydrophobicContact CE2-CD 4.33Å
4Y88.7Confident86.2Confident48 Ų4853.1 Ų53.119%0.18828%0.277CS..G310 helixtrans-96.83.1-178-57.7-71.6000113.2M1 D2 K110 F111 I112 L151 L156M1-Y4 PolarHBondContact O-N 3.35Å; M1-Y4 VanDerWaalsContact O-N 3.11Å; D2-Y4 PolarHBondContact O-N 3.17Å; Y4-K110 WeakPolarHBondContact CD1-O 3.31Å; Y4-F111 CarbonylContact O-C 3.57Å; Y4-F111 VanDerWaalsContact O-CA 3.25Å; Y4-F111 WeakPolarHBondContact O-CA 3.39Å; Y4-I112 WeakPolarHBondContact O-CG1 3.49Å; Y4-I112 PolarHBondContact O-N 2.88Å; Y4-L151 HydrophobicContact CD2-CD2 4.46Å; Y4-L151 HydrophobicContact CG-CD2 4.36Å; Y4-L156 HydrophobicContact CD1-CD2 4.2Å; Y4-L156 HydrophobicContact CD2-CD2 3.94Å; Y4-L156 HydrophobicContact CE1-CB 3.88Å; Y4-L156 HydrophobicContact CE1-CD2 4.14Å; Y4-L156 HydrophobicContact CE1-CG 4.43Å; Y4-L156 HydrophobicContact CE2-CD1 3.85Å; Y4-L156 HydrophobicContact CE2-CD2 3.87Å; Y4-L156 HydrophobicContact CE2-CG 4.29Å; Y4-L156 HydrophobicContact CG-CD2 4.11Å
5I91.3Very high86.6Confident59 Ų5954.8 Ų54.830%0.30329%0.287SS..BIsolated β-bridgetrans-81.3137.2175.1-63.8177.1000108.7D2 V7 I112 A114D2-I5 PolarHBondContact O-N 3.17Å; I5-V7 PolarHBondContact O-N 2.84Å; I5-V7 VanDerWaalsContact O-N 3.07Å; I5-I112 HydrophobicContact CG1-CG1 4.47Å; I5-A114 HydrophobicContact CG2-CB 3.39Å
6N91.5Very high87Confident7 Ų751.5 Ų51.54%0.03727%0.27CS..  trans-65.6108.2172.2-177.974.8000110.1S91 Y92 S95 F111 I112N6-S91 PolarHBondContact ND2-OG 2.79Å; N6-S91 VanDerWaalsContact ND2-OG 3.15Å; N6-Y92 HydrophobicContact CB-CD2 4.06Å; N6-Y92 PolarHBondContact ND2-N 3.3Å; N6-S95 PolarHBondContact OD1-OG 3.21Å; N6-F111 HydrophobicContact CB-CB 4.45Å; N6-F111 HydrophobicContact CB-CD2 4.11Å; N6-I112 WeakPolarHBondContact CB-O 3.47Å; N6-I112 PolarHBondContact N-O 3.41Å
7V91.6Very high87.3Confident82 Ų8250.6 Ų50.650%0.49727%0.267SS..  trans-83.6122.9166.9-178.10000107.4I5 P9 P660I5-V7 PolarHBondContact O-N 2.84Å; I5-V7 VanDerWaalsContact O-N 3.07Å; V7-P9 VanDerWaalsContact O-CD 3.29Å; V7-P9 WeakPolarHBondContact O-CD 3.43Å; V7-P9 VanDerWaalsContact O-N 3.08Å; V7-P660 HydrophobicContact CB-CG 4.45Å; V7-P660 HydrophobicContact CG1-CG 4.14Å
8P94.1Very high87.3Confident33 Ų3357.3 Ų57.321%0.21430%0.296CS..  trans-51.2114.4-176.3-2733.4000112.3T87 H88 Y685P8-T87 HydrophobicContact CB-CG2 4.13Å; P8-T87 HydrophobicContact CG-CG2 4.09Å; P8-H88 VanDerWaalsContact CD-CE1 3.49Å; P8-H88 WeakPolarHBondContact CD-CE1 3.32Å; P8-Y685 WeakPolarHBondContact CA-OH 3.38Å; P8-Y685 HydrophobicContact CB-CE2 4.3Å; P8-Y685 WeakPolarHBondContact CB-OH 3.41Å
9P93.2Very high87.3Confident5 Ų554.9 Ų54.93%0.03229%0.286CS..  trans-79.6148.9-177.230.9-34.5000112.5V7 P660 R661 I663 Y685V7-P9 VanDerWaalsContact O-CD 3.29Å; V7-P9 WeakPolarHBondContact O-CD 3.43Å; V7-P9 VanDerWaalsContact O-N 3.08Å; P9-P660 HydrophobicContact CB-CB 4Å; P9-P660 HydrophobicContact CB-CG 4.36Å; P9-R661 WeakPolarHBondContact CB-O 3.27Å; P9-I663 HydrophobicContact CB-CG2 4.35Å; P9-I663 HydrophobicContact CG-CD1 4Å; P9-I663 HydrophobicContact CG-CG1 4.06Å; P9-I663 HydrophobicContact CG-CG2 3.91Å; P9-Y685 HydrophobicContact CG-CE1 4.19Å; P9-Y685 VanDerWaalsContact O-CE1 3.3Å; P9-Y685 WeakPolarHBondContact O-CE1 3.48Å; P9-Y685 PolarHBondContact O-OH 3.28Å
10P93.1Very high87.6Confident55 Ų5552.7 Ų52.736%0.35727%0.274SS..  trans-53.6146.3168.2-21.930.7000111.6P662 I663P10-P662 HydrophobicContact CB-CB 4.22Å; P10-P662 CarbonylContact O-C 3.56Å; P10-P662 WeakPolarHBondContact O-CA 3.42Å; P10-P662 WeakPolarHBondContact O-CB 3.37Å; P10-I663 PolarHBondContact O-N 3.45Å
11V94.3Very high87.8Confident22 Ų2257.5 Ų57.513%0.13329%0.293CS..EExtended strand (participates in β ladder)trans-112125.9177.9-176.20000109I663 V665 Y685 V688V11-I663 WeakPolarHBondContact CA-O 3.49Å; V11-I663 HydrophobicContact CG2-CD1 4.16Å; V11-I663 HydrophobicContact CG2-CG1 3.95Å; V11-V665 HydrophobicContact CG1-CG2 3.41Å; V11-V665 VanDerWaalsContact CG1-CG2 3.41Å; V11-Y685 HydrophobicContact CG2-CD1 3.69Å; V11-Y685 HydrophobicContact CG2-CE1 3.58Å; V11-Y685 HydrophobicContact CG2-CG 4.44Å; V11-V688 HydrophobicContact CG1-CG2 3.81Å
12H94Very high89.7Confident27 Ų2753.2 Ų53.213%0.12528%0.281CS..EExtended strand (participates in β ladder)trans-119.4151.3175.5-60.7-33.7000110.8A404 P662 I663 F664 V665H12-A404 HydrophobicContact CB-CB 4.24Å; H12-A404 PolarHBondContact CD2-O 2.95Å; H12-A404 VanDerWaalsContact CD2-O 3.27Å; H12-P662 WeakPolarHBondContact CD2-CB 3.4Å; H12-I663 PolarHBondContact N-O 3.39Å; H12-F664 HydrophobicContact CB-CD1 4.08Å; H12-F664 HydrophobicContact CB-CE1 4.12Å; H12-F664 CarbonylContact O-C 3.6Å; H12-F664 WeakPolarHBondContact O-CA 3.47Å; H12-V665 PolarHBondContact O-N 3.47Å
13Y94.1Very high91.2Very high21 Ų2147.4 Ų47.48%0.08225%0.25CC..EExtended strand (participates in β ladder)trans-101.8131.8175.3179.4-112.4000109.9D15 V665 S680 T683Y13-D15 HydrophobicContact CD1-CB 4.05Å; Y13-D15 HydrophobicContact CE1-CB 4.12Å; Y13-D15 PolarHBondContact O-N 2.72Å; Y13-V665 HydrophobicContact CD2-CB 4.08Å; Y13-V665 HydrophobicContact CD2-CG1 3.88Å; Y13-V665 WeakPolarHBondContact CD2-O 3.26Å; Y13-V665 HydrophobicContact CE2-CG1 4.37Å; Y13-S680 WeakPolarHBondContact OH-CA 3.41Å; Y13-S680 VanDerWaalsContact OH-CB 3.32Å; Y13-S680 WeakPolarHBondContact OH-CB 3.43Å; Y13-S680 PolarHBondContact OH-OG 3.28Å; Y13-T683 VanDerWaalsContact CB-CG2 3.43Å
14L93.5Very high92.2Very high0 Ų046.4 Ų46.40%025%0.252CS..  trans-80.799.1168.7-66.1-170.5000108.9V367 I375 V401 A404 F664 V665 Q666L14-V367 HydrophobicContact CD1-CB 4.26Å; L14-V367 HydrophobicContact CD1-CG1 4.02Å; L14-I375 HydrophobicContact CD1-CD1 3.68Å; L14-V401 HydrophobicContact CD1-CG2 4.19Å; L14-V401 HydrophobicContact CD2-CB 4.25Å; L14-V401 HydrophobicContact CD2-CG2 3.81Å; L14-A404 HydrophobicContact CD2-CB 4.05Å; L14-F664 HydrophobicContact CD1-CB 4.49Å; L14-F664 HydrophobicContact CD2-CD1 3.42Å; L14-F664 VanDerWaalsContact CD2-CD1 3.42Å; L14-F664 HydrophobicContact CD2-CE1 3.82Å; L14-F664 HydrophobicContact CD2-CG 4.19Å; L14-F664 HydrophobicContact CG-CB 4.17Å; L14-F664 HydrophobicContact CG-CD1 3.88Å; L14-F664 HydrophobicContact CG-CG 4.29Å; L14-V665 PolarHBondContact N-O 2.98Å; L14-V665 VanDerWaalsContact N-O 3.08Å; L14-Q666 HydrophobicContact CD1-CG 4.09Å
15D92.3Very high92.5Very high79 Ų7948.9 Ų48.942%0.42227%0.268SS..  trans-79.2126.7178.2-164.8-5.4000110.3Y13 T17 N400Y13-D15 HydrophobicContact CD1-CB 4.05Å; Y13-D15 HydrophobicContact CE1-CB 4.12Å; Y13-D15 PolarHBondContact O-N 2.72Å; D15-T17 WeakPolarHBondContact OD1-CB 3.36Å; D15-T17 PolarHBondContact OD1-N 3.2Å; D15-T17 PolarHBondContact OD1-OG1 3.27Å; D15-N400 WeakPolarHBondContact O-CB 3.37Å; D15-N400 PolarHBondContact O-ND2 3.05Å
16V92.9Very high92.8Very high2 Ų252.6 Ų52.61%0.01229%0.286CS..  trans-13313.6175.470.10000110.6E18 A19 F20 D366 V368 P667 L678V16-E18 PolarHBondContact O-N 3.48Å; V16-A19 HydrophobicContact CG2-CB 4.04Å; V16-A19 PolarHBondContact O-N 3.26Å; V16-F20 HydrophobicContact CG1-CB 4.49Å; V16-F20 VanDerWaalsContact O-CB 3.24Å; V16-F20 WeakPolarHBondContact O-CB 3.45Å; V16-F20 PolarHBondContact O-N 2.71Å; V16-D366 HydrophobicContact CG2-CB 3.85Å; V16-V368 HydrophobicContact CG1-CG2 4.33Å; V16-V368 HydrophobicContact CG2-CG2 3.7Å; V16-P667 HydrophobicContact CG1-CG 3.91Å; V16-L678 HydrophobicContact CG1-CD1 3.9Å; V16-L678 HydrophobicContact CG1-CD2 3.91Å
17T91.7Very high93.1Very high36 Ų3654 Ų5422%0.22129%0.292CS..Hα-helixtrans-59.8-45.3-167.3-56.20000112.2D15 K21D15-T17 WeakPolarHBondContact OD1-CB 3.36Å; D15-T17 PolarHBondContact OD1-N 3.2Å; D15-T17 PolarHBondContact OD1-OG1 3.27Å; T17-K21 HydrophobicContact CG2-CD 4.13Å; T17-K21 WeakPolarHBondContact O-CB 3.2Å; T17-K21 WeakPolarHBondContact O-CD 3.49Å; T17-K21 WeakPolarHBondContact O-CG 3.43Å; T17-K21 PolarHBondContact O-N 3.35Å; T17-K21 VanDerWaalsContact O-N 3.07Å
18E87.3Confident93.4Very high171 Ų17151.7 Ų51.780%0.79928%0.275SS*.Hα-helixtrans-70.1-47.6-179.3-63.9-167.7161.600111.8V16 F20 K21 S22V16-E18 PolarHBondContact O-N 3.48Å; E18-F20 PolarHBondContact O-N 2.71Å; E18-K21 PolarHBondContact O-N 2.96Å; E18-S22 PolarHBondContact O-N 3.3Å
19A88.9Confident93.6Very high13 Ų1352 Ų5211%0.10728%0.276CS..Hα-helixtrans-59.2-47.8177.800000111.3V16 K21 S22 V323 D366V16-A19 HydrophobicContact CG2-CB 4.04Å; V16-A19 PolarHBondContact O-N 3.26Å; A19-K21 PolarHBondContact O-N 3.36Å; A19-S22 PolarHBondContact O-N 2.91Å; A19-S22 PolarHBondContact O-OG 3.29Å; A19-V323 HydrophobicContact CB-CB 4.15Å; A19-V323 HydrophobicContact CB-CG1 3.98Å; A19-D366 HydrophobicContact CB-CB 4.14Å
20F93.1Very high93.8Very high9 Ų951.8 Ų51.84%0.03927%0.274CS..Hα-helixtrans-65.1-37.4179.3-171.3-91.6000113V16 E18 S22 L23 K28 V31 L669 V676 L678V16-F20 HydrophobicContact CG1-CB 4.49Å; V16-F20 VanDerWaalsContact O-CB 3.24Å; V16-F20 WeakPolarHBondContact O-CB 3.45Å; V16-F20 PolarHBondContact O-N 2.71Å; E18-F20 PolarHBondContact O-N 2.71Å; F20-S22 PolarHBondContact O-N 3.44Å; F20-L23 HydrophobicContact CD2-CD1 4.04Å; F20-L23 HydrophobicContact CE2-CD1 4.42Å; F20-L23 WeakPolarHBondContact O-CB 3.19Å; F20-L23 PolarHBondContact O-N 3.01Å; F20-K28 HydrophobicContact CE1-CD 3.97Å; F20-K28 HydrophobicContact CE1-CG 4.19Å; F20-K28 HydrophobicContact CE2-CG 4.17Å; F20-K28 HydrophobicContact CZ-CB 4.3Å; F20-K28 HydrophobicContact CZ-CD 4.03Å; F20-K28 HydrophobicContact CZ-CG 3.81Å; F20-K28 WeakPolarHBondContact O-CE 3.37Å; F20-V31 HydrophobicContact CE2-CG1 4.15Å; F20-L669 HydrophobicContact CE2-CD2 3.77Å; F20-L669 HydrophobicContact CZ-CD2 3.93Å; F20-V676 HydrophobicContact CZ-CG1 4.17Å; F20-L678 HydrophobicContact CB-CD2 4.27Å; F20-L678 HydrophobicContact CD1-CB 3.71Å; F20-L678 HydrophobicContact CD1-CD1 4.48Å; F20-L678 HydrophobicContact CD1-CD2 4.43Å; F20-L678 HydrophobicContact CD1-CG 4.44Å; F20-L678 HydrophobicContact CD2-CD1 4.26Å; F20-L678 HydrophobicContact CE1-CB 3.78Å; F20-L678 HydrophobicContact CG-CB 4.27Å; F20-L678 HydrophobicContact CG-CD1 4.21Å; F20-L678 HydrophobicContact CG-CD2 4.4Å; F20-L678 HydrophobicContact CZ-CB 4.4Å
21K91.9Very high94Very high154 Ų15449.2 Ų49.267%0.6726%0.257SS*.Hα-helixtrans-62.4-31.3175.9-82.1172.5-177.1172.80112.5T17 E18 A19 L23T17-K21 HydrophobicContact CG2-CD 4.13Å; T17-K21 WeakPolarHBondContact O-CB 3.2Å; T17-K21 WeakPolarHBondContact O-CD 3.49Å; T17-K21 WeakPolarHBondContact O-CG 3.43Å; T17-K21 PolarHBondContact O-N 3.35Å; T17-K21 VanDerWaalsContact O-N 3.07Å; E18-K21 PolarHBondContact O-N 2.96Å; A19-K21 PolarHBondContact O-N 3.36Å; K21-L23 VanDerWaalsContact C-N 3.25Å; K21-L23 PolarHBondContact O-N 3.33Å
22S89.4Confident94.2Very high93 Ų9348.5 Ų48.565%0.6525%0.252SS*.THydrogen-bonded Turntrans-73.8-14.2-179.378.90000114.2E18 A19 F20E18-S22 PolarHBondContact O-N 3.3Å; A19-S22 PolarHBondContact O-N 2.91Å; A19-S22 PolarHBondContact O-OG 3.29Å; F20-S22 PolarHBondContact O-N 3.44Å
23L94.1Very high94.4Very high8 Ų847.2 Ų47.24%0.04225%0.246CC..SBendtrans-73.3140.5179.2-60.1-178.6000112.3F20 K21 E27 K28 V31 V296 V323F20-L23 HydrophobicContact CD2-CD1 4.04Å; F20-L23 HydrophobicContact CE2-CD1 4.42Å; F20-L23 WeakPolarHBondContact O-CB 3.19Å; F20-L23 PolarHBondContact O-N 3.01Å; K21-L23 VanDerWaalsContact C-N 3.25Å; K21-L23 PolarHBondContact O-N 3.33Å; L23-E27 HydrophobicContact CB-CB 4Å; L23-E27 HydrophobicContact CD1-CB 4.5Å; L23-E27 HydrophobicContact CD2-CB 4.06Å; L23-E27 HydrophobicContact CG-CB 4.41Å; L23-K28 HydrophobicContact CB-CD 4.48Å; L23-K28 HydrophobicContact CB-CG 3.73Å; L23-K28 HydrophobicContact CD1-CG 4.17Å; L23-K28 WeakPolarHBondContact O-CE 3.33Å; L23-K28 PolarHBondContact O-NZ 3.39Å; L23-V31 HydrophobicContact CD1-CG2 3.89Å; L23-V296 HydrophobicContact CD2-CG1 3.54Å; L23-V323 HydrophobicContact CD1-CG2 3.83Å; L23-V323 HydrophobicContact CD2-CG1 3.78Å; L23-V323 HydrophobicContact CD2-CG2 4.34Å; L23-V323 HydrophobicContact CG-CG1 4.39Å; L23-V323 HydrophobicContact CG-CG2 4.43Å
24S95.3Very high94.7Very high50 Ų5046.2 Ų46.235%0.3524%0.242SC..  trans-64.8165.1163.869.80000111.7M26 E27 K28S24-M26 VanDerWaalsContact C-N 3.31Å; S24-M26 PolarHBondContact O-N 3.32Å; S24-E27 VanDerWaalsContact CB-OE2 3.26Å; S24-E27 WeakPolarHBondContact CB-OE2 3.34Å; S24-E27 PolarHBondContact N-OE2 3.07Å; S24-E27 PolarHBondContact O-N 2.93Å; S24-E27 VanDerWaalsContact OG-CD 3.22Å; S24-E27 WeakPolarHBondContact OG-CG 3.18Å; S24-E27 PolarHBondContact OG-N 3Å; S24-E27 PolarHBondContact OG-OE2 2.88Å; S24-K28 WeakPolarHBondContact O-CG 3.4Å; S24-K28 PolarHBondContact O-N 3.32Å
25N96Very high94.9Very high101 Ų10146.3 Ų46.354%0.5424%0.243SC..Hα-helixtrans-63.1-37178.9-70.3-11.1000112.6K28 D29N25-K28 PolarHBondContact O-N 3.42Å; N25-D29 PolarHBondContact O-N 3.07Å
26M96.8Very high95.2Very high137 Ų13742.9 Ų42.968%0.67522%0.224SC*.Hα-helixtrans-65.3-43.1177.3-61.4-176-48.700111.5S24 K28 D29 Y30 L259S24-M26 VanDerWaalsContact C-N 3.31Å; S24-M26 PolarHBondContact O-N 3.32Å; M26-K28 VanDerWaalsContact C-N 3.31Å; M26-K28 PolarHBondContact O-N 3.27Å; M26-D29 PolarHBondContact O-N 2.73Å; M26-Y30 PolarHBondContact O-N 2.81Å; M26-L259 HydrophobicContact CB-CD2 4.37Å
27E97.6Very high95.4Very high35 Ų3542.8 Ų42.816%0.16422%0.224CC..Hα-helixtrans-62.8-38.5175.2-72.7157.5154.900111.4L23 S24 Y30 V31 L259 V296 V297L23-E27 HydrophobicContact CB-CB 4Å; L23-E27 HydrophobicContact CD1-CB 4.5Å; L23-E27 HydrophobicContact CD2-CB 4.06Å; L23-E27 HydrophobicContact CG-CB 4.41Å; S24-E27 VanDerWaalsContact CB-OE2 3.26Å; S24-E27 WeakPolarHBondContact CB-OE2 3.34Å; S24-E27 PolarHBondContact N-OE2 3.07Å; S24-E27 PolarHBondContact O-N 2.93Å; S24-E27 VanDerWaalsContact OG-CD 3.22Å; S24-E27 WeakPolarHBondContact OG-CG 3.18Å; S24-E27 PolarHBondContact OG-N 3Å; S24-E27 PolarHBondContact OG-OE2 2.88Å; E27-Y30 PolarHBondContact O-N 2.77Å; E27-V31 VanDerWaalsContact O-CG2 3.3Å; E27-V31 WeakPolarHBondContact O-CG2 3.48Å; E27-V31 PolarHBondContact O-N 3.45Å; E27-L259 HydrophobicContact CB-CD1 4.45Å; E27-L259 HydrophobicContact CG-CD1 3.67Å; E27-L259 HydrophobicContact CG-CD2 4.08Å; E27-V296 HydrophobicContact CG-CG1 4.45Å; E27-V296 WeakPolarHBondContact OE1-CG1 3.46Å; E27-V297 HydrophobicContact CB-CG2 4.24Å
28K97.8Very high95.7Very high34 Ų3441.1 Ų41.115%0.14821%0.214CC..Hα-helixtrans-67.8-38.4175.6-69.9174.8-178.2161.70113F20 L23 S24 N25 M26 Y30 V31 F32 V676F20-K28 HydrophobicContact CE1-CD 3.97Å; F20-K28 HydrophobicContact CE1-CG 4.19Å; F20-K28 HydrophobicContact CE2-CG 4.17Å; F20-K28 HydrophobicContact CZ-CB 4.3Å; F20-K28 HydrophobicContact CZ-CD 4.03Å; F20-K28 HydrophobicContact CZ-CG 3.81Å; F20-K28 WeakPolarHBondContact O-CE 3.37Å; L23-K28 HydrophobicContact CB-CD 4.48Å; L23-K28 HydrophobicContact CB-CG 3.73Å; L23-K28 HydrophobicContact CD1-CG 4.17Å; L23-K28 WeakPolarHBondContact O-CE 3.33Å; L23-K28 PolarHBondContact O-NZ 3.39Å; S24-K28 WeakPolarHBondContact O-CG 3.4Å; S24-K28 PolarHBondContact O-N 3.32Å; N25-K28 PolarHBondContact O-N 3.42Å; M26-K28 VanDerWaalsContact C-N 3.31Å; M26-K28 PolarHBondContact O-N 3.27Å; K28-Y30 VanDerWaalsContact C-N 3.33Å; K28-V31 PolarHBondContact O-N 2.87Å; K28-F32 WeakPolarHBondContact O-CB 3.38Å; K28-F32 PolarHBondContact O-N 3.02Å; K28-V676 HydrophobicContact CB-CB 4.12Å
29D97.8Very high96.3Very high41 Ų4133 Ų3322%0.21918%0.176CC..Hα-helixtrans-63.7-40.9173.3-78.8-42.5000110.8N25 M26 F32 S33 K671N25-D29 PolarHBondContact O-N 3.07Å; M26-D29 PolarHBondContact O-N 2.73Å; D29-F32 WeakPolarHBondContact O-CB 3.38Å; D29-F32 PolarHBondContact O-N 3.19Å; D29-S33 PolarHBondContact O-N 3.25Å; D29-S33 PolarHBondContact O-OG 3.18Å; D29-K671 IonicContact OD1-NZ 3.59Å; D29-K671 PolarHBondContact OD1-NZ 3.34Å
30Y98.3Very high96.7Very high0 Ų032.4 Ų32.40%017%0.171CC..Hα-helixtrans-62.4-49.9173.6-173.3-134000111.8M26 E27 K28 F32 S33 C34 A254 H257 L259 E263 W267 V297 N299M26-Y30 PolarHBondContact O-N 2.81Å; E27-Y30 PolarHBondContact O-N 2.77Å; K28-Y30 VanDerWaalsContact C-N 3.33Å; Y30-F32 VanDerWaalsContact C-N 3.26Å; Y30-F32 PolarHBondContact O-N 2.85Å; Y30-S33 PolarHBondContact O-N 2.95Å; Y30-S33 VanDerWaalsContact O-N 3.12Å; Y30-S33 PolarHBondContact O-OG 2.78Å; Y30-C34 WeakPolarHBondContact CE2-SG 2.86Å; Y30-C34 PolarHBondContact O-N 3.49Å; Y30-C34 PolarHBondContact O-SG 3.17Å; Y30-A254 WeakPolarHBondContact CE2-O 3.43Å; Y30-H257 WeakPolarHBondContact CB-O 3.28Å; Y30-H257 HydrophobicContact CD2-CB 4.13Å; Y30-H257 WeakPolarHBondContact CD2-O 3.41Å; Y30-L259 HydrophobicContact CD1-CD1 3.84Å; Y30-L259 HydrophobicContact CD1-CG 3.79Å; Y30-L259 HydrophobicContact CE1-CD1 4.44Å; Y30-L259 HydrophobicContact CE1-CG 4.39Å; Y30-L259 HydrophobicContact CG-CG 4.21Å; Y30-E263 WeakPolarHBondContact CE1-OE1 3.47Å; Y30-W267 AromaticContact CE2-NE1 3.52Å; Y30-W267 AromaticContact CZ-NE1 3.66Å; Y30-W267 PolarHBondContact OH-NE1 3.21Å; Y30-V297 HydrophobicContact CD1-CB 3.79Å; Y30-V297 HydrophobicContact CD1-CG1 3.8Å; Y30-V297 HydrophobicContact CD1-CG2 4.28Å; Y30-V297 HydrophobicContact CE1-CB 4.07Å; Y30-V297 HydrophobicContact CE1-CG1 4.04Å; Y30-N299 PolarHBondContact OH-ND2 3.38Å
31V98.1Very high97Very high0 Ų032 Ų320%017%0.169CC..Hα-helixtrans-52-46.1173.8168.80000111.1F20 L23 E27 K28 C34 T35 V297 V321 V368 L669F20-V31 HydrophobicContact CE2-CG1 4.15Å; L23-V31 HydrophobicContact CD1-CG2 3.89Å; E27-V31 VanDerWaalsContact O-CG2 3.3Å; E27-V31 WeakPolarHBondContact O-CG2 3.48Å; E27-V31 PolarHBondContact O-N 3.45Å; K28-V31 PolarHBondContact O-N 2.87Å; V31-C34 PolarHBondContact O-N 2.68Å; V31-T35 VanDerWaalsContact O-CB 3.27Å; V31-T35 WeakPolarHBondContact O-CB 3.28Å; V31-T35 PolarHBondContact O-N 3.35Å; V31-T35 PolarHBondContact O-OG1 2.83Å; V31-T35 VanDerWaalsContact O-OG1 3.09Å; V31-V297 HydrophobicContact CG2-CB 4.24Å; V31-V297 HydrophobicContact CG2-CG1 3.55Å; V31-V297 HydrophobicContact CG2-CG2 3.59Å; V31-V321 HydrophobicContact CB-CG1 4.46Å; V31-V321 HydrophobicContact CG1-CG1 4.12Å; V31-V321 HydrophobicContact CG2-CG1 4.34Å; V31-V368 HydrophobicContact CG1-CB 4.4Å; V31-V368 HydrophobicContact CG1-CG1 3.91Å; V31-V368 HydrophobicContact CG1-CG2 4.36Å; V31-L669 HydrophobicContact CG1-CD1 3.78Å
32F98.3Very high97.2Very high7 Ų724.7 Ų24.73%0.03114%0.137CC..Hα-helixtrans-60.7-47.4178.6-175-92.9000112.6K28 D29 Y30 T35 Q36 L669 K671 V676 L699 P700K28-F32 WeakPolarHBondContact O-CB 3.38Å; K28-F32 PolarHBondContact O-N 3.02Å; D29-F32 WeakPolarHBondContact O-CB 3.38Å; D29-F32 PolarHBondContact O-N 3.19Å; Y30-F32 VanDerWaalsContact C-N 3.26Å; Y30-F32 PolarHBondContact O-N 2.85Å; F32-T35 PolarHBondContact O-N 3.37Å; F32-Q36 PolarHBondContact O-N 3.27Å; F32-L669 HydrophobicContact CD2-CB 3.79Å; F32-L669 HydrophobicContact CD2-CD1 4.43Å; F32-L669 HydrophobicContact CE2-CB 4.19Å; F32-K671 HydrophobicContact CE1-CB 4.46Å; F32-K671 HydrophobicContact CE1-CD 4.42Å; F32-K671 HydrophobicContact CE2-CB 4.21Å; F32-K671 HydrophobicContact CZ-CB 4.04Å; F32-V676 HydrophobicContact CB-CG1 4Å; F32-V676 HydrophobicContact CB-CG2 3.77Å; F32-V676 HydrophobicContact CD2-CG1 3.77Å; F32-V676 HydrophobicContact CD2-CG2 4.21Å; F32-V676 HydrophobicContact CG-CG1 4.26Å; F32-V676 HydrophobicContact CG-CG2 4.06Å; F32-L699 HydrophobicContact CE2-CD2 4.48Å; F32-L699 HydrophobicContact CZ-CD2 4.36Å; F32-P700 HydrophobicContact CE1-CG 4.05Å; F32-P700 HydrophobicContact CZ-CG 4.29Å
33S98.3Very high97.7Very high0 Ų020.2 Ų20.20%011%0.106CC..Hα-helixtrans-62.9-42.9179.266.30000112.3D29 Y30 Q36 A37 D253 A254D29-S33 PolarHBondContact O-N 3.25Å; D29-S33 PolarHBondContact O-OG 3.18Å; Y30-S33 PolarHBondContact O-N 2.95Å; Y30-S33 VanDerWaalsContact O-N 3.12Å; Y30-S33 PolarHBondContact O-OG 2.78Å; S33-Q36 PolarHBondContact O-N 3.01Å; S33-A37 PolarHBondContact O-N 3.15Å; S33-D253 WeakPolarHBondContact CB-OD2 3.32Å; S33-A254 WeakPolarHBondContact OG-CA 3.48Å
34C98.4Very high97.9Very high0 Ų019.9 Ų19.90%010%0.104CC..Hα-helixtrans-64.6-44.2175-61.40000111.3Y30 V31 Q36 A37 S38 W267 V321Y30-C34 WeakPolarHBondContact CE2-SG 2.86Å; Y30-C34 PolarHBondContact O-N 3.49Å; Y30-C34 PolarHBondContact O-SG 3.17Å; V31-C34 PolarHBondContact O-N 2.68Å; C34-Q36 VanDerWaalsContact C-N 3.28Å; C34-Q36 PolarHBondContact O-N 2.88Å; C34-A37 WeakPolarHBondContact O-CB 3.46Å; C34-A37 PolarHBondContact O-N 3.47Å; C34-A37 VanDerWaalsContact O-N 3.1Å; C34-S38 PolarHBondContact O-N 3.37Å; C34-S38 PolarHBondContact O-OG 3.47Å; C34-S38 VanDerWaalsContact O-OG 3.1Å; C34-W267 HydrophobicContact CB-CZ2 4.19Å; C34-W267 VanDerWaalsContact SG-CZ2 3.54Å; C34-V321 HydrophobicContact CB-CB 4.49Å; C34-V321 HydrophobicContact CB-CG1 4.11Å; C34-V321 HydrophobicContact CB-CG2 3.51Å
35T98.2Very high98Very high3 Ų317.6 Ų17.62%0.0189%0.089CC..Hα-helixtrans-60.6-37177.8-75.30000111.7V31 F32 S38 W39 T369 L669V31-T35 VanDerWaalsContact O-CB 3.27Å; V31-T35 WeakPolarHBondContact O-CB 3.28Å; V31-T35 PolarHBondContact O-N 3.35Å; V31-T35 PolarHBondContact O-OG1 2.83Å; V31-T35 VanDerWaalsContact O-OG1 3.09Å; F32-T35 PolarHBondContact O-N 3.37Å; T35-S38 PolarHBondContact O-N 3.12Å; T35-W39 VanDerWaalsContact CG2-CD1 3.49Å; T35-W39 PolarHBondContact O-N 2.95Å; T35-W39 VanDerWaalsContact O-N 3.09Å; T35-T369 HydrophobicContact CG2-CG2 4.3Å; T35-T369 VanDerWaalsContact CG2-OG1 3.29Å; T35-T369 WeakPolarHBondContact CG2-OG1 3.47Å; T35-T369 PolarHBondContact OG1-OG1 3.49Å; T35-T369 VanDerWaalsContact OG1-OG1 3.04Å; T35-L669 HydrophobicContact CG2-CD1 3.86Å; T35-L669 HydrophobicContact CG2-CG 4.49Å
36Q98.2Very high98.1Very high6 Ų612.8 Ų12.83%0.0286%0.064CC..Hα-helixtrans-60.9-48.3173.3-176.1172.4-119.500111.2F32 S33 C34 S38 W39 I40 L699 P700F32-Q36 PolarHBondContact O-N 3.27Å; S33-Q36 PolarHBondContact O-N 3.01Å; C34-Q36 VanDerWaalsContact C-N 3.28Å; C34-Q36 PolarHBondContact O-N 2.88Å; Q36-S38 VanDerWaalsContact C-N 3.33Å; Q36-S38 PolarHBondContact O-N 3.16Å; Q36-W39 PolarHBondContact O-N 2.83Å; Q36-I40 HydrophobicContact CG-CD1 3.95Å; Q36-I40 VanDerWaalsContact O-CG1 3.31Å; Q36-I40 WeakPolarHBondContact O-CG1 3.39Å; Q36-I40 PolarHBondContact O-N 3.38Å; Q36-I40 VanDerWaalsContact O-N 3.15Å; Q36-L699 HydrophobicContact CB-CD2 3.88Å; Q36-L699 HydrophobicContact CG-CD2 4.21Å; Q36-P700 VanDerWaalsContact OE1-CB 3.28Å
37A98.5Very high98.2Very high0 Ų06.8 Ų6.80%03%0.034CC..Hα-helixtrans-57.9-46.5176.600000111.4S33 C34 W39 I40 G41 L247 C250 W267 I301S33-A37 PolarHBondContact O-N 3.15Å; C34-A37 WeakPolarHBondContact O-CB 3.46Å; C34-A37 PolarHBondContact O-N 3.47Å; C34-A37 VanDerWaalsContact O-N 3.1Å; A37-W39 PolarHBondContact O-N 3.01Å; A37-I40 PolarHBondContact O-N 3.45Å; A37-G41 PolarHBondContact O-N 2.96Å; A37-L247 WeakPolarHBondContact O-CD2 3.44Å; A37-C250 HydrophobicContact CB-CB 3.66Å; A37-W267 HydrophobicContact CB-CH2 4.01Å; A37-W267 HydrophobicContact CB-CZ3 4.2Å; A37-I301 HydrophobicContact CB-CD1 3.82Å
38S98.4Very high98.3Very high1 Ų15.3 Ų5.31%0.0073%0.027CC..Hα-helixtrans-57.6-51.1-179.5-58.10000112.4C34 T35 Q36 G41 G42 S319 V321 A371C34-S38 PolarHBondContact O-N 3.37Å; C34-S38 PolarHBondContact O-OG 3.47Å; C34-S38 VanDerWaalsContact O-OG 3.1Å; T35-S38 PolarHBondContact O-N 3.12Å; Q36-S38 VanDerWaalsContact C-N 3.33Å; Q36-S38 PolarHBondContact O-N 3.16Å; S38-G41 PolarHBondContact O-N 3.48Å; S38-G42 PolarHBondContact O-N 2.9Å; S38-S319 WeakPolarHBondContact CB-OG 3.28Å; S38-S319 WeakPolarHBondContact OG-CB 3.26Å; S38-S319 PolarHBondContact OG-OG 2.88Å; S38-V321 WeakPolarHBondContact OG-CG2 3.11Å; S38-A371 WeakPolarHBondContact O-CB 3.48Å
39W98.3Very high98.3Very high1 Ų13.8 Ų3.80%0.0042%0.02CC..Hα-helixtrans-73.1-32.8-175.5-72119.6000113.7T35 Q36 A37 F100 T369 A371 Q666 F692 R695 Y696 L699T35-W39 VanDerWaalsContact CG2-CD1 3.49Å; T35-W39 PolarHBondContact O-N 2.95Å; T35-W39 VanDerWaalsContact O-N 3.09Å; Q36-W39 PolarHBondContact O-N 2.83Å; A37-W39 PolarHBondContact O-N 3.01Å; W39-F100 AromaticContact CE3-CZ 3.91Å; W39-F100 HydrophobicContact CE3-CZ 3.91Å; W39-F100 AromaticContact CZ3-CE2 3.99Å; W39-F100 HydrophobicContact CZ3-CE2 3.99Å; W39-F100 AromaticContact CZ3-CZ 3.6Å; W39-F100 HydrophobicContact CZ3-CZ 3.6Å; W39-T369 HydrophobicContact CD2-CG2 4.23Å; W39-T369 HydrophobicContact CG-CG2 4.41Å; W39-T369 HydrophobicContact CZ2-CG2 3.9Å; W39-T369 PolarHBondContact NE1-OG1 2.69Å; W39-A371 HydrophobicContact CD2-CB 4.15Å; W39-A371 HydrophobicContact CE3-CB 3.8Å; W39-A371 HydrophobicContact CZ3-CB 4.1Å; W39-Q666 HydrophobicContact CZ2-CB 4.44Å; W39-F692 HydrophobicContact CH2-CE1 4.5Å; W39-F692 HydrophobicContact CH2-CZ 4.38Å; W39-F692 AromaticContact CZ3-CE1 3.89Å; W39-F692 HydrophobicContact CZ3-CE1 3.89Å; W39-F692 HydrophobicContact CZ3-CZ 4.16Å; W39-R695 HydrophobicContact CD2-CG 4.36Å; W39-R695 VanDerWaalsContact CG-CD 3.48Å; W39-R695 HydrophobicContact CG-CG 4.05Å; W39-R695 VanDerWaalsContact CH2-CZ 3.47Å; W39-R695 VanDerWaalsContact CZ2-NE 3.32Å; W39-R695 VanDerWaalsContact CZ3-NH1 3.35Å; W39-Y696 PolarHBondContact O-OH 3.21Å; W39-L699 HydrophobicContact CB-CD1 3.85Å; W39-L699 HydrophobicContact CG-CD1 4.36Å
40I98.3Very high98.2Very high0 Ų01.9 Ų1.90%01%0.011CC..Hα-helixtrans-64.4-46.2171.9-66179.6000110.1Q36 A37 L43 L243 L246 L247 C250 L701 A705Q36-I40 HydrophobicContact CG-CD1 3.95Å; Q36-I40 VanDerWaalsContact O-CG1 3.31Å; Q36-I40 WeakPolarHBondContact O-CG1 3.39Å; Q36-I40 PolarHBondContact O-N 3.38Å; Q36-I40 VanDerWaalsContact O-N 3.15Å; A37-I40 PolarHBondContact O-N 3.45Å; I40-L43 WeakPolarHBondContact O-CB 3.27Å; I40-L43 PolarHBondContact O-N 3.03Å; I40-L243 HydrophobicContact CG2-CD2 4.04Å; I40-L246 HydrophobicContact CD1-CB 4.32Å; I40-L246 HydrophobicContact CG2-CB 3.87Å; I40-L246 HydrophobicContact CG2-CD1 4.44Å; I40-L247 HydrophobicContact CG2-CD2 4.45Å; I40-L247 HydrophobicContact CG2-CG 4.33Å; I40-C250 WeakPolarHBondContact CD1-SG 3.33Å; I40-L701 HydrophobicContact CD1-CB 3.53Å; I40-L701 HydrophobicContact CD1-CD1 4.09Å; I40-L701 HydrophobicContact CD1-CG 4.45Å; I40-A705 HydrophobicContact CB-CB 4.44Å; I40-A705 HydrophobicContact CD1-CB 4.47Å; I40-A705 HydrophobicContact CG1-CB 3.91Å; I40-A705 HydrophobicContact CG2-CB 4.15Å
41G98.2Very high98.2Very high0 Ų02.5 Ų2.50%02%0.015CC..Hα-helixtrans-64.8-39178.600000113.1A37 S38 L43 I44 F317A37-G41 PolarHBondContact O-N 2.96Å; S38-G41 PolarHBondContact O-N 3.48Å; G41-L43 PolarHBondContact O-N 3.4Å; G41-L43 VanDerWaalsContact O-N 3.09Å; G41-I44 VanDerWaalsContact O-CB 3.24Å; G41-I44 WeakPolarHBondContact O-CB 3.39Å; G41-I44 WeakPolarHBondContact O-CG1 3.43Å; G41-I44 PolarHBondContact O-N 3.27Å; G41-F317 VanDerWaalsContact O-CD1 3.23Å; G41-F317 WeakPolarHBondContact O-CD1 3.35Å
42G97.9Very high98.2Very high1 Ų12.8 Ų2.81%0.012%0.016CC..Hα-helixtrans-56-28.6177.500000114.1S38 I44 G45 F100S38-G42 PolarHBondContact O-N 2.9Å; G42-I44 PolarHBondContact O-N 3.07Å; G42-I44 VanDerWaalsContact O-N 3.13Å; G42-G45 PolarHBondContact O-N 3.34Å; G42-F100 WeakPolarHBondContact O-CD1 3.39Å; G42-F100 WeakPolarHBondContact O-CE1 3.32Å
43L98.6Very high98.2Very high0 Ų02.5 Ų2.50%02%0.015CC..Hα-helixtrans-59.5-23.5175.1-65.6-176.9000113.2I40 G41 G45 L46 F57 L243 Y696 A705 L706 L709I40-L43 WeakPolarHBondContact O-CB 3.27Å; I40-L43 PolarHBondContact O-N 3.03Å; G41-L43 PolarHBondContact O-N 3.4Å; G41-L43 VanDerWaalsContact O-N 3.09Å; L43-G45 VanDerWaalsContact C-N 3.25Å; L43-G45 PolarHBondContact O-N 2.71Å; L43-L46 HydrophobicContact CD2-CD1 3.85Å; L43-L46 WeakPolarHBondContact O-CB 3.45Å; L43-L46 PolarHBondContact O-N 2.84Å; L43-F57 HydrophobicContact CD2-CD1 4.34Å; L43-F57 HydrophobicContact CD2-CE1 3.69Å; L43-F57 HydrophobicContact CD2-CE2 4.45Å; L43-F57 HydrophobicContact CD2-CZ 3.77Å; L43-L243 HydrophobicContact CB-CD1 4.06Å; L43-L243 HydrophobicContact CB-CD2 4.47Å; L43-L243 HydrophobicContact CD1-CD2 4.19Å; L43-Y696 HydrophobicContact CD1-CE1 3.8Å; L43-Y696 HydrophobicContact CD2-CE1 3.86Å; L43-Y696 HydrophobicContact CD2-CE2 4.44Å; L43-Y696 WeakPolarHBondContact CD2-OH 3.21Å; L43-Y696 HydrophobicContact CG-CE1 3.92Å; L43-A705 HydrophobicContact CD1-CB 3.77Å; L43-L706 HydrophobicContact CD1-CD2 4.48Å; L43-L709 HydrophobicContact CB-CD1 4.33Å; L43-L709 HydrophobicContact CD1-CB 4.27Å; L43-L709 HydrophobicContact CD1-CD2 4.5Å; L43-L709 HydrophobicContact CD2-CD2 4.15Å
44I98.7Very high98.2Very high0 Ų02.5 Ų2.50%02%0.015CC..Hα-helixtrans-61.6-35.5174.1-63.1171.4000110.8G41 G42 L46 I47 Q48 Y240 L243 M244 L247 F303 F317G41-I44 VanDerWaalsContact O-CB 3.24Å; G41-I44 WeakPolarHBondContact O-CB 3.39Å; G41-I44 WeakPolarHBondContact O-CG1 3.43Å; G41-I44 PolarHBondContact O-N 3.27Å; G42-I44 PolarHBondContact O-N 3.07Å; G42-I44 VanDerWaalsContact O-N 3.13Å; I44-L46 PolarHBondContact O-N 2.71Å; I44-I47 WeakPolarHBondContact O-CA 3.39Å; I44-I47 WeakPolarHBondContact O-CB 3.29Å; I44-I47 PolarHBondContact O-N 3.36Å; I44-Q48 HydrophobicContact CG2-CG 4.04Å; I44-Q48 PolarHBondContact O-N 3.43Å; I44-Y240 HydrophobicContact CD1-CD2 4.47Å; I44-Y240 HydrophobicContact CG1-CG 4.41Å; I44-Y240 HydrophobicContact CG2-CD1 4.32Å; I44-Y240 HydrophobicContact CG2-CD2 3.99Å; I44-Y240 HydrophobicContact CG2-CE1 4.15Å; I44-Y240 HydrophobicContact CG2-CE2 3.82Å; I44-Y240 HydrophobicContact CG2-CG 4.22Å; I44-L243 HydrophobicContact CG1-CD1 3.88Å; I44-M244 HydrophobicContact CD1-CE 3.63Å; I44-M244 HydrophobicContact CD1-SD 4.49Å; I44-L247 HydrophobicContact CD1-CD1 4.06Å; I44-F303 HydrophobicContact CD1-CZ 4.28Å; I44-F303 HydrophobicContact CG2-CE1 4.04Å; I44-F303 HydrophobicContact CG2-CZ 4.37Å; I44-F317 HydrophobicContact CB-CB 3.99Å; I44-F317 HydrophobicContact CB-CG 4.32Å; I44-F317 HydrophobicContact CD1-CD2 3.75Å; I44-F317 HydrophobicContact CD1-CE2 4.11Å; I44-F317 HydrophobicContact CD1-CG 4.17Å; I44-F317 HydrophobicContact CG2-CB 4.01Å
45G97.8Very high98.2Very high3 Ų32.5 Ų2.53%0.0312%0.015CC..Hα-helixtrans-57.7-30.717800000113.8G42 L43 Q48 T49G42-G45 PolarHBondContact O-N 3.34Å; L43-G45 VanDerWaalsContact C-N 3.25Å; L43-G45 PolarHBondContact O-N 2.71Å; G45-Q48 PolarHBondContact O-N 3.13Å; G45-T49 WeakPolarHBondContact O-CB 3.3Å; G45-T49 PolarHBondContact O-N 3.46Å; G45-T49 PolarHBondContact O-OG1 3.25Å
46L98.5Very high98.2Very high0 Ų02.4 Ų2.40%01%0.014CC..Hα-helixtrans-65.2-39.6173.8-68.1158000111.8L43 I44 S53 A54 F57 F100 L709L43-L46 HydrophobicContact CD2-CD1 3.85Å; L43-L46 WeakPolarHBondContact O-CB 3.45Å; L43-L46 PolarHBondContact O-N 2.84Å; I44-L46 PolarHBondContact O-N 2.71Å; L46-S53 VanDerWaalsContact O-CB 3.3Å; L46-S53 WeakPolarHBondContact O-CB 3.37Å; L46-A54 HydrophobicContact CB-CB 4.11Å; L46-F57 HydrophobicContact CD1-CB 3.68Å; L46-F57 HydrophobicContact CD1-CD1 3.77Å; L46-F57 HydrophobicContact CD1-CD2 3.67Å; L46-F57 HydrophobicContact CD1-CE1 4.36Å; L46-F57 HydrophobicContact CD1-CE2 4.27Å; L46-F57 HydrophobicContact CD1-CG 3.41Å; L46-F57 VanDerWaalsContact CD1-CG 3.41Å; L46-F57 HydrophobicContact CD2-CB 3.67Å; L46-F57 HydrophobicContact CD2-CD2 4.04Å; L46-F57 HydrophobicContact CD2-CG 4.08Å; L46-F57 HydrophobicContact CG-CB 4.33Å; L46-F57 HydrophobicContact CG-CD2 4.46Å; L46-F57 HydrophobicContact CG-CG 4.41Å; L46-F100 WeakPolarHBondContact CA-O 3.41Å; L46-F100 HydrophobicContact CD1-CD1 4.46Å; L46-F100 WeakPolarHBondContact CD2-O 3.24Å; L46-F100 HydrophobicContact CG-CD1 4.1Å; L46-L709 HydrophobicContact CB-CD1 4.46Å; L46-L709 HydrophobicContact CD1-CD1 4.41Å; L46-L709 HydrophobicContact CD1-CD2 3.79Å
47I98.5Very high98.2Very high10 Ų102.2 Ų2.25%0.0511%0.013CC..Hα-helixtrans-74.6-29.2177.6-54.6-67.4000111.1I44 A54 S167 Y240 L709 I712 W713I44-I47 WeakPolarHBondContact O-CA 3.39Å; I44-I47 WeakPolarHBondContact O-CB 3.29Å; I44-I47 PolarHBondContact O-N 3.36Å; I47-A54 HydrophobicContact CD1-CB 3.65Å; I47-S167 VanDerWaalsContact O-CB 3.24Å; I47-S167 WeakPolarHBondContact O-CB 3.28Å; I47-S167 PolarHBondContact O-OG 3.37Å; I47-Y240 HydrophobicContact CB-CE1 4.1Å; I47-Y240 HydrophobicContact CG2-CD1 4.27Å; I47-Y240 HydrophobicContact CG2-CE1 3.67Å; I47-L709 HydrophobicContact CD1-CD1 3.8Å; I47-L709 HydrophobicContact CG1-CD1 3.83Å; I47-I712 HydrophobicContact CD1-CG2 4.03Å; I47-I712 HydrophobicContact CG1-CG2 4.02Å; I47-I712 HydrophobicContact CG2-CG2 4.24Å; I47-W713 HydrophobicContact CD1-CB 3.82Å
48Q98.3Very high98.2Very high5 Ų52.2 Ų2.22%0.0231%0.013CC..Hα-helixtrans-81.8-13.1177-67.8-179.2-56.800114I44 G45 S167 Y168 Y240 A315I44-Q48 HydrophobicContact CG2-CG 4.04Å; I44-Q48 PolarHBondContact O-N 3.43Å; G45-Q48 PolarHBondContact O-N 3.13Å; Q48-S167 WeakPolarHBondContact CA-OG 3.27Å; Q48-S167 PolarHBondContact O-OG 2.93Å; Q48-Y168 HydrophobicContact CB-CE1 4.47Å; Q48-Y168 HydrophobicContact CB-CE2 4.48Å; Q48-Y168 HydrophobicContact CG-CE1 4.33Å; Q48-Y240 WeakPolarHBondContact CG-OH 3.38Å; Q48-A315 PolarHBondContact NE2-O 3.23Å
49T97.8Very high98.2Very high1 Ų12.2 Ų2.21%0.0061%0.013CC..Hα-helixtrans-86.6-67.9179.5-63.90000112.1G45 F100 Y103 S167 R308G45-T49 WeakPolarHBondContact O-CB 3.3Å; G45-T49 PolarHBondContact O-N 3.46Å; G45-T49 PolarHBondContact O-OG1 3.25Å; T49-F100 PolarHBondContact OG1-O 2.93Å; T49-Y103 HydrophobicContact CG2-CD2 3.96Å; T49-Y103 HydrophobicContact CG2-CG 4.38Å; T49-S167 PolarHBondContact N-OG 2.88Å; T49-S167 PolarHBondContact O-OG 2.88Å; T49-R308 PolarHBondContact OG1-NH1 3.12Å
50S97.5Very high98.2Very high2 Ų22.2 Ų2.21%0.0141%0.013CC..  trans-152.8157.9-176.776.50000112.4E52 S53 N102S50-E52 PolarHBondContact O-N 3.44Å; S50-E52 VanDerWaalsContact O-N 3.1Å; S50-S53 PolarHBondContact O-N 3.09Å; S50-S53 VanDerWaalsContact O-N 3.16Å; S50-S53 WeakPolarHBondContact OG-CB 3.29Å; S50-S53 PolarHBondContact OG-N 2.85Å; S50-S53 PolarHBondContact OG-OG 3.12Å; S50-N102 PolarHBondContact OG-OD1 2.95Å
51P97.4Very high98.1Very high13 Ų132.8 Ų2.88%0.0842%0.017CC..THydrogen-bonded Turntrans-58.4-25.8-179.2-25.535.7000114.3I165 W713 F720P51-I165 HydrophobicContact CG-CD1 3.98Å; P51-W713 PolarHBondContact O-NE1 3.43Å; P51-F720 HydrophobicContact CB-CB 3.84Å; P51-F720 HydrophobicContact CB-CD2 4.17Å; P51-F720 HydrophobicContact CB-CG 4.03Å; P51-F720 HydrophobicContact CG-CB 3.55Å; P51-F720 HydrophobicContact CG-CD1 3.79Å; P51-F720 HydrophobicContact CG-CD2 3.98Å; P51-F720 HydrophobicContact CG-CE1 4.47Å; P51-F720 HydrophobicContact CG-CG 3.5Å; P51-F720 VanDerWaalsContact CG-CG 3.5Å
52E97.6Very high98Very high6 Ų66.1 Ų6.13%0.0283%0.03CC..THydrogen-bonded Turntrans-96.5-14.9179.964.2-90.5-158.400114.8S50 A54 G55 I56 N102 K110 A147 R155S50-E52 PolarHBondContact O-N 3.44Å; S50-E52 VanDerWaalsContact O-N 3.1Å; E52-A54 PolarHBondContact O-N 3.36Å; E52-G55 PolarHBondContact O-N 3.43Å; E52-G55 VanDerWaalsContact O-N 3.12Å; E52-I56 HydrophobicContact CB-CD1 4.35Å; E52-I56 HydrophobicContact CG-CD1 3.95Å; E52-I56 WeakPolarHBondContact O-CG1 3.33Å; E52-I56 PolarHBondContact O-N 3.12Å; E52-N102 WeakPolarHBondContact CG-ND2 3.49Å; E52-N102 PolarHBondContact OE1-ND2 3.27Å; E52-K110 IonicContact OE1-NZ 3.69Å; E52-A147 HydrophobicContact CB-CB 3.81Å; E52-A147 HydrophobicContact CG-CB 4.04Å; E52-R155 IonicContact OE1-NH1 3.33Å; E52-R155 PolarHBondContact OE1-NH1 3.23Å; E52-R155 IonicContact OE2-NH1 2.74Å; E52-R155 PolarHBondContact OE2-NH1 3.26Å
53S98.3Very high97.9Very high0 Ų06.1 Ų6.10%03%0.03CC..Hα-helixtrans-59.8-46.9-171-770000113.1L46 S50 G55 I56 F57 G101 N102L46-S53 VanDerWaalsContact O-CB 3.3Å; L46-S53 WeakPolarHBondContact O-CB 3.37Å; S50-S53 PolarHBondContact O-N 3.09Å; S50-S53 VanDerWaalsContact O-N 3.16Å; S50-S53 WeakPolarHBondContact OG-CB 3.29Å; S50-S53 PolarHBondContact OG-N 2.85Å; S50-S53 PolarHBondContact OG-OG 3.12Å; S53-G55 VanDerWaalsContact C-N 3.31Å; S53-G55 PolarHBondContact O-N 2.98Å; S53-I56 PolarHBondContact O-N 3.34Å; S53-F57 PolarHBondContact O-N 3.33Å; S53-G101 WeakPolarHBondContact OG-CA 3.45Å; S53-N102 PolarHBondContact OG-N 2.92Å; S53-N102 PolarHBondContact OG-OD1 3.32Å; S53-N102 VanDerWaalsContact OG-OD1 3.09Å
54A98.4Very high97.8Very high1 Ų16.3 Ų6.31%0.0083%0.03CC..Hα-helixtrans-61.5-39.1176.600000112.5L46 I47 E52 F57 L58 L709 W713L46-A54 HydrophobicContact CB-CB 4.11Å; I47-A54 HydrophobicContact CD1-CB 3.65Å; E52-A54 PolarHBondContact O-N 3.36Å; A54-F57 PolarHBondContact O-N 3.1Å; A54-L58 WeakPolarHBondContact O-CB 3.38Å; A54-L58 WeakPolarHBondContact O-CD1 3.29Å; A54-L58 VanDerWaalsContact O-CG 3.25Å; A54-L58 WeakPolarHBondContact O-CG 3.48Å; A54-L58 PolarHBondContact O-N 3.17Å; A54-L709 HydrophobicContact CB-CD1 3.82Å; A54-L709 HydrophobicContact CB-CD2 4.4Å; A54-L709 HydrophobicContact CB-CG 4.16Å; A54-W713 HydrophobicContact CB-CB 3.91Å; A54-W713 HydrophobicContact CB-CD2 4.31Å; A54-W713 HydrophobicContact CB-CG 3.77Å
55G98.3Very high97.6Very high0 Ų011.5 Ų11.50%05%0.054CC..Hα-helixtrans-64.3-41.2176.600000113.2E52 S53 F59 W713E52-G55 PolarHBondContact O-N 3.43Å; E52-G55 VanDerWaalsContact O-N 3.12Å; S53-G55 VanDerWaalsContact C-N 3.31Å; S53-G55 PolarHBondContact O-N 2.98Å; G55-F59 WeakPolarHBondContact O-CB 3.48Å; G55-F59 PolarHBondContact O-N 3.03Å; G55-W713 VanDerWaalsContact CA-CZ2 3.48Å
56I98.5Very high97.4Very high1 Ų115.4 Ų15.41%0.0057%0.074CC..Hα-helixtrans-64.3-45.5175.3-59.5161.3000110.4E52 S53 F59 V60 Y92 V96 N102 I144 M148E52-I56 HydrophobicContact CB-CD1 4.35Å; E52-I56 HydrophobicContact CG-CD1 3.95Å; E52-I56 WeakPolarHBondContact O-CG1 3.33Å; E52-I56 PolarHBondContact O-N 3.12Å; S53-I56 PolarHBondContact O-N 3.34Å; I56-F59 WeakPolarHBondContact O-CB 3.14Å; I56-F59 PolarHBondContact O-N 3.28Å; I56-V60 HydrophobicContact CG2-CG2 4.47Å; I56-V60 WeakPolarHBondContact O-CG2 3.24Å; I56-V60 PolarHBondContact O-N 2.68Å; I56-Y92 HydrophobicContact CG2-CE1 4.46Å; I56-V96 HydrophobicContact CB-CG1 4.32Å; I56-V96 HydrophobicContact CG2-CB 4.4Å; I56-V96 HydrophobicContact CG2-CG1 3.84Å; I56-V96 HydrophobicContact CG2-CG2 4.23Å; I56-N102 HydrophobicContact CD1-CB 4.04Å; I56-I144 HydrophobicContact CG1-CD1 4.16Å; I56-M148 HydrophobicContact CD1-CB 4.27Å; I56-M148 HydrophobicContact CD1-CG 3.86Å; I56-M148 HydrophobicContact CD1-SD 4.4Å; I56-M148 HydrophobicContact CG1-CG 4.33Å; I56-M148 HydrophobicContact CG1-SD 4.31Å
57F98.4Very high97.2Very high1 Ų116.2 Ų16.20%0.0048%0.078CC..Hα-helixtrans-59.5-48.9177.2-179.4-83.4000112.3L43 L46 S53 A54 F59 V60 S61 L97 F692 Y696 L706 L709L43-F57 HydrophobicContact CD2-CD1 4.34Å; L43-F57 HydrophobicContact CD2-CE1 3.69Å; L43-F57 HydrophobicContact CD2-CE2 4.45Å; L43-F57 HydrophobicContact CD2-CZ 3.77Å; L46-F57 HydrophobicContact CD1-CB 3.68Å; L46-F57 HydrophobicContact CD1-CD1 3.77Å; L46-F57 HydrophobicContact CD1-CD2 3.67Å; L46-F57 HydrophobicContact CD1-CE1 4.36Å; L46-F57 HydrophobicContact CD1-CE2 4.27Å; L46-F57 HydrophobicContact CD1-CG 3.41Å; L46-F57 VanDerWaalsContact CD1-CG 3.41Å; L46-F57 HydrophobicContact CD2-CB 3.67Å; L46-F57 HydrophobicContact CD2-CD2 4.04Å; L46-F57 HydrophobicContact CD2-CG 4.08Å; L46-F57 HydrophobicContact CG-CB 4.33Å; L46-F57 HydrophobicContact CG-CD2 4.46Å; L46-F57 HydrophobicContact CG-CG 4.41Å; S53-F57 PolarHBondContact O-N 3.33Å; A54-F57 PolarHBondContact O-N 3.1Å; F57-F59 VanDerWaalsContact C-N 3.29Å; F57-F59 PolarHBondContact O-N 3.06Å; F57-V60 PolarHBondContact O-N 3.41Å; F57-S61 WeakPolarHBondContact O-CB 3.16Å; F57-S61 PolarHBondContact O-N 3.3Å; F57-L97 HydrophobicContact CD2-CD2 3.45Å; F57-L97 VanDerWaalsContact CD2-CD2 3.45Å; F57-L97 HydrophobicContact CE2-CD2 3.51Å; F57-L97 HydrophobicContact CG-CD2 4.42Å; F57-L97 HydrophobicContact CZ-CD2 4.5Å; F57-F692 AromaticContact CE2-CD1 3.95Å; F57-F692 HydrophobicContact CE2-CD1 3.95Å; F57-F692 HydrophobicContact CE2-CE1 4.39Å; F57-F692 HydrophobicContact CZ-CD1 4.42Å; F57-Y696 HydrophobicContact CE1-CE2 4.31Å; F57-Y696 HydrophobicContact CE2-CE2 4.45Å; F57-Y696 HydrophobicContact CZ-CD2 4.11Å; F57-Y696 AromaticContact CZ-CE2 3.52Å; F57-Y696 HydrophobicContact CZ-CE2 3.52Å; F57-L706 HydrophobicContact CD1-CD2 4.5Å; F57-L706 HydrophobicContact CE1-CD2 3.67Å; F57-L709 HydrophobicContact CD1-CD2 3.86Å; F57-L709 HydrophobicContact CE1-CD2 4.39Å
58L98.2Very high96.9Very high1 Ų119.3 Ų19.31%0.00510%0.095CC..Hα-helixtrans-60.1-39.5177.4-73.4165.1000111.6A54 R62 L140 L706 L709 E710 W713A54-L58 WeakPolarHBondContact O-CB 3.38Å; A54-L58 WeakPolarHBondContact O-CD1 3.29Å; A54-L58 VanDerWaalsContact O-CG 3.25Å; A54-L58 WeakPolarHBondContact O-CG 3.48Å; A54-L58 PolarHBondContact O-N 3.17Å; L58-R62 WeakPolarHBondContact O-CB 3.41Å; L58-R62 VanDerWaalsContact O-CG 3.24Å; L58-R62 WeakPolarHBondContact O-CG 3.18Å; L58-R62 PolarHBondContact O-N 3.49Å; L58-L140 HydrophobicContact CB-CD2 4.43Å; L58-L706 HydrophobicContact CD2-CB 4.36Å; L58-L709 HydrophobicContact CD1-CD2 4.37Å; L58-L709 HydrophobicContact CD1-CG 4.37Å; L58-L709 HydrophobicContact CD2-CD2 4.03Å; L58-L709 HydrophobicContact CG-CD2 3.93Å; L58-L709 HydrophobicContact CG-CG 4.44Å; L58-E710 HydrophobicContact CD1-CB 3.67Å; L58-E710 HydrophobicContact CD1-CG 4.04Å; L58-E710 HydrophobicContact CD2-CB 4.41Å; L58-W713 HydrophobicContact CD1-CE3 3.77Å; L58-W713 HydrophobicContact CD1-CZ3 4.23Å
59F98.3Very high96.7Very high1 Ų119.1 Ų19.10%0.0049%0.094CC..Hα-helixtrans-61.7-51.7175.6176.8-95.6000111.7G55 I56 F57 S61 R62 F63 F93 L124 F130 L137 L140 W141 I144G55-F59 WeakPolarHBondContact O-CB 3.48Å; G55-F59 PolarHBondContact O-N 3.03Å; I56-F59 WeakPolarHBondContact O-CB 3.14Å; I56-F59 PolarHBondContact O-N 3.28Å; F57-F59 VanDerWaalsContact C-N 3.29Å; F57-F59 PolarHBondContact O-N 3.06Å; F59-S61 PolarHBondContact O-N 2.96Å; F59-R62 PolarHBondContact O-N 3.4Å; F59-F63 HydrophobicContact CZ-CD2 4.17Å; F59-F63 VanDerWaalsContact O-CB 3.27Å; F59-F63 WeakPolarHBondContact O-CB 3.13Å; F59-F63 PolarHBondContact O-N 3.32Å; F59-F93 HydrophobicContact CE1-CZ 4.35Å; F59-L124 HydrophobicContact CE1-CD1 3.96Å; F59-L124 HydrophobicContact CE1-CD2 3.89Å; F59-L124 HydrophobicContact CZ-CD1 3.59Å; F59-L124 HydrophobicContact CZ-CD2 3.78Å; F59-L124 HydrophobicContact CZ-CG 4.23Å; F59-F130 HydrophobicContact CE2-CD2 4.35Å; F59-F130 HydrophobicContact CE2-CE2 4.01Å; F59-F130 HydrophobicContact CZ-CD2 4.39Å; F59-F130 HydrophobicContact CZ-CE2 4.07Å; F59-L137 HydrophobicContact CD2-CD2 4.05Å; F59-L137 HydrophobicContact CE2-CB 4.25Å; F59-L137 HydrophobicContact CE2-CD2 4.02Å; F59-L140 HydrophobicContact CB-CD2 3.8Å; F59-L140 HydrophobicContact CB-CG 4.19Å; F59-L140 HydrophobicContact CD2-CD2 4.3Å; F59-L140 HydrophobicContact CD2-CG 4.35Å; F59-W141 HydrophobicContact CD1-CE3 4.01Å; F59-W141 HydrophobicContact CD1-CZ3 4.29Å; F59-W141 HydrophobicContact CD2-CB 4.27Å; F59-W141 HydrophobicContact CD2-CE3 4.45Å; F59-W141 AromaticContact CE1-CE3 3.68Å; F59-W141 HydrophobicContact CE1-CE3 3.68Å; F59-W141 AromaticContact CE1-CZ3 3.97Å; F59-W141 HydrophobicContact CE1-CZ3 3.97Å; F59-W141 HydrophobicContact CE2-CB 3.81Å; F59-W141 HydrophobicContact CE2-CE3 4.16Å; F59-W141 HydrophobicContact CE2-CG 4.49Å; F59-W141 HydrophobicContact CG-CE3 4.39Å; F59-W141 HydrophobicContact CZ-CB 4.36Å; F59-W141 HydrophobicContact CZ-CD2 4.31Å; F59-W141 AromaticContact CZ-CE3 3.78Å; F59-W141 HydrophobicContact CZ-CE3 3.78Å; F59-W141 HydrophobicContact CZ-CZ3 4.46Å; F59-I144 HydrophobicContact CB-CD1 3.64Å; F59-I144 HydrophobicContact CG-CD1 3.98Å
60V97.8Very high96.4Very high1 Ų123 Ų231%0.00612%0.115CC..Hα-helixtrans-60.9-45.9179.8174.20000110.7I56 F57 F63 F64 F93 L97 I689I56-V60 HydrophobicContact CG2-CG2 4.47Å; I56-V60 WeakPolarHBondContact O-CG2 3.24Å; I56-V60 PolarHBondContact O-N 2.68Å; F57-V60 PolarHBondContact O-N 3.41Å; V60-F63 PolarHBondContact O-N 3.07Å; V60-F64 HydrophobicContact CG1-CD2 3.8Å; V60-F64 HydrophobicContact CG1-CE2 4.13Å; V60-F64 WeakPolarHBondContact O-CD2 3.49Å; V60-F64 PolarHBondContact O-N 3.47Å; V60-F93 HydrophobicContact CG1-CB 4.23Å; V60-F93 HydrophobicContact CG2-CB 3.97Å; V60-F93 HydrophobicContact CG2-CD1 3.44Å; V60-F93 VanDerWaalsContact CG2-CD1 3.44Å; V60-F93 HydrophobicContact CG2-CD2 4.48Å; V60-F93 HydrophobicContact CG2-CE1 4.02Å; V60-F93 HydrophobicContact CG2-CG 3.73Å; V60-L97 HydrophobicContact CG1-CD1 4.01Å; V60-L97 HydrophobicContact CG1-CD2 4.25Å; V60-L97 HydrophobicContact CG1-CG 4.34Å; V60-I689 HydrophobicContact CG1-CG2 4.35Å
61S96.3Very high96.2Very high11 Ų1125.5 Ų25.58%0.07713%0.132CC..Hα-helixtrans-59.4-49.8178.3177.10000111.8F57 F59 H65F57-S61 WeakPolarHBondContact O-CB 3.16Å; F57-S61 PolarHBondContact O-N 3.3Å; F59-S61 PolarHBondContact O-N 2.96Å; S61-H65 WeakPolarHBondContact O-CB 3.2Å; S61-H65 PolarHBondContact O-N 3.37Å
62R96.3Very high96.1Very high71 Ų7124.9 Ų24.927%0.26813%0.128SC..Hα-helixtrans-64.8-44.9179.1-72.5173.8-178.4170.62.5112.5L58 F59 H65 L66 L137 E710L58-R62 WeakPolarHBondContact O-CB 3.41Å; L58-R62 VanDerWaalsContact O-CG 3.24Å; L58-R62 WeakPolarHBondContact O-CG 3.18Å; L58-R62 PolarHBondContact O-N 3.49Å; F59-R62 PolarHBondContact O-N 3.4Å; R62-H65 PolarHBondContact O-N 3.4Å; R62-L66 WeakPolarHBondContact O-CG 3.32Å; R62-L66 PolarHBondContact O-N 3.44Å; R62-L137 HydrophobicContact CB-CD2 3.73Å; R62-E710 IonicContact CZ-OE1 3.24Å; R62-E710 IonicContact CZ-OE2 2.95Å; R62-E710 IonicContact NH1-OE1 2.74Å; R62-E710 PolarHBondContact NH1-OE1 2.74Å; R62-E710 IonicContact NH1-OE2 2.75Å; R62-E710 IonicContact NH2-OE1 2.82Å; R62-E710 PolarHBondContact NH2-OE1 3.37Å; R62-E710 IonicContact NH2-OE2 3.34Å; R62-E710 PolarHBondContact NH2-OE2 3Å
63F97.3Very high96Very high1 Ų126.2 Ų26.20%0.00414%0.136CC..Hα-helixtrans-61.5-51-177.5-172.9-85.8000110.9F59 V60 L66 E67 F72 L124 F130 L137F59-F63 HydrophobicContact CZ-CD2 4.17Å; F59-F63 VanDerWaalsContact O-CB 3.27Å; F59-F63 WeakPolarHBondContact O-CB 3.13Å; F59-F63 PolarHBondContact O-N 3.32Å; V60-F63 PolarHBondContact O-N 3.07Å; F63-L66 PolarHBondContact O-N 2.84Å; F63-E67 HydrophobicContact CE1-CB 4.29Å; F63-E67 HydrophobicContact CE1-CG 4.45Å; F63-E67 PolarHBondContact O-N 3.36Å; F63-F72 HydrophobicContact CE1-CD1 4.01Å; F63-F72 HydrophobicContact CE1-CD2 4.37Å; F63-F72 AromaticContact CE1-CE1 3.74Å; F63-F72 HydrophobicContact CE1-CE1 3.74Å; F63-F72 HydrophobicContact CE1-CE2 4.17Å; F63-F72 HydrophobicContact CE1-CG 4.31Å; F63-F72 AromaticContact CE1-CZ 3.85Å; F63-F72 HydrophobicContact CE1-CZ 3.85Å; F63-F72 HydrophobicContact CZ-CD1 4.46Å; F63-F72 HydrophobicContact CZ-CD2 4.43Å; F63-F72 AromaticContact CZ-CE1 3.81Å; F63-F72 HydrophobicContact CZ-CE1 3.81Å; F63-F72 AromaticContact CZ-CE2 3.8Å; F63-F72 HydrophobicContact CZ-CE2 3.8Å; F63-F72 AromaticContact CZ-CZ 3.46Å; F63-F72 HydrophobicContact CZ-CZ 3.46Å; F63-F72 VanDerWaalsContact CZ-CZ 3.46Å; F63-L124 HydrophobicContact CD2-CD2 4.02Å; F63-L124 HydrophobicContact CE1-CD2 4.28Å; F63-L124 HydrophobicContact CE2-CB 4.25Å; F63-L124 HydrophobicContact CE2-CD2 3.73Å; F63-L124 HydrophobicContact CG-CD2 4.42Å; F63-L124 HydrophobicContact CZ-CD2 3.88Å; F63-F130 HydrophobicContact CE2-CB 4.27Å; F63-F130 HydrophobicContact CE2-CD2 4.4Å; F63-L137 HydrophobicContact CB-CD2 4.11Å; F63-L137 HydrophobicContact CD2-CD1 3.97Å
64F96.4Very high95.8Very high4 Ų431.8 Ų31.82%0.01816%0.162CC..Hα-helixtrans-84.8-7.4-176.4-67.1-65.1000114.5V60 E67 V69 F72 L90 F93 I689 V693V60-F64 HydrophobicContact CG1-CD2 3.8Å; V60-F64 HydrophobicContact CG1-CE2 4.13Å; V60-F64 WeakPolarHBondContact O-CD2 3.49Å; V60-F64 PolarHBondContact O-N 3.47Å; F64-E67 CarbonylContact C-O 3.49Å; F64-E67 VanDerWaalsContact CA-O 3.31Å; F64-E67 WeakPolarHBondContact CA-O 3.45Å; F64-E67 VanDerWaalsContact O-O 3.07Å; F64-V69 HydrophobicContact CB-CG2 4.03Å; F64-V69 HydrophobicContact CD1-CB 4.15Å; F64-V69 HydrophobicContact CD1-CG1 4.17Å; F64-V69 HydrophobicContact CD1-CG2 3.64Å; F64-V69 HydrophobicContact CE1-CB 4.4Å; F64-V69 HydrophobicContact CE1-CG1 3.95Å; F64-V69 HydrophobicContact CE1-CG2 4.27Å; F64-V69 HydrophobicContact CG-CG2 3.92Å; F64-F72 HydrophobicContact CE1-CD1 4.25Å; F64-L90 HydrophobicContact CE1-CD2 4.47Å; F64-L90 HydrophobicContact CZ-CD2 3.84Å; F64-F93 AromaticContact CE2-CD2 3.88Å; F64-F93 HydrophobicContact CE2-CD2 3.88Å; F64-F93 HydrophobicContact CE2-CE2 4.33Å; F64-F93 HydrophobicContact CZ-CD2 4.25Å; F64-I689 HydrophobicContact CB-CG2 3.94Å; F64-I689 HydrophobicContact CD1-CG2 4.46Å; F64-I689 HydrophobicContact CD2-CG2 3.43Å; F64-I689 VanDerWaalsContact CD2-CG2 3.43Å; F64-I689 HydrophobicContact CE2-CD1 4.19Å; F64-I689 HydrophobicContact CE2-CG2 3.99Å; F64-I689 HydrophobicContact CG-CG2 3.7Å; F64-I689 HydrophobicContact CZ-CD1 4.46Å; F64-V693 HydrophobicContact CB-CG2 3.75Å
65H94Very high95.8Very high108 Ų10834.9 Ų34.950%0.518%0.175SC..Hα-helixtrans-70.9-35.3162-175.682000111.4S61 R62 V693 S697S61-H65 WeakPolarHBondContact O-CB 3.2Å; S61-H65 PolarHBondContact O-N 3.37Å; R62-H65 PolarHBondContact O-N 3.4Å; H65-V693 HydrophobicContact CB-CG1 4.1Å; H65-S697 PolarHBondContact ND1-OG 2.91Å
66L94Very high95.7Very high85 Ų8534.9 Ų34.945%0.44518%0.175SC..Hα-helixtrans-85.7-30.9178.5-64.1173.8000113.1R62 F63 E129 A135 L137R62-L66 WeakPolarHBondContact O-CG 3.32Å; R62-L66 PolarHBondContact O-N 3.44Å; F63-L66 PolarHBondContact O-N 2.84Å; L66-E129 HydrophobicContact CB-CB 4.42Å; L66-E129 HydrophobicContact CB-CG 4.16Å; L66-E129 HydrophobicContact CD1-CB 3.92Å; L66-E129 HydrophobicContact CD1-CG 4.14Å; L66-A135 HydrophobicContact CD1-CB 4.17Å; L66-L137 HydrophobicContact CD1-CD1 4.1Å
67E93.4Very high95.6Very high18 Ų1838 Ų388%0.08420%0.195CC..SBendtrans-120.3115.3179.6-68.6-84.3-178.800110.4F63 F64 V69 F72 K75 S127F63-E67 HydrophobicContact CE1-CB 4.29Å; F63-E67 HydrophobicContact CE1-CG 4.45Å; F63-E67 PolarHBondContact O-N 3.36Å; F64-E67 CarbonylContact C-O 3.49Å; F64-E67 VanDerWaalsContact CA-O 3.31Å; F64-E67 WeakPolarHBondContact CA-O 3.45Å; F64-E67 VanDerWaalsContact O-O 3.07Å; E67-V69 PolarHBondContact O-N 2.9Å; E67-F72 HydrophobicContact CB-CB 4.41Å; E67-F72 HydrophobicContact CB-CD2 4.14Å; E67-F72 HydrophobicContact CB-CG 4.43Å; E67-F72 HydrophobicContact CG-CD2 4.14Å; E67-K75 IonicContact OE1-NZ 3.48Å; E67-K75 PolarHBondContact OE1-NZ 3.33Å; E67-K75 VanDerWaalsContact OE1-NZ 3.11Å; E67-K75 IonicContact OE2-NZ 3.91Å; E67-K75 PolarHBondContact OE2-NZ 2.86Å; E67-S127 WeakPolarHBondContact CG-OG 3.34Å; E67-S127 WeakPolarHBondContact OE1-CA 3.47Å; E67-S127 WeakPolarHBondContact OE1-CB 3.39Å; E67-S127 PolarHBondContact OE1-OG 3.04Å
68N92Very high95.5Very high75 Ų7545.6 Ų45.640%0.40123%0.228SC..  trans-60.2127.1173.4173.4-86000110.2N70 S71 F72 Q690N68-N70 VanDerWaalsContact C-N 3.33Å; N68-N70 PolarHBondContact O-N 3.48Å; N68-N70 PolarHBondContact OD1-N 3.38Å; N68-N70 VanDerWaalsContact OD1-N 3.15Å; N68-S71 PolarHBondContact O-N 3.44Å; N68-S71 VanDerWaalsContact O-N 3.17Å; N68-S71 PolarHBondContact O-OG 3.35Å; N68-S71 PolarHBondContact OD1-N 3Å; N68-F72 WeakPolarHBondContact O-CB 3.48Å; N68-F72 PolarHBondContact O-N 3.4Å; N68-Q690 PolarHBondContact ND2-OE1 2.85Å
69V93.9Very high95.5Very high1 Ų149 Ų491%0.00625%0.246CC..Hα-helixtrans-56.4-44.2-169.7-165.60000112.4F64 E67 F72 V73 L90 P686 I689F64-V69 HydrophobicContact CB-CG2 4.03Å; F64-V69 HydrophobicContact CD1-CB 4.15Å; F64-V69 HydrophobicContact CD1-CG1 4.17Å; F64-V69 HydrophobicContact CD1-CG2 3.64Å; F64-V69 HydrophobicContact CE1-CB 4.4Å; F64-V69 HydrophobicContact CE1-CG1 3.95Å; F64-V69 HydrophobicContact CE1-CG2 4.27Å; F64-V69 HydrophobicContact CG-CG2 3.92Å; E67-V69 PolarHBondContact O-N 2.9Å; V69-F72 PolarHBondContact O-N 2.97Å; V69-V73 WeakPolarHBondContact O-CG2 3.5Å; V69-V73 PolarHBondContact O-N 3.33Å; V69-L90 HydrophobicContact CG1-CD1 4.46Å; V69-L90 HydrophobicContact CG1-CD2 4.37Å; V69-P686 HydrophobicContact CB-CB 4.25Å; V69-P686 HydrophobicContact CG1-CB 3.78Å; V69-P686 HydrophobicContact CG1-CG 4.27Å; V69-I689 HydrophobicContact CG1-CD1 4.4Å; V69-I689 HydrophobicContact CG2-CB 4.13Å; V69-I689 HydrophobicContact CG2-CG2 3.61Å
70N92.4Very high95.4Very high83 Ų8355.7 Ų55.744%0.44428%0.282SS..Hα-helixtrans-68-45-178.1-65.5-38000111.4N68 F72 V73 E74 P686N68-N70 VanDerWaalsContact C-N 3.33Å; N68-N70 PolarHBondContact O-N 3.48Å; N68-N70 PolarHBondContact OD1-N 3.38Å; N68-N70 VanDerWaalsContact OD1-N 3.15Å; N70-F72 PolarHBondContact O-N 3.3Å; N70-V73 WeakPolarHBondContact O-CB 3.25Å; N70-V73 PolarHBondContact O-N 3.49Å; N70-E74 PolarHBondContact O-N 2.97Å; N70-E74 VanDerWaalsContact O-N 3.08Å; N70-P686 WeakPolarHBondContact OD1-CB 3.42Å
71S92.9Very high95.3Very high54 Ų5455.9 Ų55.938%0.37828%0.283SS..Hα-helixtrans-62.8-33.217675.10000112.3N68 E74 K75N68-S71 PolarHBondContact O-N 3.44Å; N68-S71 VanDerWaalsContact O-N 3.17Å; N68-S71 PolarHBondContact O-OG 3.35Å; N68-S71 PolarHBondContact OD1-N 3Å; S71-E74 PolarHBondContact O-N 2.91Å; S71-K75 WeakPolarHBondContact O-CB 3.32Å; S71-K75 PolarHBondContact O-N 3.3Å
72F95.6Very high95.4Very high0 Ų057.9 Ų57.90%030%0.297CS..Hα-helixtrans-72.6-37.3177.4-166.4-105.2000112.2F63 F64 E67 N68 V69 N70 K75 A76 F123 L126F63-F72 HydrophobicContact CE1-CD1 4.01Å; F63-F72 HydrophobicContact CE1-CD2 4.37Å; F63-F72 AromaticContact CE1-CE1 3.74Å; F63-F72 HydrophobicContact CE1-CE1 3.74Å; F63-F72 HydrophobicContact CE1-CE2 4.17Å; F63-F72 HydrophobicContact CE1-CG 4.31Å; F63-F72 AromaticContact CE1-CZ 3.85Å; F63-F72 HydrophobicContact CE1-CZ 3.85Å; F63-F72 HydrophobicContact CZ-CD1 4.46Å; F63-F72 HydrophobicContact CZ-CD2 4.43Å; F63-F72 AromaticContact CZ-CE1 3.81Å; F63-F72 HydrophobicContact CZ-CE1 3.81Å; F63-F72 AromaticContact CZ-CE2 3.8Å; F63-F72 HydrophobicContact CZ-CE2 3.8Å; F63-F72 AromaticContact CZ-CZ 3.46Å; F63-F72 HydrophobicContact CZ-CZ 3.46Å; F63-F72 VanDerWaalsContact CZ-CZ 3.46Å; F64-F72 HydrophobicContact CE1-CD1 4.25Å; E67-F72 HydrophobicContact CB-CB 4.41Å; E67-F72 HydrophobicContact CB-CD2 4.14Å; E67-F72 HydrophobicContact CB-CG 4.43Å; E67-F72 HydrophobicContact CG-CD2 4.14Å; N68-F72 WeakPolarHBondContact O-CB 3.48Å; N68-F72 PolarHBondContact O-N 3.4Å; V69-F72 PolarHBondContact O-N 2.97Å; N70-F72 PolarHBondContact O-N 3.3Å; F72-K75 HydrophobicContact CD2-CD 4.16Å; F72-K75 HydrophobicContact CE2-CD 4.18Å; F72-K75 WeakPolarHBondContact O-CB 3.31Å; F72-K75 PolarHBondContact O-N 3.33Å; F72-A76 WeakPolarHBondContact O-CB 3.39Å; F72-A76 PolarHBondContact O-N 2.66Å; F72-F123 HydrophobicContact CD1-CE1 4.08Å; F72-F123 HydrophobicContact CD1-CE2 4.46Å; F72-F123 AromaticContact CD1-CZ 3.8Å; F72-F123 HydrophobicContact CD1-CZ 3.8Å; F72-F123 AromaticContact CE1-CD1 3.91Å; F72-F123 HydrophobicContact CE1-CD1 3.91Å; F72-F123 HydrophobicContact CE1-CD2 4.46Å; F72-F123 AromaticContact CE1-CE1 3.42Å; F72-F123 HydrophobicContact CE1-CE1 3.42Å; F72-F123 VanDerWaalsContact CE1-CE1 3.42Å; F72-F123 HydrophobicContact CE1-CE2 4.01Å; F72-F123 HydrophobicContact CE1-CG 4.41Å; F72-F123 AromaticContact CE1-CZ 3.46Å; F72-F123 HydrophobicContact CE1-CZ 3.46Å; F72-F123 VanDerWaalsContact CE1-CZ 3.46Å; F72-F123 HydrophobicContact CZ-CE1 4.47Å; F72-F123 VanDerWaalsContact CZ-O 3.31Å; F72-F123 WeakPolarHBondContact CZ-O 3.44Å; F72-L126 HydrophobicContact CE2-CB 4.08Å; F72-L126 HydrophobicContact CZ-CB 4.09Å
73V95.2Very high95.4Very high34 Ų3460.1 Ų60.121%0.20631%0.314CS..Hα-helixtrans-58.7-49.4170.61670000110.7V69 N70 K75 A76 T77 I86 L90V69-V73 WeakPolarHBondContact O-CG2 3.5Å; V69-V73 PolarHBondContact O-N 3.33Å; N70-V73 WeakPolarHBondContact O-CB 3.25Å; N70-V73 PolarHBondContact O-N 3.49Å; V73-K75 VanDerWaalsContact C-N 3.26Å; V73-K75 PolarHBondContact O-N 2.71Å; V73-A76 WeakPolarHBondContact O-CB 3.33Å; V73-A76 PolarHBondContact O-N 3.4Å; V73-A76 VanDerWaalsContact O-N 3.08Å; V73-T77 PolarHBondContact O-N 2.96Å; V73-T77 PolarHBondContact O-OG1 3.22Å; V73-T77 VanDerWaalsContact O-OG1 3.14Å; V73-I86 HydrophobicContact CG1-CG2 4.15Å; V73-I86 HydrophobicContact CG2-CG2 3.98Å; V73-L90 HydrophobicContact CG2-CD1 3.48Å; V73-L90 VanDerWaalsContact CG2-CD1 3.48Å
74E95.3Very high95.3Very high117 Ų11766.5 Ų66.555%0.54734%0.344SS..Hα-helixtrans-59.4-39176.7-68.3179.8-165.300112.4N70 S71 K78N70-E74 PolarHBondContact O-N 2.97Å; N70-E74 VanDerWaalsContact O-N 3.08Å; S71-E74 PolarHBondContact O-N 2.91Å; E74-K78 VanDerWaalsContact O-CG 3.32Å; E74-K78 WeakPolarHBondContact O-CG 3.34Å; E74-K78 PolarHBondContact O-N 2.85Å; E74-K78 VanDerWaalsContact O-N 3.17Å
75K96.6Very high95.4Very high65 Ų6568.2 Ų68.228%0.28335%0.352SS..Hα-helixtrans-62.6-43.7174.8-173.7-172.3-67.5171.80110.8E67 S71 F72 V73 K78 N79 L126E67-K75 IonicContact OE1-NZ 3.48Å; E67-K75 PolarHBondContact OE1-NZ 3.33Å; E67-K75 VanDerWaalsContact OE1-NZ 3.11Å; E67-K75 IonicContact OE2-NZ 3.91Å; E67-K75 PolarHBondContact OE2-NZ 2.86Å; S71-K75 WeakPolarHBondContact O-CB 3.32Å; S71-K75 PolarHBondContact O-N 3.3Å; F72-K75 HydrophobicContact CD2-CD 4.16Å; F72-K75 HydrophobicContact CE2-CD 4.18Å; F72-K75 WeakPolarHBondContact O-CB 3.31Å; F72-K75 PolarHBondContact O-N 3.33Å; V73-K75 VanDerWaalsContact C-N 3.26Å; V73-K75 PolarHBondContact O-N 2.71Å; K75-K78 PolarHBondContact O-N 3.06Å; K75-N79 PolarHBondContact O-N 3.24Å; K75-N79 PolarHBondContact O-ND2 3.33Å; K75-L126 HydrophobicContact CD-CB 4.23Å
76A97.1Very high95.5Very high0 Ų063.5 Ų63.50%033%0.33CS..Hα-helixtrans-65.3-45.2178.400000112.7F72 V73 K78 N79 F81 I86 F123 L126F72-A76 WeakPolarHBondContact O-CB 3.39Å; F72-A76 PolarHBondContact O-N 2.66Å; V73-A76 WeakPolarHBondContact O-CB 3.33Å; V73-A76 PolarHBondContact O-N 3.4Å; V73-A76 VanDerWaalsContact O-N 3.08Å; A76-K78 VanDerWaalsContact C-N 3.26Å; A76-K78 PolarHBondContact O-N 3.39Å; A76-N79 CarbonylContact O-C 3.5Å; A76-N79 WeakPolarHBondContact O-CA 3.18Å; A76-N79 PolarHBondContact O-N 3.18Å; A76-F81 HydrophobicContact CB-CB 4.19Å; A76-F81 HydrophobicContact CB-CD2 4.24Å; A76-F81 HydrophobicContact CB-CG 4.36Å; A76-F81 PolarHBondContact O-N 3.22Å; A76-I86 HydrophobicContact CB-CD1 3.95Å; A76-I86 HydrophobicContact CB-CG1 4.2Å; A76-F123 HydrophobicContact CB-CD2 3.82Å; A76-F123 HydrophobicContact CB-CE2 3.39Å; A76-F123 HydrophobicContact CB-CZ 4.44Å; A76-L126 HydrophobicContact CB-CD1 3.99Å
77T96.6Very high95.7Very high68 Ų6862.1 Ų62.142%0.41733%0.325SS..Hα-helixtrans-57.8-40.4175.6-53.80000111.4V73 N79 N80 I86V73-T77 PolarHBondContact O-N 2.96Å; V73-T77 PolarHBondContact O-OG1 3.22Å; V73-T77 VanDerWaalsContact O-OG1 3.14Å; T77-N79 PolarHBondContact O-N 3.36Å; T77-N80 PolarHBondContact O-N 3.15Å; T77-I86 WeakPolarHBondContact OG1-CD1 3.4Å
78K96.8Very high95.8Very high159 Ų15963 Ų6369%0.69133%0.329SS*.Hα-helixtrans-68-17.8175.4-71.6169.2-174.7163.40113.9E74 K75 A76E74-K78 VanDerWaalsContact O-CG 3.32Å; E74-K78 WeakPolarHBondContact O-CG 3.34Å; E74-K78 PolarHBondContact O-N 2.85Å; E74-K78 VanDerWaalsContact O-N 3.17Å; K75-K78 PolarHBondContact O-N 3.06Å; A76-K78 VanDerWaalsContact C-N 3.26Å; A76-K78 PolarHBondContact O-N 3.39Å
79N96.8Very high96.1Very high72 Ų7259.5 Ų59.539%0.38531%0.311SS..THydrogen-bonded Turntrans-108.634.1-179.8-73.9-83.9000112.4K75 A76 T77 F81 L126K75-N79 PolarHBondContact O-N 3.24Å; K75-N79 PolarHBondContact O-ND2 3.33Å; A76-N79 CarbonylContact O-C 3.5Å; A76-N79 WeakPolarHBondContact O-CA 3.18Å; A76-N79 PolarHBondContact O-N 3.18Å; T77-N79 PolarHBondContact O-N 3.36Å; N79-F81 VanDerWaalsContact C-N 3.34Å; N79-F81 PolarHBondContact O-N 3.27Å; N79-L126 HydrophobicContact CB-CD1 3.89Å; N79-L126 HydrophobicContact CB-CD2 3.63Å; N79-L126 HydrophobicContact CB-CG 4.44Å
80N95.8Very high96.3Very high142 Ų14259.7 Ų59.776%0.75931%0.312SS*.THydrogen-bonded Turntrans63.629.6172.8-50.7-53.1000115.2T77 R119T77-N80 PolarHBondContact O-N 3.15Å; N80-R119 PolarHBondContact O-NH2 2.7Å
81F97.5Very high96.5Very high6 Ų655.8 Ų55.83%0.02629%0.291CS..  trans-87.9129.8162.5-72.7-91.9000109.5A76 N79 E85 I86 R119 E122 F123 L126A76-F81 HydrophobicContact CB-CB 4.19Å; A76-F81 HydrophobicContact CB-CD2 4.24Å; A76-F81 HydrophobicContact CB-CG 4.36Å; A76-F81 PolarHBondContact O-N 3.22Å; N79-F81 VanDerWaalsContact C-N 3.34Å; N79-F81 PolarHBondContact O-N 3.27Å; F81-E85 WeakPolarHBondContact CA-OE2 3.47Å; F81-E85 HydrophobicContact CD1-CB 4.4Å; F81-I86 HydrophobicContact CB-CD1 4.08Å; F81-I86 HydrophobicContact CB-CG1 3.84Å; F81-R119 HydrophobicContact CE1-CG 4.17Å; F81-R119 VanDerWaalsContact CE1-NE 3.33Å; F81-E122 HydrophobicContact CZ-CB 4.2Å; F81-E122 HydrophobicContact CZ-CG 4.06Å; F81-F123 HydrophobicContact CD1-CB 4.24Å; F81-F123 AromaticContact CD1-CD2 3.89Å; F81-F123 HydrophobicContact CD1-CD2 3.89Å; F81-F123 HydrophobicContact CD2-CD2 4.32Å; F81-F123 HydrophobicContact CE1-CB 3.53Å; F81-F123 HydrophobicContact CE1-CD2 4.04Å; F81-F123 HydrophobicContact CE1-CG 4.28Å; F81-F123 HydrophobicContact CE2-CB 4.36Å; F81-F123 HydrophobicContact CE2-CD2 4.46Å; F81-F123 HydrophobicContact CG-CD2 4.04Å; F81-F123 HydrophobicContact CZ-CB 3.61Å; F81-F123 HydrophobicContact CZ-CD2 4.34Å; F81-F123 HydrophobicContact CZ-CG 4.5Å; F81-F123 VanDerWaalsContact CZ-N 3.31Å; F81-L126 HydrophobicContact CD2-CD1 3.93Å; F81-L126 HydrophobicContact CE2-CD1 3.73Å; F81-L126 HydrophobicContact CE2-CG 4.28Å
82S97.1Very high96.8Very high53 Ų5353.2 Ų53.237%0.37127%0.273SS..  trans-72.4157.3175.379.20000111.1E84 E85 I86S82-E84 PolarHBondContact O-N 2.93Å; S82-E84 PolarHBondContact OG-N 3.3Å; S82-E85 PolarHBondContact N-OE2 2.61Å; S82-E85 PolarHBondContact O-N 3.23Å; S82-E85 VanDerWaalsContact O-N 3.12Å; S82-E85 WeakPolarHBondContact OG-CG 3.48Å; S82-E85 PolarHBondContact OG-N 3.23Å; S82-E85 VanDerWaalsContact OG-N 3.08Å; S82-I86 WeakPolarHBondContact O-CG1 3.49Å; S82-I86 PolarHBondContact O-N 2.77Å
83D96Very high96.9Very high118 Ų11853.3 Ų53.363%0.63127%0.273SS*.Hα-helixtrans-58.8-32.7175.6-66.2-20.6000111.8T87D83-T87 WeakPolarHBondContact O-CB 3.45Å; D83-T87 PolarHBondContact O-N 3.42Å; D83-T87 PolarHBondContact O-OG1 3.33Å
84E96.4Very high97Very high135 Ų13551.7 Ų51.763%0.63126%0.263SS*.Hα-helixtrans-66.6-46.2174.7-178.3177.1-171.100111.7S82 T87 H88S82-E84 PolarHBondContact O-N 2.93Å; S82-E84 PolarHBondContact OG-N 3.3Å; E84-T87 PolarHBondContact O-N 3.16Å; E84-H88 PolarHBondContact O-CD2 3.26Å; E84-H88 VanDerWaalsContact O-CD2 3.22Å; E84-H88 PolarHBondContact O-N 3.49Å
85E97Very high97.1Very high40 Ų4046.2 Ų46.219%0.18724%0.238CC..Hα-helixtrans-60.2-48.2176.1-72.1179.7120.100111.3F81 S82 T87 H88 I89 I115 R119F81-E85 WeakPolarHBondContact CA-OE2 3.47Å; F81-E85 HydrophobicContact CD1-CB 4.4Å; S82-E85 PolarHBondContact N-OE2 2.61Å; S82-E85 PolarHBondContact O-N 3.23Å; S82-E85 VanDerWaalsContact O-N 3.12Å; S82-E85 WeakPolarHBondContact OG-CG 3.48Å; S82-E85 PolarHBondContact OG-N 3.23Å; S82-E85 VanDerWaalsContact OG-N 3.08Å; E85-T87 VanDerWaalsContact C-N 3.29Å; E85-T87 PolarHBondContact O-N 3.08Å; E85-H88 PolarHBondContact O-N 2.91Å; E85-I89 VanDerWaalsContact O-CG1 3.3Å; E85-I89 WeakPolarHBondContact O-CG1 3.47Å; E85-I89 PolarHBondContact O-N 3.17Å; E85-I115 HydrophobicContact CB-CD1 4.42Å; E85-I115 HydrophobicContact CG-CD1 4.15Å; E85-R119 IonicContact OE1-CZ 3.58Å; E85-R119 IonicContact OE1-NE 2.64Å; E85-R119 PolarHBondContact OE1-NE 3.1Å; E85-R119 IonicContact OE1-NH2 3.82Å; E85-R119 PolarHBondContact OE1-NH2 3.4Å; E85-R119 IonicContact OE2-CZ 3.58Å; E85-R119 IonicContact OE2-NE 2.58Å; E85-R119 IonicContact OE2-NH2 3.26Å; E85-R119 PolarHBondContact OE2-NH2 2.91Å
86I97.4Very high97.2Very high8 Ų843.2 Ų43.24%0.04123%0.225CC..Hα-helixtrans-59.5-44.5177.8-64.7170.8000109.9V73 A76 T77 F81 S82 I89 L90 F123V73-I86 HydrophobicContact CG1-CG2 4.15Å; V73-I86 HydrophobicContact CG2-CG2 3.98Å; A76-I86 HydrophobicContact CB-CD1 3.95Å; A76-I86 HydrophobicContact CB-CG1 4.2Å; T77-I86 WeakPolarHBondContact OG1-CD1 3.4Å; F81-I86 HydrophobicContact CB-CD1 4.08Å; F81-I86 HydrophobicContact CB-CG1 3.84Å; S82-I86 WeakPolarHBondContact O-CG1 3.49Å; S82-I86 PolarHBondContact O-N 2.77Å; I86-I89 PolarHBondContact O-N 3.11Å; I86-L90 HydrophobicContact CG2-CD1 3.84Å; I86-L90 HydrophobicContact CG2-CG 4.23Å; I86-L90 WeakPolarHBondContact O-CB 3.34Å; I86-L90 WeakPolarHBondContact O-CG 3.47Å; I86-L90 PolarHBondContact O-N 3.03Å; I86-F123 HydrophobicContact CG1-CE2 4.27Å
87T97.1Very high97.2Very high56 Ų5643.3 Ų43.334%0.34423%0.226SC..Hα-helixtrans-61.2-46.4178.4-65.40000111.7P8 D83 E84 E85 I89 S91 Y685P8-T87 HydrophobicContact CB-CG2 4.13Å; P8-T87 HydrophobicContact CG-CG2 4.09Å; D83-T87 WeakPolarHBondContact O-CB 3.45Å; D83-T87 PolarHBondContact O-N 3.42Å; D83-T87 PolarHBondContact O-OG1 3.33Å; E84-T87 PolarHBondContact O-N 3.16Å; E85-T87 VanDerWaalsContact C-N 3.29Å; E85-T87 PolarHBondContact O-N 3.08Å; T87-I89 PolarHBondContact O-N 3.24Å; T87-S91 WeakPolarHBondContact O-CB 3.43Å; T87-S91 PolarHBondContact O-N 3.31Å; T87-S91 PolarHBondContact O-OG 3.25Å; T87-Y685 HydrophobicContact CG2-CD2 4.39Å; T87-Y685 HydrophobicContact CG2-CE2 3.84Å
88H97.1Very high97.2Very high36 Ų3641.2 Ų41.217%0.16722%0.217CC..Hα-helixtrans-65.3-37.6178.6-82.1-66.9000113.1P8 E84 E85 S91 Y92 A114 I115P8-H88 VanDerWaalsContact CD-CE1 3.49Å; P8-H88 WeakPolarHBondContact CD-CE1 3.32Å; E84-H88 PolarHBondContact O-CD2 3.26Å; E84-H88 VanDerWaalsContact O-CD2 3.22Å; E84-H88 PolarHBondContact O-N 3.49Å; E85-H88 PolarHBondContact O-N 2.91Å; H88-S91 WeakPolarHBondContact CA-OG 3.36Å; H88-S91 PolarHBondContact O-OG 2.92Å; H88-S91 VanDerWaalsContact O-OG 3.13Å; H88-Y92 PolarHBondContact O-N 3.38Å; H88-A114 HydrophobicContact CB-CB 4.14Å; H88-A114 WeakPolarHBondContact ND1-CB 3.32Å; H88-I115 HydrophobicContact CB-CD1 4.03Å; H88-I115 HydrophobicContact CB-CG1 3.79Å
89I97.6Very high97.2Very high3 Ų334.3 Ų34.32%0.01519%0.188CC..Hα-helixtrans-68.1-52.5177.1-66.2169.1000110.7E85 I86 T87 S91 Y92 F93 I115 V120 F123E85-I89 VanDerWaalsContact O-CG1 3.3Å; E85-I89 WeakPolarHBondContact O-CG1 3.47Å; E85-I89 PolarHBondContact O-N 3.17Å; I86-I89 PolarHBondContact O-N 3.11Å; T87-I89 PolarHBondContact O-N 3.24Å; I89-S91 PolarHBondContact O-N 3.17Å; I89-Y92 WeakPolarHBondContact O-CB 3.37Å; I89-Y92 PolarHBondContact O-N 2.86Å; I89-F93 HydrophobicContact CG2-CD2 4.15Å; I89-F93 HydrophobicContact CG2-CE2 3.63Å; I89-F93 HydrophobicContact CG2-CZ 4.26Å; I89-F93 PolarHBondContact O-N 3.31Å; I89-I115 HydrophobicContact CD1-CG2 4.45Å; I89-I115 HydrophobicContact CG1-CB 4.2Å; I89-I115 HydrophobicContact CG1-CG1 3.95Å; I89-V120 HydrophobicContact CD1-CG2 4.19Å; I89-V120 HydrophobicContact CG1-CG2 3.99Å; I89-V120 HydrophobicContact CG2-CG1 4.46Å; I89-F123 HydrophobicContact CD1-CB 3.92Å; I89-F123 HydrophobicContact CD1-CD1 4.03Å; I89-F123 HydrophobicContact CD1-CD2 4Å; I89-F123 HydrophobicContact CD1-CE1 4.5Å; I89-F123 HydrophobicContact CD1-CE2 4.49Å; I89-F123 HydrophobicContact CD1-CG 3.74Å; I89-F123 HydrophobicContact CG2-CD1 3.88Å; I89-F123 HydrophobicContact CG2-CE1 3.65Å; I89-F123 HydrophobicContact CG2-CZ 4.28Å
90L97.9Very high97.2Very high5 Ų531 Ų313%0.02617%0.17CC..Hα-helixtrans-69.2-36.2-176.8-65.3-174.7000112.5F64 V69 V73 I86 Y92 F93 A94 F123 P686 I689F64-L90 HydrophobicContact CE1-CD2 4.47Å; F64-L90 HydrophobicContact CZ-CD2 3.84Å; V69-L90 HydrophobicContact CG1-CD1 4.46Å; V69-L90 HydrophobicContact CG1-CD2 4.37Å; V73-L90 HydrophobicContact CG2-CD1 3.48Å; V73-L90 VanDerWaalsContact CG2-CD1 3.48Å; I86-L90 HydrophobicContact CG2-CD1 3.84Å; I86-L90 HydrophobicContact CG2-CG 4.23Å; I86-L90 WeakPolarHBondContact O-CB 3.34Å; I86-L90 WeakPolarHBondContact O-CG 3.47Å; I86-L90 PolarHBondContact O-N 3.03Å; L90-Y92 VanDerWaalsContact C-N 3.29Å; L90-Y92 PolarHBondContact O-N 3.08Å; L90-F93 PolarHBondContact O-N 3.26Å; L90-A94 VanDerWaalsContact O-CB 3.3Å; L90-A94 WeakPolarHBondContact O-CB 3.44Å; L90-A94 PolarHBondContact O-N 2.83Å; L90-F123 HydrophobicContact CD2-CZ 4.49Å; L90-P686 HydrophobicContact CD1-CG 3.96Å; L90-I689 HydrophobicContact CB-CD1 4.27Å; L90-I689 HydrophobicContact CD2-CD1 3.83Å
91S97.5Very high97.3Very high0 Ų024.3 Ų24.30%013%0.134CC..Hα-helixtrans-63.7-35.6174.863.70000111.9N6 T87 H88 I89 S95 Y685N6-S91 PolarHBondContact ND2-OG 2.79Å; N6-S91 VanDerWaalsContact ND2-OG 3.15Å; T87-S91 WeakPolarHBondContact O-CB 3.43Å; T87-S91 PolarHBondContact O-N 3.31Å; T87-S91 PolarHBondContact O-OG 3.25Å; H88-S91 WeakPolarHBondContact CA-OG 3.36Å; H88-S91 PolarHBondContact O-OG 2.92Å; H88-S91 VanDerWaalsContact O-OG 3.13Å; I89-S91 PolarHBondContact O-N 3.17Å; S91-S95 VanDerWaalsContact O-CB 3.29Å; S91-S95 WeakPolarHBondContact O-CB 3.29Å; S91-S95 PolarHBondContact O-N 3.48Å; S91-S95 PolarHBondContact O-OG 3.17Å; S91-Y685 VanDerWaalsContact CB-CE1 3.49Å
92Y98.1Very high97.3Very high1 Ų124 Ų240%0.00413%0.133CC..Hα-helixtrans-61.8-50.9173.7175.5-96.5000111.4N6 I56 H88 I89 L90 A94 S95 V96 F111 P113 M148N6-Y92 HydrophobicContact CB-CD2 4.06Å; N6-Y92 PolarHBondContact ND2-N 3.3Å; I56-Y92 HydrophobicContact CG2-CE1 4.46Å; H88-Y92 PolarHBondContact O-N 3.38Å; I89-Y92 WeakPolarHBondContact O-CB 3.37Å; I89-Y92 PolarHBondContact O-N 2.86Å; L90-Y92 VanDerWaalsContact C-N 3.29Å; L90-Y92 PolarHBondContact O-N 3.08Å; Y92-A94 PolarHBondContact O-N 2.98Å; Y92-S95 WeakPolarHBondContact O-CB 3.45Å; Y92-S95 PolarHBondContact O-N 3.3Å; Y92-V96 HydrophobicContact CD1-CG2 4.37Å; Y92-V96 HydrophobicContact CE1-CG2 3.81Å; Y92-V96 HydrophobicContact CE2-CG2 4.12Å; Y92-V96 WeakPolarHBondContact O-CG2 3.29Å; Y92-V96 PolarHBondContact O-N 3.41Å; Y92-F111 AromaticContact CD2-CD2 3.81Å; Y92-F111 HydrophobicContact CD2-CD2 3.81Å; Y92-F111 AromaticContact CD2-CE2 4Å; Y92-F111 HydrophobicContact CD2-CE2 4Å; Y92-F111 AromaticContact CE2-CD2 3.63Å; Y92-F111 HydrophobicContact CE2-CD2 3.63Å; Y92-F111 AromaticContact CE2-CE2 3.79Å; Y92-F111 HydrophobicContact CE2-CE2 3.79Å; Y92-F111 WeakPolarHBondContact CE2-O 3.32Å; Y92-P113 HydrophobicContact CD1-CB 4.48Å; Y92-P113 HydrophobicContact CD1-CG 3.71Å; Y92-P113 HydrophobicContact CD2-CB 4.28Å; Y92-P113 HydrophobicContact CD2-CG 3.79Å; Y92-P113 HydrophobicContact CE1-CG 3.83Å; Y92-P113 HydrophobicContact CE2-CG 3.92Å; Y92-P113 HydrophobicContact CG-CB 4.11Å; Y92-P113 HydrophobicContact CG-CG 3.69Å; Y92-M148 HydrophobicContact CE1-CG 4.02Å; Y92-M148 HydrophobicContact CE1-SD 3.52Å; Y92-M148 VanDerWaalsContact CE1-SD 3.52Å; Y92-M148 WeakPolarHBondContact OH-CG 3.47Å
93F98Very high97.2Very high1 Ų121.5 Ų21.50%0.00412%0.115CC..Hα-helixtrans-61.5-44.6178.6-64.2-36.3000111.8F59 V60 F64 I89 L90 S95 V96 L97 W141 I689F59-F93 HydrophobicContact CE1-CZ 4.35Å; V60-F93 HydrophobicContact CG1-CB 4.23Å; V60-F93 HydrophobicContact CG2-CB 3.97Å; V60-F93 HydrophobicContact CG2-CD1 3.44Å; V60-F93 VanDerWaalsContact CG2-CD1 3.44Å; V60-F93 HydrophobicContact CG2-CD2 4.48Å; V60-F93 HydrophobicContact CG2-CE1 4.02Å; V60-F93 HydrophobicContact CG2-CG 3.73Å; F64-F93 AromaticContact CE2-CD2 3.88Å; F64-F93 HydrophobicContact CE2-CD2 3.88Å; F64-F93 HydrophobicContact CE2-CE2 4.33Å; F64-F93 HydrophobicContact CZ-CD2 4.25Å; I89-F93 HydrophobicContact CG2-CD2 4.15Å; I89-F93 HydrophobicContact CG2-CE2 3.63Å; I89-F93 HydrophobicContact CG2-CZ 4.26Å; I89-F93 PolarHBondContact O-N 3.31Å; L90-F93 PolarHBondContact O-N 3.26Å; F93-S95 VanDerWaalsContact C-N 3.33Å; F93-S95 PolarHBondContact O-N 2.82Å; F93-V96 PolarHBondContact O-N 3.3Å; F93-L97 VanDerWaalsContact O-CG 3.32Å; F93-L97 WeakPolarHBondContact O-CG 3.48Å; F93-L97 PolarHBondContact O-N 3.25Å; F93-W141 HydrophobicContact CE1-CZ3 4.47Å; F93-W141 HydrophobicContact CZ-CZ3 4.5Å; F93-I689 HydrophobicContact CB-CD1 4.12Å
94A98Very high97.1Very high0 Ų018.8 Ų18.80%010%0.101CC..Hα-helixtrans-61-40175.700000112.4L90 Y92 L97 G98 I663 Y685 V688 I689L90-A94 VanDerWaalsContact O-CB 3.3Å; L90-A94 WeakPolarHBondContact O-CB 3.44Å; L90-A94 PolarHBondContact O-N 2.83Å; Y92-A94 PolarHBondContact O-N 2.98Å; A94-L97 PolarHBondContact O-N 3.08Å; A94-G98 PolarHBondContact O-N 2.93Å; A94-I663 HydrophobicContact CB-CD1 3.69Å; A94-Y685 HydrophobicContact CB-CD1 3.85Å; A94-Y685 HydrophobicContact CB-CG 4.47Å; A94-V688 HydrophobicContact CB-CB 3.95Å; A94-V688 HydrophobicContact CB-CG1 3.91Å; A94-V688 HydrophobicContact CB-CG2 4.42Å; A94-I689 HydrophobicContact CB-CG1 4.37Å
95S97.6Very high96.8Very high3 Ų314 Ų142%0.0218%0.082CC..Hα-helixtrans-62.9-42.1174.5-70.20000112.2N6 S91 Y92 F93 G98 N99N6-S95 PolarHBondContact OD1-OG 3.21Å; S91-S95 VanDerWaalsContact O-CB 3.29Å; S91-S95 WeakPolarHBondContact O-CB 3.29Å; S91-S95 PolarHBondContact O-N 3.48Å; S91-S95 PolarHBondContact O-OG 3.17Å; Y92-S95 WeakPolarHBondContact O-CB 3.45Å; Y92-S95 PolarHBondContact O-N 3.3Å; F93-S95 VanDerWaalsContact C-N 3.33Å; F93-S95 PolarHBondContact O-N 2.82Å; S95-G98 PolarHBondContact O-N 2.92Å; S95-N99 WeakPolarHBondContact O-CB 3.49Å; S95-N99 PolarHBondContact O-N 2.91Å; S95-N99 PolarHBondContact O-ND2 3.3Å
96V97.9Very high96.2Very high1 Ų114.1 Ų14.11%0.0068%0.082CC..Hα-helixtrans-62.5-45176.2173.50000111.1I56 Y92 F93 F100 G101 N102 F111I56-V96 HydrophobicContact CB-CG1 4.32Å; I56-V96 HydrophobicContact CG2-CB 4.4Å; I56-V96 HydrophobicContact CG2-CG1 3.84Å; I56-V96 HydrophobicContact CG2-CG2 4.23Å; Y92-V96 HydrophobicContact CD1-CG2 4.37Å; Y92-V96 HydrophobicContact CE1-CG2 3.81Å; Y92-V96 HydrophobicContact CE2-CG2 4.12Å; Y92-V96 WeakPolarHBondContact O-CG2 3.29Å; Y92-V96 PolarHBondContact O-N 3.41Å; F93-V96 PolarHBondContact O-N 3.3Å; V96-F100 PolarHBondContact O-N 3.42Å; V96-F100 VanDerWaalsContact O-N 3.13Å; V96-G101 WeakPolarHBondContact CA-O 3.34Å; V96-G101 PolarHBondContact O-N 3.05Å; V96-N102 HydrophobicContact CG2-CB 4.3Å; V96-F111 HydrophobicContact CG2-CE2 3.73Å; V96-F111 HydrophobicContact CG2-CZ 3.96Å
97L97.6Very high95.5Very high3 Ų313.9 Ų13.92%0.0168%0.082CC..Hα-helixtrans-62-45.3176.5-64.1174.9000111.4F57 V60 F93 A94 N99 F100 I689 F692F57-L97 HydrophobicContact CD2-CD2 3.45Å; F57-L97 VanDerWaalsContact CD2-CD2 3.45Å; F57-L97 HydrophobicContact CE2-CD2 3.51Å; F57-L97 HydrophobicContact CG-CD2 4.42Å; F57-L97 HydrophobicContact CZ-CD2 4.5Å; V60-L97 HydrophobicContact CG1-CD1 4.01Å; V60-L97 HydrophobicContact CG1-CD2 4.25Å; V60-L97 HydrophobicContact CG1-CG 4.34Å; F93-L97 VanDerWaalsContact O-CG 3.32Å; F93-L97 WeakPolarHBondContact O-CG 3.48Å; F93-L97 PolarHBondContact O-N 3.25Å; A94-L97 PolarHBondContact O-N 3.08Å; L97-N99 PolarHBondContact O-N 3.5Å; L97-F100 PolarHBondContact O-N 3.33Å; L97-I689 HydrophobicContact CD1-CB 4.31Å; L97-I689 HydrophobicContact CD1-CG1 4Å; L97-F692 HydrophobicContact CB-CD1 4.3Å; L97-F692 HydrophobicContact CB-CD2 3.95Å; L97-F692 HydrophobicContact CB-CE1 4.27Å; L97-F692 HydrophobicContact CB-CE2 3.92Å; L97-F692 HydrophobicContact CB-CG 4.14Å; L97-F692 HydrophobicContact CB-CZ 4.08Å; L97-F692 HydrophobicContact CD1-CB 4.05Å; L97-F692 HydrophobicContact CD1-CD2 4.14Å; L97-F692 HydrophobicContact CD1-CG 4.13Å; L97-F692 HydrophobicContact CD2-CB 4.35Å; L97-F692 HydrophobicContact CD2-CD1 4.24Å; L97-F692 HydrophobicContact CD2-CG 4.25Å; L97-F692 HydrophobicContact CG-CG 4.4Å; L97-F692 VanDerWaalsContact O-CZ 3.29Å; L97-F692 WeakPolarHBondContact O-CZ 3.46Å
98G95.7Very high95.1Very high23 Ų2312.8 Ų12.824%0.2377%0.074CC..Hα-helixtrans-71.2-24.1-177.800000115.1A94 S95A94-G98 PolarHBondContact O-N 2.93Å; S95-G98 PolarHBondContact O-N 2.92Å
99N96.5Very high94.9Very high14 Ų1411.5 Ų11.58%0.0757%0.069CC..THydrogen-bonded Turntrans-99-0.7176.2-73-95.5000113.3S95 L97 G101 S105 S373S95-N99 WeakPolarHBondContact O-CB 3.49Å; S95-N99 PolarHBondContact O-N 2.91Å; S95-N99 PolarHBondContact O-ND2 3.3Å; L97-N99 PolarHBondContact O-N 3.5Å; N99-G101 PolarHBondContact O-N 2.99Å; N99-S105 PolarHBondContact OD1-N 3.48Å; N99-S105 PolarHBondContact OD1-OG 3.12Å; N99-S373 WeakPolarHBondContact CA-O 3.29Å; N99-S373 WeakPolarHBondContact O-CA 3.49Å; N99-S373 VanDerWaalsContact O-CB 3.32Å; N99-S373 WeakPolarHBondContact O-CB 3.46Å
100F96.9Very high94.8Very high4 Ų411.5 Ų11.52%0.0187%0.068CC..THydrogen-bonded Turntrans49.839-167.1-80.3-95.5000113W39 G42 L46 T49 V96 L97 A371 T372 F692W39-F100 AromaticContact CE3-CZ 3.91Å; W39-F100 HydrophobicContact CE3-CZ 3.91Å; W39-F100 AromaticContact CZ3-CE2 3.99Å; W39-F100 HydrophobicContact CZ3-CE2 3.99Å; W39-F100 AromaticContact CZ3-CZ 3.6Å; W39-F100 HydrophobicContact CZ3-CZ 3.6Å; G42-F100 WeakPolarHBondContact O-CD1 3.39Å; G42-F100 WeakPolarHBondContact O-CE1 3.32Å; L46-F100 WeakPolarHBondContact CA-O 3.41Å; L46-F100 HydrophobicContact CD1-CD1 4.46Å; L46-F100 WeakPolarHBondContact CD2-O 3.24Å; L46-F100 HydrophobicContact CG-CD1 4.1Å; T49-F100 PolarHBondContact OG1-O 2.93Å; V96-F100 PolarHBondContact O-N 3.42Å; V96-F100 VanDerWaalsContact O-N 3.13Å; L97-F100 PolarHBondContact O-N 3.33Å; F100-A371 HydrophobicContact CZ-CB 4.29Å; F100-T372 WeakPolarHBondContact CD2-O 3.46Å; F100-T372 WeakPolarHBondContact CE2-O 3.38Å; F100-F692 HydrophobicContact CZ-CE1 4.38Å
101G97.6Very high94.7Very high0 Ų011.5 Ų11.50%07%0.068CC..SBendtrans156.2176.117700000114.1S53 V96 N99 Y103 F111S53-G101 WeakPolarHBondContact OG-CA 3.45Å; V96-G101 WeakPolarHBondContact CA-O 3.34Å; V96-G101 PolarHBondContact O-N 3.05Å; N99-G101 PolarHBondContact O-N 2.99Å; G101-Y103 VanDerWaalsContact C-N 3.28Å; G101-Y103 PolarHBondContact O-N 3.23Å; G101-F111 WeakPolarHBondContact O-CZ 3.49Å
102N97.6Very high94.7Very high0 Ų012.2 Ų12.20%07%0.072CC..SBendtrans-90.222.9-176.969.2-30.6000114.4S50 E52 S53 I56 V96 K110 F111S50-N102 PolarHBondContact OG-OD1 2.95Å; E52-N102 WeakPolarHBondContact CG-ND2 3.49Å; E52-N102 PolarHBondContact OE1-ND2 3.27Å; S53-N102 PolarHBondContact OG-N 2.92Å; S53-N102 PolarHBondContact OG-OD1 3.32Å; S53-N102 VanDerWaalsContact OG-OD1 3.09Å; I56-N102 HydrophobicContact CD1-CB 4.04Å; V96-N102 HydrophobicContact CG2-CB 4.3Å; N102-K110 WeakPolarHBondContact O-CA 3.5Å; N102-F111 WeakPolarHBondContact O-CD1 3Å; N102-F111 PolarHBondContact O-N 2.82Å; N102-F111 VanDerWaalsContact O-N 3.11Å
103Y96Very high94.6Very high0 Ų012.5 Ų12.50%07%0.074CC..BIsolated β-bridgetrans-126.8135.8173.1-69.7-107.9000108.4T49 G101 S105 T109 K110 R155 L158 I165T49-Y103 HydrophobicContact CG2-CD2 3.96Å; T49-Y103 HydrophobicContact CG2-CG 4.38Å; G101-Y103 VanDerWaalsContact C-N 3.28Å; G101-Y103 PolarHBondContact O-N 3.23Å; Y103-S105 PolarHBondContact O-N 3.3Å; Y103-T109 WeakPolarHBondContact CA-O 3.39Å; Y103-K110 HydrophobicContact CD1-CB 3.98Å; Y103-K110 HydrophobicContact CE1-CB 3.67Å; Y103-K110 HydrophobicContact CE1-CG 4.39Å; Y103-K110 HydrophobicContact CE2-CB 4.49Å; Y103-K110 HydrophobicContact CE2-CD 4.46Å; Y103-K110 HydrophobicContact CE2-CG 4.39Å; Y103-R155 WeakPolarHBondContact CE1-O 3.3Å; Y103-R155 PolarHBondContact OH-O 3.14Å; Y103-L158 HydrophobicContact CD1-CD2 3.51Å; Y103-L158 HydrophobicContact CD1-CG 3.67Å; Y103-L158 HydrophobicContact CD2-CD2 4.08Å; Y103-L158 HydrophobicContact CE1-CD2 3.67Å; Y103-L158 HydrophobicContact CE1-CG 4.22Å; Y103-L158 HydrophobicContact CE2-CD2 4.24Å; Y103-L158 HydrophobicContact CG-CD1 4.49Å; Y103-L158 HydrophobicContact CG-CD2 3.74Å; Y103-L158 HydrophobicContact CG-CG 4Å; Y103-I165 HydrophobicContact CE1-CG2 4.09Å; Y103-I165 VanDerWaalsContact OH-CG2 3.23Å; Y103-I165 WeakPolarHBondContact OH-CG2 3.29Å
104L93.7Very high94.4Very high62 Ų6214.4 Ų14.433%0.3259%0.09SC..  trans-62.8125.6179-62.9178.1000109.6F106 D108 T109 F111L104-F106 PolarHBondContact O-N 3.08Å; L104-D108 VanDerWaalsContact O-CA 3.31Å; L104-D108 WeakPolarHBondContact O-CA 3.47Å; L104-D108 PolarHBondContact O-N 3.39Å; L104-T109 PolarHBondContact N-O 2.96Å; L104-F111 HydrophobicContact CD2-CD1 3.66Å; L104-F111 HydrophobicContact CD2-CE1 3.95Å; L104-F111 HydrophobicContact CD2-CG 4.4Å; L104-F111 HydrophobicContact CG-CD1 3.9Å; L104-F111 HydrophobicContact CG-CE1 4.45Å
105S89.1Confident94.4Very high35 Ų3515.6 Ų15.625%0.24510%0.096CC..THydrogen-bonded Turntrans-62.3-22.5175.255.60000113N99 Y103 S373N99-S105 PolarHBondContact OD1-N 3.48Å; N99-S105 PolarHBondContact OD1-OG 3.12Å; Y103-S105 PolarHBondContact O-N 3.3Å; S105-S373 VanDerWaalsContact CB-C 3.42Å; S105-S373 WeakPolarHBondContact CB-O 3.43Å; S105-S373 WeakPolarHBondContact CB-OG 3.36Å; S105-S373 PolarHBondContact OG-O 3.1Å
106F85.2Confident94.2Very high41 Ų4120.2 Ų20.218%0.1812%0.12CC..THydrogen-bonded Turntrans-107.794.2171.9-157.5-101.2000110.8L104 F547 Q562 R661L104-F106 PolarHBondContact O-N 3.08Å; F106-F547 HydrophobicContact CD1-CD1 4.38Å; F106-F547 AromaticContact CD1-CE1 3.43Å; F106-F547 HydrophobicContact CD1-CE1 3.43Å; F106-F547 VanDerWaalsContact CD1-CE1 3.43Å; F106-F547 HydrophobicContact CD1-CE2 4.1Å; F106-F547 AromaticContact CD1-CZ 3.29Å; F106-F547 HydrophobicContact CD1-CZ 3.29Å; F106-F547 HydrophobicContact CE1-CD1 4.3Å; F106-F547 HydrophobicContact CE1-CD2 4.23Å; F106-F547 AromaticContact CE1-CE1 3.62Å; F106-F547 HydrophobicContact CE1-CE1 3.62Å; F106-F547 AromaticContact CE1-CE2 3.52Å; F106-F547 HydrophobicContact CE1-CE2 3.52Å; F106-F547 AromaticContact CE1-CZ 3.21Å; F106-F547 HydrophobicContact CE1-CZ 3.21Å; F106-F547 HydrophobicContact CZ-CZ 4.49Å; F106-Q562 HydrophobicContact CD2-CG 3.96Å; F106-Q562 HydrophobicContact CE1-CG 4.23Å; F106-Q562 VanDerWaalsContact CE2-CD 3.41Å; F106-Q562 HydrophobicContact CE2-CG 3.41Å; F106-Q562 VanDerWaalsContact CE2-CG 3.41Å; F106-Q562 HydrophobicContact CZ-CB 4.37Å; F106-Q562 HydrophobicContact CZ-CG 3.55Å; F106-R661 VanDerWaalsContact CD1-NH1 3.31Å; F106-R661 VanDerWaalsContact CZ-NH1 3.34Å
107G81.8Confident94.2Very high4 Ų422.3 Ų22.34%0.04113%0.133CC..THydrogen-bonded Turntrans114-6.9175.500000115.2T109G107-T109 PolarHBondContact O-N 3.18Å
108D90.3Very high94.2Very high32 Ų3227.9 Ų27.917%0.17116%0.163CC..  trans54.134.4171.5-73.4-33.2000115.2L104 R157 L158 R308L104-D108 VanDerWaalsContact O-CA 3.31Å; L104-D108 WeakPolarHBondContact O-CA 3.47Å; L104-D108 PolarHBondContact O-N 3.39Å; D108-R157 WeakPolarHBondContact O-CA 3.37Å; D108-L158 HydrophobicContact CB-CB 4Å; D108-L158 HydrophobicContact CB-CD1 4.28Å; D108-L158 HydrophobicContact CB-CG 4.18Å; D108-L158 PolarHBondContact O-N 3.48Å; D108-R308 IonicContact OD1-CZ 3.6Å; D108-R308 IonicContact OD1-NE 2.9Å; D108-R308 PolarHBondContact OD1-NE 2.94Å; D108-R308 IonicContact OD1-NH2 3.36Å; D108-R308 PolarHBondContact OD1-NH2 3.24Å
109T92.1Very high94.3Very high10 Ų1029.3 Ų29.36%0.06116%0.161CC..BIsolated β-bridgetrans-102.9139.3176.753.10000110.9F3 Y103 L104 G107 R157F3-T109 HydrophobicContact CE1-CG2 4.11Å; Y103-T109 WeakPolarHBondContact CA-O 3.39Å; L104-T109 PolarHBondContact N-O 2.96Å; G107-T109 PolarHBondContact O-N 3.18Å; T109-R157 HydrophobicContact CG2-CG 4.35Å
110K95.3Very high94.3Very high2 Ų228.8 Ų28.81%0.00916%0.159CC..BIsolated β-bridgetrans-62.1148.3173.9-172.7167.1-178.8176.90111.5Y4 E52 N102 Y103 I112 A147 M148 S150 R155 L156Y4-K110 WeakPolarHBondContact CD1-O 3.31Å; E52-K110 IonicContact OE1-NZ 3.69Å; N102-K110 WeakPolarHBondContact O-CA 3.5Å; Y103-K110 HydrophobicContact CD1-CB 3.98Å; Y103-K110 HydrophobicContact CE1-CB 3.67Å; Y103-K110 HydrophobicContact CE1-CG 4.39Å; Y103-K110 HydrophobicContact CE2-CB 4.49Å; Y103-K110 HydrophobicContact CE2-CD 4.46Å; Y103-K110 HydrophobicContact CE2-CG 4.39Å; K110-I112 HydrophobicContact CD-CG2 4.49Å; K110-I112 HydrophobicContact CG-CG2 4.37Å; K110-A147 PolarHBondContact NZ-O 3.03Å; K110-M148 WeakPolarHBondContact CE-O 3.49Å; K110-S150 WeakPolarHBondContact CE-O 3.42Å; K110-S150 PolarHBondContact NZ-O 3.26Å; K110-R155 WeakPolarHBondContact CB-O 3.39Å; K110-R155 HydrophobicContact CD-CB 4.36Å; K110-R155 WeakPolarHBondContact CD-O 3.31Å; K110-L156 PolarHBondContact N-O 3Å
111F95.9Very high94.3Very high6 Ų630.4 Ų30.43%0.02617%0.169CC..  trans-128.7142.9165.159.5-86.7000110.7Y4 N6 Y92 V96 G101 N102 L104Y4-F111 CarbonylContact O-C 3.57Å; Y4-F111 VanDerWaalsContact O-CA 3.25Å; Y4-F111 WeakPolarHBondContact O-CA 3.39Å; N6-F111 HydrophobicContact CB-CB 4.45Å; N6-F111 HydrophobicContact CB-CD2 4.11Å; Y92-F111 AromaticContact CD2-CD2 3.81Å; Y92-F111 HydrophobicContact CD2-CD2 3.81Å; Y92-F111 AromaticContact CD2-CE2 4Å; Y92-F111 HydrophobicContact CD2-CE2 4Å; Y92-F111 AromaticContact CE2-CD2 3.63Å; Y92-F111 HydrophobicContact CE2-CD2 3.63Å; Y92-F111 AromaticContact CE2-CE2 3.79Å; Y92-F111 HydrophobicContact CE2-CE2 3.79Å; Y92-F111 WeakPolarHBondContact CE2-O 3.32Å; V96-F111 HydrophobicContact CG2-CE2 3.73Å; V96-F111 HydrophobicContact CG2-CZ 3.96Å; G101-F111 WeakPolarHBondContact O-CZ 3.49Å; N102-F111 WeakPolarHBondContact O-CD1 3Å; N102-F111 PolarHBondContact O-N 2.82Å; N102-F111 VanDerWaalsContact O-N 3.11Å; L104-F111 HydrophobicContact CD2-CD1 3.66Å; L104-F111 HydrophobicContact CD2-CE1 3.95Å; L104-F111 HydrophobicContact CD2-CG 4.4Å; L104-F111 HydrophobicContact CG-CD1 3.9Å; L104-F111 HydrophobicContact CG-CE1 4.45Å
112I97Very high94.3Very high14 Ų1435 Ų357%0.07219%0.19CC..BIsolated β-bridgetrans-120.8159-179.970.1163.3000110.9Y4 I5 N6 K110 M148 Y149 L151Y4-I112 WeakPolarHBondContact O-CG1 3.49Å; Y4-I112 PolarHBondContact O-N 2.88Å; I5-I112 HydrophobicContact CG1-CG1 4.47Å; N6-I112 WeakPolarHBondContact CB-O 3.47Å; N6-I112 PolarHBondContact N-O 3.41Å; K110-I112 HydrophobicContact CD-CG2 4.49Å; K110-I112 HydrophobicContact CG-CG2 4.37Å; I112-M148 VanDerWaalsContact CG2-O 3.3Å; I112-M148 WeakPolarHBondContact CG2-O 3.44Å; I112-Y149 HydrophobicContact CD1-CD1 4.45Å; I112-L151 HydrophobicContact CD1-CD1 4.01Å; I112-L151 HydrophobicContact CD1-CD2 3.9Å; I112-L151 HydrophobicContact CD1-CG 4Å; I112-L151 HydrophobicContact CG1-CD2 4.36Å; I112-L151 HydrophobicContact CG2-CD2 4.05Å
113P96.6Very high94.3Very high8 Ų835 Ų355%0.05219%0.19CC..  trans-60.2141.2173.7-18.730.2000111.5Y92 I115 M148 Y149Y92-P113 HydrophobicContact CD1-CB 4.48Å; Y92-P113 HydrophobicContact CD1-CG 3.71Å; Y92-P113 HydrophobicContact CD2-CB 4.28Å; Y92-P113 HydrophobicContact CD2-CG 3.79Å; Y92-P113 HydrophobicContact CE1-CG 3.83Å; Y92-P113 HydrophobicContact CE2-CG 3.92Å; Y92-P113 HydrophobicContact CG-CB 4.11Å; Y92-P113 HydrophobicContact CG-CG 3.69Å; P113-I115 VanDerWaalsContact C-N 3.26Å; P113-I115 PolarHBondContact O-N 2.88Å; P113-M148 HydrophobicContact CG-CE 3.94Å; P113-M148 HydrophobicContact CG-SD 4.45Å; P113-Y149 HydrophobicContact CB-CE1 3.89Å; P113-Y149 WeakPolarHBondContact CB-OH 3.49Å; P113-Y149 HydrophobicContact CG-CE1 3.88Å; P113-Y149 HydrophobicContact CG-CE2 4.06Å
114A95Very high94.4Very high40 Ų4035 Ų3533%0.33119%0.19SC..SBendtrans-71.8-23.2174.900000112.9I5 H88I5-A114 HydrophobicContact CG2-CB 3.39Å; H88-A114 HydrophobicContact CB-CB 4.14Å; H88-A114 WeakPolarHBondContact ND1-CB 3.32Å
115I96.2Very high94.5Very high25 Ų2534.5 Ų34.513%0.12819%0.192CC..SBendtrans-89.2137.3-179.3-55.3-52.6000109.8E85 H88 I89 P113 R119 V120 Y149E85-I115 HydrophobicContact CB-CD1 4.42Å; E85-I115 HydrophobicContact CG-CD1 4.15Å; H88-I115 HydrophobicContact CB-CD1 4.03Å; H88-I115 HydrophobicContact CB-CG1 3.79Å; I89-I115 HydrophobicContact CD1-CG2 4.45Å; I89-I115 HydrophobicContact CG1-CB 4.2Å; I89-I115 HydrophobicContact CG1-CG1 3.95Å; P113-I115 VanDerWaalsContact C-N 3.26Å; P113-I115 PolarHBondContact O-N 2.88Å; I115-R119 HydrophobicContact CG2-CB 3.67Å; I115-R119 HydrophobicContact CG2-CG 3.62Å; I115-V120 HydrophobicContact CB-CG2 3.79Å; I115-V120 HydrophobicContact CG2-CG2 3.73Å; I115-Y149 VanDerWaalsContact O-CE1 3.25Å; I115-Y149 WeakPolarHBondContact O-CE1 3.12Å; I115-Y149 PolarHBondContact O-OH 3.2Å
116N95.2Very high94.9Very high100 Ų10034.7 Ų34.754%0.53519%0.19SC..  trans-55.5140.6177.1-177.1-59000111.3D118 R119 V120N116-D118 PolarHBondContact O-N 3.13Å; N116-D118 VanDerWaalsContact O-N 3.15Å; N116-D118 PolarHBondContact OD1-N 2.85Å; N116-R119 PolarHBondContact O-N 2.86Å; N116-V120 PolarHBondContact O-N 3.44Å
117V96.9Very high95.4Very high45 Ų4532.8 Ų32.827%0.27318%0.182SC..Hα-helixtrans-50.4-37.8-179.865.20000114V120 T121 W141 A145 Y149V117-V120 PolarHBondContact O-N 3.45Å; V117-T121 WeakPolarHBondContact O-CB 3.29Å; V117-T121 PolarHBondContact O-N 3.5Å; V117-T121 PolarHBondContact O-OG1 3.14Å; V117-W141 HydrophobicContact CG2-CZ2 4.38Å; V117-A145 HydrophobicContact CG2-CB 4.08Å; V117-Y149 HydrophobicContact CB-CD2 3.78Å; V117-Y149 HydrophobicContact CB-CE1 4.37Å; V117-Y149 HydrophobicContact CB-CE2 3.51Å; V117-Y149 HydrophobicContact CB-CG 4.31Å; V117-Y149 HydrophobicContact CG2-CD2 3.83Å; V117-Y149 HydrophobicContact CG2-CE2 3.62Å
118D97.4Very high95.9Very high121 Ų12136.8 Ų36.865%0.64721%0.209SC*.Hα-helixtrans-67.7-40.9179.8-68.6-28.3000111.1N116 T121 E122N116-D118 PolarHBondContact O-N 3.13Å; N116-D118 VanDerWaalsContact O-N 3.15Å; N116-D118 PolarHBondContact OD1-N 2.85Å; D118-T121 WeakPolarHBondContact O-CB 3.41Å; D118-T121 PolarHBondContact O-N 3.15Å; D118-E122 PolarHBondContact O-N 3.48Å
119R97.3Very high96.1Very high53 Ų5337.9 Ų37.920%0.221%0.213CC..Hα-helixtrans-70.7-36.3178.1-175.860.1170.3163.36.3111.9N80 F81 E85 I115 N116 T121 E122 F123N80-R119 PolarHBondContact O-NH2 2.7Å; F81-R119 HydrophobicContact CE1-CG 4.17Å; F81-R119 VanDerWaalsContact CE1-NE 3.33Å; E85-R119 IonicContact OE1-CZ 3.58Å; E85-R119 IonicContact OE1-NE 2.64Å; E85-R119 PolarHBondContact OE1-NE 3.1Å; E85-R119 IonicContact OE1-NH2 3.82Å; E85-R119 PolarHBondContact OE1-NH2 3.4Å; E85-R119 IonicContact OE2-CZ 3.58Å; E85-R119 IonicContact OE2-NE 2.58Å; E85-R119 IonicContact OE2-NH2 3.26Å; E85-R119 PolarHBondContact OE2-NH2 2.91Å; I115-R119 HydrophobicContact CG2-CB 3.67Å; I115-R119 HydrophobicContact CG2-CG 3.62Å; N116-R119 PolarHBondContact O-N 2.86Å; R119-T121 VanDerWaalsContact C-N 3.33Å; R119-E122 WeakPolarHBondContact CD-OE2 3.34Å; R119-E122 IonicContact CZ-OE2 2.79Å; R119-E122 IonicContact NE-OE2 3.18Å; R119-E122 IonicContact NH1-OE1 3.58Å; R119-E122 PolarHBondContact NH1-OE1 3Å; R119-E122 VanDerWaalsContact NH1-OE1 3.13Å; R119-E122 IonicContact NH1-OE2 2.7Å; R119-E122 PolarHBondContact NH1-OE2 3.34Å; R119-E122 PolarHBondContact O-N 3.47Å; R119-F123 PolarHBondContact O-N 2.88Å
120V97.5Very high96.3Very high3 Ų337.5 Ų37.52%0.01821%0.21CC..Hα-helixtrans-66.2-38.1169.8-176.80000110.9I89 I115 N116 V117 E122 F123 L124 W141 Y149I89-V120 HydrophobicContact CD1-CG2 4.19Å; I89-V120 HydrophobicContact CG1-CG2 3.99Å; I89-V120 HydrophobicContact CG2-CG1 4.46Å; I115-V120 HydrophobicContact CB-CG2 3.79Å; I115-V120 HydrophobicContact CG2-CG2 3.73Å; N116-V120 PolarHBondContact O-N 3.44Å; V117-V120 PolarHBondContact O-N 3.45Å; V120-E122 VanDerWaalsContact C-N 3.33Å; V120-E122 PolarHBondContact O-N 3.1Å; V120-F123 WeakPolarHBondContact O-CB 3.25Å; V120-F123 PolarHBondContact O-N 3.09Å; V120-L124 HydrophobicContact CG1-CD1 4.09Å; V120-L124 HydrophobicContact CG1-CG 4.37Å; V120-L124 VanDerWaalsContact O-CG 3.24Å; V120-L124 WeakPolarHBondContact O-CG 3.36Å; V120-L124 PolarHBondContact O-N 2.64Å; V120-W141 HydrophobicContact CB-CH2 4.4Å; V120-W141 HydrophobicContact CB-CZ2 4.13Å; V120-W141 HydrophobicContact CG1-CH2 3.59Å; V120-W141 HydrophobicContact CG1-CZ2 3.7Å; V120-Y149 WeakPolarHBondContact CG2-OH 3.48Å
121T97.7Very high96.1Very high37 Ų3740.7 Ų40.723%0.22723%0.233CC..Hα-helixtrans-64.8-38175.8-560000111.7V117 D118 R119 L124 S125 F130 W141V117-T121 WeakPolarHBondContact O-CB 3.29Å; V117-T121 PolarHBondContact O-N 3.5Å; V117-T121 PolarHBondContact O-OG1 3.14Å; D118-T121 WeakPolarHBondContact O-CB 3.41Å; D118-T121 PolarHBondContact O-N 3.15Å; R119-T121 VanDerWaalsContact C-N 3.33Å; T121-L124 PolarHBondContact O-N 3.02Å; T121-S125 WeakPolarHBondContact O-CB 3.27Å; T121-S125 PolarHBondContact O-N 3.25Å; T121-S125 PolarHBondContact O-OG 2.91Å; T121-F130 HydrophobicContact CG2-CE1 4.13Å; T121-F130 HydrophobicContact CG2-CZ 4.28Å; T121-W141 PolarHBondContact OG1-NE1 2.98Å
122E97.5Very high95.9Very high98 Ų9842.9 Ų42.946%0.45825%0.245SC..Hα-helixtrans-62.3-46.2172-172.3-172.8175.100111.4F81 D118 R119 V120 L124 S125 L126F81-E122 HydrophobicContact CZ-CB 4.2Å; F81-E122 HydrophobicContact CZ-CG 4.06Å; D118-E122 PolarHBondContact O-N 3.48Å; R119-E122 WeakPolarHBondContact CD-OE2 3.34Å; R119-E122 IonicContact CZ-OE2 2.79Å; R119-E122 IonicContact NE-OE2 3.18Å; R119-E122 IonicContact NH1-OE1 3.58Å; R119-E122 PolarHBondContact NH1-OE1 3Å; R119-E122 VanDerWaalsContact NH1-OE1 3.13Å; R119-E122 IonicContact NH1-OE2 2.7Å; R119-E122 PolarHBondContact NH1-OE2 3.34Å; R119-E122 PolarHBondContact O-N 3.47Å; V120-E122 VanDerWaalsContact C-N 3.33Å; V120-E122 PolarHBondContact O-N 3.1Å; E122-L124 PolarHBondContact O-N 3.47Å; E122-S125 WeakPolarHBondContact O-CB 3.35Å; E122-S125 PolarHBondContact O-N 2.82Å; E122-S125 VanDerWaalsContact O-N 3.11Å; E122-L126 PolarHBondContact O-N 3.32Å
123F97.5Very high95.5Very high0 Ų047.5 Ų47.50%028%0.278CS..Hα-helixtrans-55-51.3175.5175.6-100.1000111.1F72 A76 F81 I86 I89 L90 R119 V120 S125 L126F72-F123 HydrophobicContact CD1-CE1 4.08Å; F72-F123 HydrophobicContact CD1-CE2 4.46Å; F72-F123 AromaticContact CD1-CZ 3.8Å; F72-F123 HydrophobicContact CD1-CZ 3.8Å; F72-F123 AromaticContact CE1-CD1 3.91Å; F72-F123 HydrophobicContact CE1-CD1 3.91Å; F72-F123 HydrophobicContact CE1-CD2 4.46Å; F72-F123 AromaticContact CE1-CE1 3.42Å; F72-F123 HydrophobicContact CE1-CE1 3.42Å; F72-F123 VanDerWaalsContact CE1-CE1 3.42Å; F72-F123 HydrophobicContact CE1-CE2 4.01Å; F72-F123 HydrophobicContact CE1-CG 4.41Å; F72-F123 AromaticContact CE1-CZ 3.46Å; F72-F123 HydrophobicContact CE1-CZ 3.46Å; F72-F123 VanDerWaalsContact CE1-CZ 3.46Å; F72-F123 HydrophobicContact CZ-CE1 4.47Å; F72-F123 VanDerWaalsContact CZ-O 3.31Å; F72-F123 WeakPolarHBondContact CZ-O 3.44Å; A76-F123 HydrophobicContact CB-CD2 3.82Å; A76-F123 HydrophobicContact CB-CE2 3.39Å; A76-F123 HydrophobicContact CB-CZ 4.44Å; F81-F123 HydrophobicContact CD1-CB 4.24Å; F81-F123 AromaticContact CD1-CD2 3.89Å; F81-F123 HydrophobicContact CD1-CD2 3.89Å; F81-F123 HydrophobicContact CD2-CD2 4.32Å; F81-F123 HydrophobicContact CE1-CB 3.53Å; F81-F123 HydrophobicContact CE1-CD2 4.04Å; F81-F123 HydrophobicContact CE1-CG 4.28Å; F81-F123 HydrophobicContact CE2-CB 4.36Å; F81-F123 HydrophobicContact CE2-CD2 4.46Å; F81-F123 HydrophobicContact CG-CD2 4.04Å; F81-F123 HydrophobicContact CZ-CB 3.61Å; F81-F123 HydrophobicContact CZ-CD2 4.34Å; F81-F123 HydrophobicContact CZ-CG 4.5Å; F81-F123 VanDerWaalsContact CZ-N 3.31Å; I86-F123 HydrophobicContact CG1-CE2 4.27Å; I89-F123 HydrophobicContact CD1-CB 3.92Å; I89-F123 HydrophobicContact CD1-CD1 4.03Å; I89-F123 HydrophobicContact CD1-CD2 4Å; I89-F123 HydrophobicContact CD1-CE1 4.5Å; I89-F123 HydrophobicContact CD1-CE2 4.49Å; I89-F123 HydrophobicContact CD1-CG 3.74Å; I89-F123 HydrophobicContact CG2-CD1 3.88Å; I89-F123 HydrophobicContact CG2-CE1 3.65Å; I89-F123 HydrophobicContact CG2-CZ 4.28Å; L90-F123 HydrophobicContact CD2-CZ 4.49Å; R119-F123 PolarHBondContact O-N 2.88Å; V120-F123 WeakPolarHBondContact O-CB 3.25Å; V120-F123 PolarHBondContact O-N 3.09Å; F123-S125 VanDerWaalsContact C-N 3.26Å; F123-S125 PolarHBondContact O-N 2.83Å; F123-L126 VanDerWaalsContact O-CB 3.32Å; F123-L126 WeakPolarHBondContact O-CB 3.1Å; F123-L126 VanDerWaalsContact O-CG 3.3Å; F123-L126 WeakPolarHBondContact O-CG 3.24Å; F123-L126 PolarHBondContact O-N 3.05Å
124L97.2Very high95.1Very high0 Ų055.5 Ų55.50%032%0.315CS..Hα-helixtrans-62.7-33.7178.6-64.8168000112.3F59 F63 V120 T121 E122 L126 S127 F130 W141F59-L124 HydrophobicContact CE1-CD1 3.96Å; F59-L124 HydrophobicContact CE1-CD2 3.89Å; F59-L124 HydrophobicContact CZ-CD1 3.59Å; F59-L124 HydrophobicContact CZ-CD2 3.78Å; F59-L124 HydrophobicContact CZ-CG 4.23Å; F63-L124 HydrophobicContact CD2-CD2 4.02Å; F63-L124 HydrophobicContact CE1-CD2 4.28Å; F63-L124 HydrophobicContact CE2-CB 4.25Å; F63-L124 HydrophobicContact CE2-CD2 3.73Å; F63-L124 HydrophobicContact CG-CD2 4.42Å; F63-L124 HydrophobicContact CZ-CD2 3.88Å; V120-L124 HydrophobicContact CG1-CD1 4.09Å; V120-L124 HydrophobicContact CG1-CG 4.37Å; V120-L124 VanDerWaalsContact O-CG 3.24Å; V120-L124 WeakPolarHBondContact O-CG 3.36Å; V120-L124 PolarHBondContact O-N 2.64Å; T121-L124 PolarHBondContact O-N 3.02Å; E122-L124 PolarHBondContact O-N 3.47Å; L124-L126 PolarHBondContact O-N 3.27Å; L124-S127 PolarHBondContact O-N 3.03Å; L124-S127 VanDerWaalsContact O-N 3.16Å; L124-F130 HydrophobicContact CB-CD1 4.25Å; L124-F130 HydrophobicContact CB-CD2 3.83Å; L124-F130 HydrophobicContact CB-CE1 4.22Å; L124-F130 HydrophobicContact CB-CE2 3.81Å; L124-F130 HydrophobicContact CB-CG 4.05Å; L124-F130 HydrophobicContact CB-CZ 4Å; L124-F130 HydrophobicContact CD1-CE2 4.01Å; L124-F130 HydrophobicContact CD1-CZ 4.29Å; L124-F130 HydrophobicContact CG-CE2 4.49Å; L124-F130 WeakPolarHBondContact O-CB 3.36Å; L124-W141 HydrophobicContact CD1-CD2 3.65Å; L124-W141 HydrophobicContact CD1-CE3 3.8Å; L124-W141 HydrophobicContact CD1-CG 4.23Å; L124-W141 HydrophobicContact CD1-CH2 3.93Å; L124-W141 HydrophobicContact CD1-CZ2 3.8Å; L124-W141 HydrophobicContact CD1-CZ3 3.95Å
125S96.7Very high94.6Very high51 Ų5154.8 Ų54.836%0.35731%0.309SS..THydrogen-bonded Turntrans-70.5-7.4179.7-59.80000114.2T121 E122 F123 S127 F130T121-S125 WeakPolarHBondContact O-CB 3.27Å; T121-S125 PolarHBondContact O-N 3.25Å; T121-S125 PolarHBondContact O-OG 2.91Å; E122-S125 WeakPolarHBondContact O-CB 3.35Å; E122-S125 PolarHBondContact O-N 2.82Å; E122-S125 VanDerWaalsContact O-N 3.11Å; F123-S125 VanDerWaalsContact C-N 3.26Å; F123-S125 PolarHBondContact O-N 2.83Å; S125-S127 PolarHBondContact O-N 2.89Å; S125-F130 WeakPolarHBondContact OG-CD1 3.48Å; S125-F130 WeakPolarHBondContact OG-CE1 3.43Å
126L96.6Very high94.4Very high39 Ų3955 Ų5520%0.20432%0.318CS..THydrogen-bonded Turntrans-67.3-21.6169.1-61.4-179.2000112.7F72 K75 A76 N79 F81 E122 F123 L124F72-L126 HydrophobicContact CE2-CB 4.08Å; F72-L126 HydrophobicContact CZ-CB 4.09Å; K75-L126 HydrophobicContact CD-CB 4.23Å; A76-L126 HydrophobicContact CB-CD1 3.99Å; N79-L126 HydrophobicContact CB-CD1 3.89Å; N79-L126 HydrophobicContact CB-CD2 3.63Å; N79-L126 HydrophobicContact CB-CG 4.44Å; F81-L126 HydrophobicContact CD2-CD1 3.93Å; F81-L126 HydrophobicContact CE2-CD1 3.73Å; F81-L126 HydrophobicContact CE2-CG 4.28Å; E122-L126 PolarHBondContact O-N 3.32Å; F123-L126 VanDerWaalsContact O-CB 3.32Å; F123-L126 WeakPolarHBondContact O-CB 3.1Å; F123-L126 VanDerWaalsContact O-CG 3.3Å; F123-L126 WeakPolarHBondContact O-CG 3.24Å; F123-L126 PolarHBondContact O-N 3.05Å; L124-L126 PolarHBondContact O-N 3.27Å
127S95.3Very high94.5Very high1 Ų150.3 Ų50.31%0.00729%0.293CS..SBendtrans-83.8130.5170.3179.50000110.1E67 L124 S125 E129 F130E67-S127 WeakPolarHBondContact CG-OG 3.34Å; E67-S127 WeakPolarHBondContact OE1-CA 3.47Å; E67-S127 WeakPolarHBondContact OE1-CB 3.39Å; E67-S127 PolarHBondContact OE1-OG 3.04Å; L124-S127 PolarHBondContact O-N 3.03Å; L124-S127 VanDerWaalsContact O-N 3.16Å; S125-S127 PolarHBondContact O-N 2.89Å; S127-E129 PolarHBondContact O-N 2.94Å; S127-E129 PolarHBondContact OG-N 3.35Å; S127-E129 VanDerWaalsContact OG-N 3.15Å; S127-F130 WeakPolarHBondContact O-CB 3.16Å; S127-F130 PolarHBondContact O-N 3.44Å
128S93.7Very high94.5Very high87 Ų8752.4 Ų52.461%0.60830%0.298SS*.Hα-helixtrans-60.4-32.5169.848.10000111.7F130 S131 N132S128-F130 VanDerWaalsContact C-N 3.28Å; S128-F130 PolarHBondContact O-N 3.29Å; S128-S131 PolarHBondContact O-N 3.48Å; S128-N132 PolarHBondContact O-N 3.36Å
129E94.3Very high94.5Very high56 Ų5649.9 Ų49.926%0.26229%0.294SS..Hα-helixtrans-68.5-26.9-179.8-59.3-49.3134.100112.8L66 S127 S131 N132 A135 L137L66-E129 HydrophobicContact CB-CB 4.42Å; L66-E129 HydrophobicContact CB-CG 4.16Å; L66-E129 HydrophobicContact CD1-CB 3.92Å; L66-E129 HydrophobicContact CD1-CG 4.14Å; S127-E129 PolarHBondContact O-N 2.94Å; S127-E129 PolarHBondContact OG-N 3.35Å; S127-E129 VanDerWaalsContact OG-N 3.15Å; E129-S131 VanDerWaalsContact C-N 3.27Å; E129-S131 PolarHBondContact O-N 3.17Å; E129-N132 WeakPolarHBondContact O-CB 3.42Å; E129-N132 PolarHBondContact O-N 2.93Å; E129-N132 PolarHBondContact OE2-ND2 3.26Å; E129-A135 WeakPolarHBondContact O-CB 3.31Å; E129-L137 HydrophobicContact CB-CD1 4.26Å
130F95.9Very high94.5Very high1 Ų147.7 Ų47.70%0.00429%0.286CS..Hα-helixtrans-60.9-40.7175.5-175.5-111.5000111.7F59 F63 T121 L124 S125 S127 S128 L137 K138 W141F59-F130 HydrophobicContact CE2-CD2 4.35Å; F59-F130 HydrophobicContact CE2-CE2 4.01Å; F59-F130 HydrophobicContact CZ-CD2 4.39Å; F59-F130 HydrophobicContact CZ-CE2 4.07Å; F63-F130 HydrophobicContact CE2-CB 4.27Å; F63-F130 HydrophobicContact CE2-CD2 4.4Å; T121-F130 HydrophobicContact CG2-CE1 4.13Å; T121-F130 HydrophobicContact CG2-CZ 4.28Å; L124-F130 HydrophobicContact CB-CD1 4.25Å; L124-F130 HydrophobicContact CB-CD2 3.83Å; L124-F130 HydrophobicContact CB-CE1 4.22Å; L124-F130 HydrophobicContact CB-CE2 3.81Å; L124-F130 HydrophobicContact CB-CG 4.05Å; L124-F130 HydrophobicContact CB-CZ 4Å; L124-F130 HydrophobicContact CD1-CE2 4.01Å; L124-F130 HydrophobicContact CD1-CZ 4.29Å; L124-F130 HydrophobicContact CG-CE2 4.49Å; L124-F130 WeakPolarHBondContact O-CB 3.36Å; S125-F130 WeakPolarHBondContact OG-CD1 3.48Å; S125-F130 WeakPolarHBondContact OG-CE1 3.43Å; S127-F130 WeakPolarHBondContact O-CB 3.16Å; S127-F130 PolarHBondContact O-N 3.44Å; S128-F130 VanDerWaalsContact C-N 3.28Å; S128-F130 PolarHBondContact O-N 3.29Å; F130-L137 HydrophobicContact CD2-CB 4.03Å; F130-K138 HydrophobicContact CE1-CB 4.26Å; F130-K138 HydrophobicContact CE1-CD 4.47Å; F130-K138 HydrophobicContact CE1-CG 4.22Å; F130-K138 HydrophobicContact CE2-CB 4.35Å; F130-K138 HydrophobicContact CZ-CB 4.18Å; F130-K138 HydrophobicContact CZ-CG 4.3Å; F130-K138 WeakPolarHBondContact O-CB 3.19Å; F130-K138 PolarHBondContact O-N 3.15Å; F130-W141 HydrophobicContact CE2-CB 3.85Å; F130-W141 HydrophobicContact CE2-CG 4.06Å; F130-W141 HydrophobicContact CZ-CB 4.09Å; F130-W141 AromaticContact CZ-CD1 3.79Å; F130-W141 HydrophobicContact CZ-CG 4.01Å
131S91.6Very high94.5Very high70 Ų7047.9 Ų47.949%0.4929%0.287SS..Hα-helixtrans-86.6-8.4178.7-67.30000113.6S128 E129 S133S128-S131 PolarHBondContact O-N 3.48Å; E129-S131 VanDerWaalsContact C-N 3.27Å; E129-S131 PolarHBondContact O-N 3.17Å; S131-S133 PolarHBondContact O-N 3.04Å
132N92Very high94.5Very high52 Ų5252.9 Ų52.928%0.27831%0.305SS..  trans-68.9117.9175.7-175.7-3.6000110S128 E129 E134 A135 G136S128-N132 PolarHBondContact O-N 3.36Å; E129-N132 WeakPolarHBondContact O-CB 3.42Å; E129-N132 PolarHBondContact O-N 2.93Å; E129-N132 PolarHBondContact OE2-ND2 3.26Å; N132-E134 PolarHBondContact O-N 3.21Å; N132-E134 WeakPolarHBondContact OD1-CB 3.36Å; N132-E134 PolarHBondContact OD1-N 3.12Å; N132-A135 HydrophobicContact CB-CB 4.15Å; N132-A135 PolarHBondContact O-N 2.97Å; N132-G136 PolarHBondContact O-N 3.47Å
133S87.8Confident94.4Very high110 Ų11052 Ų5277%0.76930%0.301SS*.THydrogen-bonded Turntrans-64.3-29.8179.450.60000112.9S131 G136S131-S133 PolarHBondContact O-N 3.04Å; S133-G136 PolarHBondContact O-N 2.91Å
134E87Confident94.4Very high177 Ų17752.2 Ų52.283%0.82730%0.302SS*.THydrogen-bonded Turntrans-69.5-34.5178.8-63.7-175.3171.100111.8N132 G136N132-E134 PolarHBondContact O-N 3.21Å; N132-E134 WeakPolarHBondContact OD1-CB 3.36Å; N132-E134 PolarHBondContact OD1-N 3.12Å; E134-G136 VanDerWaalsContact C-N 3.25Å; E134-G136 PolarHBondContact O-N 3.4Å
135A84.8Confident94.5Very high25 Ų2552.4 Ų52.421%0.20730%0.304CS..THydrogen-bonded Turntrans-71.1-21.3175.800000112.7L66 E129 N132 L137L66-A135 HydrophobicContact CD1-CB 4.17Å; E129-A135 WeakPolarHBondContact O-CB 3.31Å; N132-A135 HydrophobicContact CB-CB 4.15Å; N132-A135 PolarHBondContact O-N 2.97Å; A135-L137 HydrophobicContact CB-CD1 4.21Å; A135-L137 HydrophobicContact CB-CG 4.2Å; A135-L137 PolarHBondContact O-N 2.88Å
136G93.2Very high94.5Very high30 Ų3052.9 Ų52.931%0.30931%0.306SS..  trans66.10.5177.900000115.6N132 S133 E134 K138 A139 L140N132-G136 PolarHBondContact O-N 3.47Å; S133-G136 PolarHBondContact O-N 2.91Å; E134-G136 VanDerWaalsContact C-N 3.25Å; E134-G136 PolarHBondContact O-N 3.4Å; G136-K138 PolarHBondContact O-N 3.48Å; G136-A139 PolarHBondContact O-N 2.84Å; G136-A139 VanDerWaalsContact O-N 3.15Å; G136-L140 PolarHBondContact O-N 3.38Å
137L97.2Very high94.5Very high1 Ų151.6 Ų51.61%0.00530%0.301CS..Hα-helixtrans-58.5-46.9-172.1-74.3171.1000113.1F59 R62 F63 L66 E129 F130 A135 A139 L140 W141F59-L137 HydrophobicContact CD2-CD2 4.05Å; F59-L137 HydrophobicContact CE2-CB 4.25Å; F59-L137 HydrophobicContact CE2-CD2 4.02Å; R62-L137 HydrophobicContact CB-CD2 3.73Å; F63-L137 HydrophobicContact CB-CD2 4.11Å; F63-L137 HydrophobicContact CD2-CD1 3.97Å; L66-L137 HydrophobicContact CD1-CD1 4.1Å; E129-L137 HydrophobicContact CB-CD1 4.26Å; F130-L137 HydrophobicContact CD2-CB 4.03Å; A135-L137 HydrophobicContact CB-CD1 4.21Å; A135-L137 HydrophobicContact CB-CG 4.2Å; A135-L137 PolarHBondContact O-N 2.88Å; L137-A139 VanDerWaalsContact C-N 3.33Å; L137-A139 PolarHBondContact O-N 3.45Å; L137-L140 PolarHBondContact O-N 2.98Å; L137-W141 WeakPolarHBondContact O-CB 3.43Å; L137-W141 PolarHBondContact O-N 3.39Å
138K97.3Very high94.6Very high89 Ų8951.6 Ų51.639%0.38730%0.301SS..Hα-helixtrans-66.5-32.9178.3-178.9173.5-166.3168.70113.5F130 G136 K142F130-K138 HydrophobicContact CE1-CB 4.26Å; F130-K138 HydrophobicContact CE1-CD 4.47Å; F130-K138 HydrophobicContact CE1-CG 4.22Å; F130-K138 HydrophobicContact CE2-CB 4.35Å; F130-K138 HydrophobicContact CZ-CB 4.18Å; F130-K138 HydrophobicContact CZ-CG 4.3Å; F130-K138 WeakPolarHBondContact O-CB 3.19Å; F130-K138 PolarHBondContact O-N 3.15Å; G136-K138 PolarHBondContact O-N 3.48Å; K138-K142 WeakPolarHBondContact O-CB 3.5Å; K138-K142 VanDerWaalsContact O-CG 3.29Å; K138-K142 WeakPolarHBondContact O-CG 3.42Å; K138-K142 PolarHBondContact O-N 3.35Å; K138-K142 VanDerWaalsContact O-N 3.14Å
139A97Very high94.8Very high68 Ų6849.3 Ų49.356%0.56228%0.279SS*.Hα-helixtrans-69.4-46.8175.600000110.4G136 L137 W141 K142 E143G136-A139 PolarHBondContact O-N 2.84Å; G136-A139 VanDerWaalsContact O-N 3.15Å; L137-A139 VanDerWaalsContact C-N 3.33Å; L137-A139 PolarHBondContact O-N 3.45Å; A139-W141 PolarHBondContact O-N 3.17Å; A139-K142 PolarHBondContact O-N 3.39Å; A139-E143 PolarHBondContact O-N 3.31Å
140L97.4Very high94.9Very high6 Ų646.9 Ų46.93%0.03127%0.268CS..Hα-helixtrans-60.4-45.5175.7-179.258.5000111.7L58 F59 G136 L137 K142 E143 I144 W713L58-L140 HydrophobicContact CB-CD2 4.43Å; F59-L140 HydrophobicContact CB-CD2 3.8Å; F59-L140 HydrophobicContact CB-CG 4.19Å; F59-L140 HydrophobicContact CD2-CD2 4.3Å; F59-L140 HydrophobicContact CD2-CG 4.35Å; G136-L140 PolarHBondContact O-N 3.38Å; L137-L140 PolarHBondContact O-N 2.98Å; L140-K142 PolarHBondContact O-N 3.05Å; L140-E143 WeakPolarHBondContact O-CB 3.34Å; L140-E143 PolarHBondContact O-N 3.08Å; L140-E143 VanDerWaalsContact O-N 3.14Å; L140-I144 HydrophobicContact CD1-CG2 3.97Å; L140-I144 WeakPolarHBondContact O-CG1 3.47Å; L140-I144 PolarHBondContact O-N 2.68Å; L140-W713 HydrophobicContact CD1-CH2 3.56Å; L140-W713 HydrophobicContact CD1-CZ3 3.67Å
141W97.9Very high94.9Very high7 Ų749.7 Ų49.73%0.02728%0.283CS..Hα-helixtrans-57.3-47.2176.6180-110000112.5F59 F93 V117 V120 T121 L124 F130 L137 A139 E143 I144 A145 M148F59-W141 HydrophobicContact CD1-CE3 4.01Å; F59-W141 HydrophobicContact CD1-CZ3 4.29Å; F59-W141 HydrophobicContact CD2-CB 4.27Å; F59-W141 HydrophobicContact CD2-CE3 4.45Å; F59-W141 AromaticContact CE1-CE3 3.68Å; F59-W141 HydrophobicContact CE1-CE3 3.68Å; F59-W141 AromaticContact CE1-CZ3 3.97Å; F59-W141 HydrophobicContact CE1-CZ3 3.97Å; F59-W141 HydrophobicContact CE2-CB 3.81Å; F59-W141 HydrophobicContact CE2-CE3 4.16Å; F59-W141 HydrophobicContact CE2-CG 4.49Å; F59-W141 HydrophobicContact CG-CE3 4.39Å; F59-W141 HydrophobicContact CZ-CB 4.36Å; F59-W141 HydrophobicContact CZ-CD2 4.31Å; F59-W141 AromaticContact CZ-CE3 3.78Å; F59-W141 HydrophobicContact CZ-CE3 3.78Å; F59-W141 HydrophobicContact CZ-CZ3 4.46Å; F93-W141 HydrophobicContact CE1-CZ3 4.47Å; F93-W141 HydrophobicContact CZ-CZ3 4.5Å; V117-W141 HydrophobicContact CG2-CZ2 4.38Å; V120-W141 HydrophobicContact CB-CH2 4.4Å; V120-W141 HydrophobicContact CB-CZ2 4.13Å; V120-W141 HydrophobicContact CG1-CH2 3.59Å; V120-W141 HydrophobicContact CG1-CZ2 3.7Å; T121-W141 PolarHBondContact OG1-NE1 2.98Å; L124-W141 HydrophobicContact CD1-CD2 3.65Å; L124-W141 HydrophobicContact CD1-CE3 3.8Å; L124-W141 HydrophobicContact CD1-CG 4.23Å; L124-W141 HydrophobicContact CD1-CH2 3.93Å; L124-W141 HydrophobicContact CD1-CZ2 3.8Å; L124-W141 HydrophobicContact CD1-CZ3 3.95Å; F130-W141 HydrophobicContact CE2-CB 3.85Å; F130-W141 HydrophobicContact CE2-CG 4.06Å; F130-W141 HydrophobicContact CZ-CB 4.09Å; F130-W141 AromaticContact CZ-CD1 3.79Å; F130-W141 HydrophobicContact CZ-CG 4.01Å; L137-W141 WeakPolarHBondContact O-CB 3.43Å; L137-W141 PolarHBondContact O-N 3.39Å; A139-W141 PolarHBondContact O-N 3.17Å; W141-E143 PolarHBondContact O-N 3.43Å; W141-I144 HydrophobicContact CE3-CD1 4.31Å; W141-I144 HydrophobicContact CE3-CG1 4.42Å; W141-I144 PolarHBondContact O-N 2.88Å; W141-A145 HydrophobicContact CD2-CB 4.17Å; W141-A145 HydrophobicContact CZ2-CB 4.19Å; W141-A145 WeakPolarHBondContact O-CB 3.3Å; W141-A145 PolarHBondContact O-N 3.24Å; W141-M148 HydrophobicContact CH2-CE 3.26Å; W141-M148 HydrophobicContact CH2-SD 4.23Å; W141-M148 HydrophobicContact CZ2-CE 4.05Å; W141-M148 HydrophobicContact CZ3-CE 3.66Å; W141-M148 HydrophobicContact CZ3-SD 4.07Å
142K97Very high95Very high142 Ų14248.4 Ų48.462%0.61727%0.271SS*.Hα-helixtrans-60.8-31.3177.7-78.4178.5176.1-171.70113.1K138 A139 L140 P146K138-K142 WeakPolarHBondContact O-CB 3.5Å; K138-K142 VanDerWaalsContact O-CG 3.29Å; K138-K142 WeakPolarHBondContact O-CG 3.42Å; K138-K142 PolarHBondContact O-N 3.35Å; K138-K142 VanDerWaalsContact O-N 3.14Å; A139-K142 PolarHBondContact O-N 3.39Å; L140-K142 PolarHBondContact O-N 3.05Å; K142-P146 VanDerWaalsContact O-CD 3.27Å; K142-P146 WeakPolarHBondContact O-CD 3.45Å
143E96Very high95.1Very high81 Ų8150.4 Ų50.438%0.37929%0.286SS..Hα-helixtrans-74.9-45.5178.3-176.1-179.418000111.9A139 L140 W141 R714A139-E143 PolarHBondContact O-N 3.31Å; L140-E143 WeakPolarHBondContact O-CB 3.34Å; L140-E143 PolarHBondContact O-N 3.08Å; L140-E143 VanDerWaalsContact O-N 3.14Å; W141-E143 PolarHBondContact O-N 3.43Å; E143-R714 IonicContact OE1-CZ 2.83Å; E143-R714 IonicContact OE1-NH1 3.11Å; E143-R714 PolarHBondContact OE1-NH1 2.73Å; E143-R714 IonicContact OE2-CZ 3.35Å; E143-R714 VanDerWaalsContact OE2-CZ 3.25Å; E143-R714 IonicContact OE2-NH1 2.77Å; E143-R714 PolarHBondContact OE2-NH1 3.15Å; E143-R714 IonicContact OE2-NH2 2.68Å; E143-R714 PolarHBondContact OE2-NH2 2.77Å
144I97.5Very high95.3Very high3 Ų347 Ų472%0.01526%0.257CS..Hα-helixtrans-86.7-32.8-172.767.6-179.2000113.4I56 F59 L140 W141 A147 M148 W713I56-I144 HydrophobicContact CG1-CD1 4.16Å; F59-I144 HydrophobicContact CB-CD1 3.64Å; F59-I144 HydrophobicContact CG-CD1 3.98Å; L140-I144 HydrophobicContact CD1-CG2 3.97Å; L140-I144 WeakPolarHBondContact O-CG1 3.47Å; L140-I144 PolarHBondContact O-N 2.68Å; W141-I144 HydrophobicContact CE3-CD1 4.31Å; W141-I144 HydrophobicContact CE3-CG1 4.42Å; W141-I144 PolarHBondContact O-N 2.88Å; I144-A147 PolarHBondContact O-N 3.38Å; I144-A147 VanDerWaalsContact O-N 3.14Å; I144-M148 WeakPolarHBondContact O-CB 3.4Å; I144-M148 PolarHBondContact O-N 2.85Å; I144-W713 HydrophobicContact CG2-CH2 3.84Å; I144-W713 HydrophobicContact CG2-CZ2 4.01Å
145A97.9Very high95.7Very high4 Ų439.1 Ų39.13%0.03322%0.219CC..Hα-helixtrans-58.1-40.5-172.300000113.7V117 W141 A147 M148 Y149V117-A145 HydrophobicContact CG2-CB 4.08Å; W141-A145 HydrophobicContact CD2-CB 4.17Å; W141-A145 HydrophobicContact CZ2-CB 4.19Å; W141-A145 WeakPolarHBondContact O-CB 3.3Å; W141-A145 PolarHBondContact O-N 3.24Å; A145-A147 PolarHBondContact O-N 3.35Å; A145-M148 HydrophobicContact CB-CE 4.47Å; A145-M148 WeakPolarHBondContact O-CB 3.37Å; A145-M148 PolarHBondContact O-N 3.11Å; A145-Y149 WeakPolarHBondContact O-CD2 3.48Å; A145-Y149 PolarHBondContact O-N 3.33Å
146P97.5Very high96.1Very high62 Ų6239.3 Ų39.340%0.40322%0.216SC..Hα-helixtrans-58-45.6175.3-26.836.5000113.2K142 S150 L725K142-P146 VanDerWaalsContact O-CD 3.27Å; K142-P146 WeakPolarHBondContact O-CD 3.45Å; P146-S150 WeakPolarHBondContact O-CB 3.46Å; P146-S150 PolarHBondContact O-N 2.98Å; P146-S150 VanDerWaalsContact O-N 3.08Å; P146-L725 HydrophobicContact CB-CD1 3.83Å
147A97Very high96.1Very high12 Ų1241.9 Ų41.910%0.09922%0.217CC..Hα-helixtrans-68.3-40.1175.900000111.7E52 K110 I144 A145 Y149 S150 L725E52-A147 HydrophobicContact CB-CB 3.81Å; E52-A147 HydrophobicContact CG-CB 4.04Å; K110-A147 PolarHBondContact NZ-O 3.03Å; I144-A147 PolarHBondContact O-N 3.38Å; I144-A147 VanDerWaalsContact O-N 3.14Å; A145-A147 PolarHBondContact O-N 3.35Å; A147-Y149 PolarHBondContact O-N 3.2Å; A147-S150 PolarHBondContact O-N 2.98Å; A147-L725 VanDerWaalsContact CA-CD2 3.44Å; A147-L725 HydrophobicContact CB-CD2 3.77Å
148M97.2Very high95.9Very high0 Ų042.8 Ų42.80%022%0.222CC..Hα-helixtrans-57.6-44.5178.2-166.5-178.666.200112.4I56 Y92 K110 I112 P113 W141 I144 A145I56-M148 HydrophobicContact CD1-CB 4.27Å; I56-M148 HydrophobicContact CD1-CG 3.86Å; I56-M148 HydrophobicContact CD1-SD 4.4Å; I56-M148 HydrophobicContact CG1-CG 4.33Å; I56-M148 HydrophobicContact CG1-SD 4.31Å; Y92-M148 HydrophobicContact CE1-CG 4.02Å; Y92-M148 HydrophobicContact CE1-SD 3.52Å; Y92-M148 VanDerWaalsContact CE1-SD 3.52Å; Y92-M148 WeakPolarHBondContact OH-CG 3.47Å; K110-M148 WeakPolarHBondContact CE-O 3.49Å; I112-M148 VanDerWaalsContact CG2-O 3.3Å; I112-M148 WeakPolarHBondContact CG2-O 3.44Å; P113-M148 HydrophobicContact CG-CE 3.94Å; P113-M148 HydrophobicContact CG-SD 4.45Å; W141-M148 HydrophobicContact CH2-CE 3.26Å; W141-M148 HydrophobicContact CH2-SD 4.23Å; W141-M148 HydrophobicContact CZ2-CE 4.05Å; W141-M148 HydrophobicContact CZ3-CE 3.66Å; W141-M148 HydrophobicContact CZ3-SD 4.07Å; I144-M148 WeakPolarHBondContact O-CB 3.4Å; I144-M148 PolarHBondContact O-N 2.85Å; A145-M148 HydrophobicContact CB-CE 4.47Å; A145-M148 WeakPolarHBondContact O-CB 3.37Å; A145-M148 PolarHBondContact O-N 3.11Å
149Y97.4Very high95.6Very high40 Ų4038.7 Ų38.716%0.15721%0.205CC..Hα-helixtrans-89.7-7.9-179.3-80.9-84.9000114.9I112 P113 I115 V117 V120 A145 A147 L151I112-Y149 HydrophobicContact CD1-CD1 4.45Å; P113-Y149 HydrophobicContact CB-CE1 3.89Å; P113-Y149 WeakPolarHBondContact CB-OH 3.49Å; P113-Y149 HydrophobicContact CG-CE1 3.88Å; P113-Y149 HydrophobicContact CG-CE2 4.06Å; I115-Y149 VanDerWaalsContact O-CE1 3.25Å; I115-Y149 WeakPolarHBondContact O-CE1 3.12Å; I115-Y149 PolarHBondContact O-OH 3.2Å; V117-Y149 HydrophobicContact CB-CD2 3.78Å; V117-Y149 HydrophobicContact CB-CE1 4.37Å; V117-Y149 HydrophobicContact CB-CE2 3.51Å; V117-Y149 HydrophobicContact CB-CG 4.31Å; V117-Y149 HydrophobicContact CG2-CD2 3.83Å; V117-Y149 HydrophobicContact CG2-CE2 3.62Å; V120-Y149 WeakPolarHBondContact CG2-OH 3.48Å; A145-Y149 WeakPolarHBondContact O-CD2 3.48Å; A145-Y149 PolarHBondContact O-N 3.33Å; A147-Y149 PolarHBondContact O-N 3.2Å; Y149-L151 PolarHBondContact O-N 2.94Å
150S96.3Very high95.3Very high5 Ų536.4 Ų36.44%0.03518%0.183CC..  trans-61.1123.6-177.8173.20000112.4K110 P146 A147 N152 R155 L725K110-S150 WeakPolarHBondContact CE-O 3.42Å; K110-S150 PolarHBondContact NZ-O 3.26Å; P146-S150 WeakPolarHBondContact O-CB 3.46Å; P146-S150 PolarHBondContact O-N 2.98Å; P146-S150 VanDerWaalsContact O-N 3.08Å; A147-S150 PolarHBondContact O-N 2.98Å; S150-N152 WeakPolarHBondContact OG-CB 3.46Å; S150-N152 PolarHBondContact OG-N 3.5Å; S150-R155 VanDerWaalsContact OG-CD 3.25Å; S150-R155 WeakPolarHBondContact OG-CD 3.43Å; S150-L725 WeakPolarHBondContact CB-OXT 3.4Å; S150-L725 VanDerWaalsContact OG-C 3.31Å; S150-L725 PolarHBondContact OG-OXT 3.12Å
151L95.3Very high94.7Very high60 Ų6036.7 Ų36.731%0.31419%0.186SC..  trans-105.122.6169.7-65.3178.6000111.9Y4 I112 Y149 L156Y4-L151 HydrophobicContact CD2-CD2 4.46Å; Y4-L151 HydrophobicContact CG-CD2 4.36Å; I112-L151 HydrophobicContact CD1-CD1 4.01Å; I112-L151 HydrophobicContact CD1-CD2 3.9Å; I112-L151 HydrophobicContact CD1-CG 4Å; I112-L151 HydrophobicContact CG1-CD2 4.36Å; I112-L151 HydrophobicContact CG2-CD2 4.05Å; Y149-L151 PolarHBondContact O-N 2.94Å; L151-L156 HydrophobicContact CB-CD2 4.34Å; L151-L156 HydrophobicContact CD2-CD2 4.03Å
152N95.1Very high94.3Very high43 Ų4341 Ų4123%0.2322%0.215CC..  trans-56.6135173.3-166.8-71.9000109.6S150 R154 R155 P724 L725S150-N152 WeakPolarHBondContact OG-CB 3.46Å; S150-N152 PolarHBondContact OG-N 3.5Å; N152-R154 PolarHBondContact O-N 3.44Å; N152-R154 PolarHBondContact OD1-N 2.69Å; N152-R155 PolarHBondContact O-N 3.2Å; N152-P724 VanDerWaalsContact ND2-CB 3.34Å; N152-P724 WeakPolarHBondContact ND2-CB 3.18Å; N152-L725 PolarHBondContact ND2-O 3.09Å
153P92.7Very high93.9Very high93 Ų9338.9 Ų38.960%0.60421%0.214SC*.G310 helixtrans-48.3-37.4-177.9-31.636.3000114.2R155 L156P153-R155 PolarHBondContact O-N 3.42Å; P153-R155 VanDerWaalsContact O-N 3.16Å; P153-L156 PolarHBondContact O-N 3.37Å
154R93.8Very high93.7Very high40 Ų4037.1 Ų37.115%0.15121%0.206CC..G310 helixtrans-63.1-19.8178.9-167.6172.5176.5-177.8-1.1114.5N152 P162 T163 E164 I165 E171 I723N152-R154 PolarHBondContact O-N 3.44Å; N152-R154 PolarHBondContact OD1-N 2.69Å; R154-P162 VanDerWaalsContact CD-O 3.27Å; R154-P162 WeakPolarHBondContact CD-O 3.37Å; R154-P162 WeakPolarHBondContact CG-O 3.15Å; R154-T163 VanDerWaalsContact CA-O 3.29Å; R154-T163 WeakPolarHBondContact CA-O 3.38Å; R154-E164 WeakPolarHBondContact CG-O 3.01Å; R154-E164 CarbonylContact O-C 3.55Å; R154-E164 WeakPolarHBondContact O-CA 3.44Å; R154-I165 WeakPolarHBondContact O-CB 3.23Å; R154-I165 PolarHBondContact O-N 3.2Å; R154-E171 PolarHBondContact NH2-O 2.95Å; R154-I723 HydrophobicContact CG-CG2 4.32Å
155R94.7Very high93.6Very high11 Ų1137 Ų374%0.04221%0.206CC..G310 helixtrans-107.25.4-177.2-68.6176.2171.4-89.50.6113.3E52 Y103 K110 S150 N152 P153 I165 I723 P724E52-R155 IonicContact OE1-NH1 3.33Å; E52-R155 PolarHBondContact OE1-NH1 3.23Å; E52-R155 IonicContact OE2-NH1 2.74Å; E52-R155 PolarHBondContact OE2-NH1 3.26Å; Y103-R155 WeakPolarHBondContact CE1-O 3.3Å; Y103-R155 PolarHBondContact OH-O 3.14Å; K110-R155 WeakPolarHBondContact CB-O 3.39Å; K110-R155 HydrophobicContact CD-CB 4.36Å; K110-R155 WeakPolarHBondContact CD-O 3.31Å; S150-R155 VanDerWaalsContact OG-CD 3.25Å; S150-R155 WeakPolarHBondContact OG-CD 3.43Å; N152-R155 PolarHBondContact O-N 3.2Å; P153-R155 PolarHBondContact O-N 3.42Å; P153-R155 VanDerWaalsContact O-N 3.16Å; R155-I165 HydrophobicContact CG-CD1 4.4Å; R155-I723 HydrophobicContact CG-CG2 4.06Å; R155-P724 WeakPolarHBondContact CD-O 3.31Å; R155-P724 PolarHBondContact NE-O 2.94Å
156L93.7Very high93.5Very high28 Ų2837.4 Ų37.415%0.14721%0.208CC..SBendtrans-80.9-24.9-174.2-64.1-179.3000113.2Y4 K110 L151 P153Y4-L156 HydrophobicContact CD1-CD2 4.2Å; Y4-L156 HydrophobicContact CD2-CD2 3.94Å; Y4-L156 HydrophobicContact CE1-CB 3.88Å; Y4-L156 HydrophobicContact CE1-CD2 4.14Å; Y4-L156 HydrophobicContact CE1-CG 4.43Å; Y4-L156 HydrophobicContact CE2-CD1 3.85Å; Y4-L156 HydrophobicContact CE2-CD2 3.87Å; Y4-L156 HydrophobicContact CE2-CG 4.29Å; Y4-L156 HydrophobicContact CG-CD2 4.11Å; K110-L156 PolarHBondContact N-O 3Å; L151-L156 HydrophobicContact CB-CD2 4.34Å; L151-L156 HydrophobicContact CD2-CD2 4.03Å; P153-L156 PolarHBondContact O-N 3.37Å
157R92.8Very high93.5Very high84 Ų8434.5 Ų34.532%0.31719%0.189SC..BIsolated β-bridgetrans-143.2150.2-175.3-63.7-171.5-66.1-146.6-8.9111.7D108 T109 E164 I165D108-R157 WeakPolarHBondContact O-CA 3.37Å; T109-R157 HydrophobicContact CG2-CG 4.35Å; R157-E164 HydrophobicContact CB-CG 4.4Å; R157-E164 IonicContact CZ-OE1 3.65Å; R157-E164 IonicContact NE-OE1 2.74Å; R157-E164 PolarHBondContact NE-OE1 2.93Å; R157-E164 IonicContact NH2-OE1 2.89Å; R157-E164 PolarHBondContact NH2-OE1 3.46Å; R157-I165 WeakPolarHBondContact O-CG2 3.14Å; R157-I165 PolarHBondContact O-N 2.87Å
158L92.9Very high93.6Very high20 Ų2034 Ų3411%0.10518%0.184CC..BIsolated β-bridgetrans-73.7137.2166.3-55.8-175.9000110.6Y103 D108 I165Y103-L158 HydrophobicContact CD1-CD2 3.51Å; Y103-L158 HydrophobicContact CD1-CG 3.67Å; Y103-L158 HydrophobicContact CD2-CD2 4.08Å; Y103-L158 HydrophobicContact CE1-CD2 3.67Å; Y103-L158 HydrophobicContact CE1-CG 4.22Å; Y103-L158 HydrophobicContact CE2-CD2 4.24Å; Y103-L158 HydrophobicContact CG-CD1 4.49Å; Y103-L158 HydrophobicContact CG-CD2 3.74Å; Y103-L158 HydrophobicContact CG-CG 4Å; D108-L158 HydrophobicContact CB-CB 4Å; D108-L158 HydrophobicContact CB-CD1 4.28Å; D108-L158 HydrophobicContact CB-CG 4.18Å; D108-L158 PolarHBondContact O-N 3.48Å; L158-I165 CarbonylContact C-O 3.55Å; L158-I165 WeakPolarHBondContact CA-O 3.37Å; L158-I165 HydrophobicContact CD2-CG2 4.22Å
159G91.4Very high93.6Very high4 Ų434 Ų344%0.04119%0.185CC..SBendtrans167.1-175.9-174.600000113.1E164 I165 T166G159-E164 WeakPolarHBondContact CA-OE2 3.03Å; G159-I165 PolarHBondContact N-O 3.18Å; G159-I165 CarbonylContact O-C 3.46Å; G159-I165 PolarHBondContact O-N 3.37Å; G159-T166 WeakPolarHBondContact O-CB 3.19Å; G159-T166 VanDerWaalsContact O-CG2 3.32Å; G159-T166 WeakPolarHBondContact O-CG2 3.24Å
160F90.2Very high93.5Very high20 Ų2032.3 Ų32.39%0.08818%0.178CC..  trans-76.4146.1177.4-79.6-69.3000112.2E164 Y169 R175 A178 P310 L311F160-E164 PolarHBondContact O-N 2.72Å; F160-Y169 HydrophobicContact CD1-CD2 4.49Å; F160-Y169 HydrophobicContact CE1-CD1 4.09Å; F160-Y169 AromaticContact CE1-CD2 3.81Å; F160-Y169 HydrophobicContact CE1-CD2 3.81Å; F160-Y169 AromaticContact CE1-CE1 3.99Å; F160-Y169 HydrophobicContact CE1-CE1 3.99Å; F160-Y169 AromaticContact CE1-CE2 3.67Å; F160-Y169 HydrophobicContact CE1-CE2 3.67Å; F160-Y169 HydrophobicContact CE1-CG 4.03Å; F160-Y169 AromaticContact CE1-CZ 3.79Å; F160-Y169 HydrophobicContact CZ-CD2 4.45Å; F160-Y169 HydrophobicContact CZ-CE1 4.27Å; F160-Y169 AromaticContact CZ-CE2 3.86Å; F160-Y169 HydrophobicContact CZ-CE2 3.86Å; F160-Y169 AromaticContact CZ-CZ 3.77Å; F160-R175 HydrophobicContact CD2-CB 3.81Å; F160-R175 HydrophobicContact CD2-CG 4.1Å; F160-R175 HydrophobicContact CE2-CB 4.09Å; F160-R175 HydrophobicContact CE2-CG 4.01Å; F160-R175 HydrophobicContact CG-CB 4.05Å; F160-A178 HydrophobicContact CE1-CB 3.66Å; F160-A178 HydrophobicContact CZ-CB 3.53Å; F160-P310 HydrophobicContact CD2-CB 3.59Å; F160-P310 HydrophobicContact CE2-CB 3.55Å; F160-P310 HydrophobicContact CG-CB 4.16Å; F160-P310 HydrophobicContact CZ-CB 4.06Å; F160-L311 HydrophobicContact CE2-CB 4.25Å; F160-L311 HydrophobicContact CZ-CB 4.01Å
161G85.5Confident93.4Very high11 Ų1133.4 Ų33.411%0.11318%0.183CC..THydrogen-bonded Turntrans-62160.4164.300000111.6
162P88.4Confident93.2Very high97 Ų9733.3 Ų33.363%0.6318%0.183SC*.THydrogen-bonded Turncis-88.7-2.65.435.1-36000114.6R154R154-P162 VanDerWaalsContact CD-O 3.27Å; R154-P162 WeakPolarHBondContact CD-O 3.37Å; R154-P162 WeakPolarHBondContact CG-O 3.15Å
163T88.2Confident93.1Very high98 Ų9831.4 Ų31.460%0.60117%0.173SC*.THydrogen-bonded Turntrans-95-18.3-171.7480000114.3R154R154-T163 VanDerWaalsContact CA-O 3.29Å; R154-T163 WeakPolarHBondContact CA-O 3.38Å
164E92.9Very high93.2Very high44 Ų4430.5 Ų30.521%0.20616%0.162CC..SBendtrans-135.6-176.8-176.6-62.4177.9147.400109.7R154 R157 G159 F160R154-E164 WeakPolarHBondContact CG-O 3.01Å; R154-E164 CarbonylContact O-C 3.55Å; R154-E164 WeakPolarHBondContact O-CA 3.44Å; R157-E164 HydrophobicContact CB-CG 4.4Å; R157-E164 IonicContact CZ-OE1 3.65Å; R157-E164 IonicContact NE-OE1 2.74Å; R157-E164 PolarHBondContact NE-OE1 2.93Å; R157-E164 IonicContact NH2-OE1 2.89Å; R157-E164 PolarHBondContact NH2-OE1 3.46Å; G159-E164 WeakPolarHBondContact CA-OE2 3.03Å; F160-E164 PolarHBondContact O-N 2.72Å
165I95Very high93.2Very high2 Ų235 Ų351%0.0118%0.179CC..BIsolated β-bridgetrans-130.5145.7-175.9-174.2169.8000111.7P51 Y103 R154 R155 R157 L158 G159 I723P51-I165 HydrophobicContact CG-CD1 3.98Å; Y103-I165 HydrophobicContact CE1-CG2 4.09Å; Y103-I165 VanDerWaalsContact OH-CG2 3.23Å; Y103-I165 WeakPolarHBondContact OH-CG2 3.29Å; R154-I165 WeakPolarHBondContact O-CB 3.23Å; R154-I165 PolarHBondContact O-N 3.2Å; R155-I165 HydrophobicContact CG-CD1 4.4Å; R157-I165 WeakPolarHBondContact O-CG2 3.14Å; R157-I165 PolarHBondContact O-N 2.87Å; L158-I165 CarbonylContact C-O 3.55Å; L158-I165 WeakPolarHBondContact CA-O 3.37Å; L158-I165 HydrophobicContact CD2-CG2 4.22Å; G159-I165 PolarHBondContact N-O 3.18Å; G159-I165 CarbonylContact O-C 3.46Å; G159-I165 PolarHBondContact O-N 3.37Å; I165-I723 HydrophobicContact CD1-CD1 3.62Å; I165-I723 HydrophobicContact CD1-CG2 4.2Å; I165-I723 HydrophobicContact CG1-CD1 3.8Å
166T96.3Very high93.1Very high12 Ų1237.5 Ų37.57%0.07420%0.198CC..  trans-153.8157.1172.2178.60000107.7G159 Y168 Y169 P310 F720G159-T166 WeakPolarHBondContact O-CB 3.19Å; G159-T166 VanDerWaalsContact O-CG2 3.32Å; G159-T166 WeakPolarHBondContact O-CG2 3.24Å; T166-Y168 PolarHBondContact OG1-N 3.31Å; T166-Y169 HydrophobicContact CG2-CD2 3.6Å; T166-Y169 HydrophobicContact CG2-CG 4.34Å; T166-P310 HydrophobicContact CG2-CG 4.21Å; T166-F720 WeakPolarHBondContact O-CE1 3.33Å
167S97.3Very high93.1Very high1 Ų136.7 Ų36.71%0.00719%0.194CC..SBendtrans-116.94.3174.555.10000113I47 Q48 T49 R196I47-S167 VanDerWaalsContact O-CB 3.24Å; I47-S167 WeakPolarHBondContact O-CB 3.28Å; I47-S167 PolarHBondContact O-OG 3.37Å; Q48-S167 WeakPolarHBondContact CA-OG 3.27Å; Q48-S167 PolarHBondContact O-OG 2.93Å; T49-S167 PolarHBondContact N-OG 2.88Å; T49-S167 PolarHBondContact O-OG 2.88Å; S167-R196 WeakPolarHBondContact O-CD 3.38Å; S167-R196 PolarHBondContact O-NH1 3.09Å
168Y97.7Very high93Very high1 Ų132.7 Ų32.70%0.00418%0.179CC..SBendtrans-69.9-22.2162.6-72.7-79.4000112.3Q48 T166 R196 L197 R308 D309 R314 E316Q48-Y168 HydrophobicContact CB-CE1 4.47Å; Q48-Y168 HydrophobicContact CB-CE2 4.48Å; Q48-Y168 HydrophobicContact CG-CE1 4.33Å; T166-Y168 PolarHBondContact OG1-N 3.31Å; Y168-R196 WeakPolarHBondContact O-CA 3.42Å; Y168-R196 WeakPolarHBondContact O-CB 3.29Å; Y168-L197 PolarHBondContact O-N 2.97Å; Y168-R308 HydrophobicContact CE2-CB 4.39Å; Y168-D309 HydrophobicContact CD2-CB 4.38Å; Y168-D309 HydrophobicContact CE2-CB 4.48Å; Y168-D309 HydrophobicContact CG-CB 4.48Å; Y168-R314 HydrophobicContact CD1-CB 3.64Å; Y168-R314 HydrophobicContact CD1-CG 4.46Å; Y168-R314 HydrophobicContact CE1-CB 3.92Å; Y168-R314 HydrophobicContact CG-CB 4.48Å; Y168-E316 VanDerWaalsContact OH-CA 3.28Å; Y168-E316 WeakPolarHBondContact OH-CA 3.23Å; Y168-E316 WeakPolarHBondContact OH-CB 3.49Å; Y168-E316 PolarHBondContact OH-N 2.85Å
169Y97.2Very high93Very high1 Ų135.4 Ų35.40%0.00419%0.191CC..BIsolated β-bridgetrans-129.9149.3179.8-49.3-96.4000110.4F160 T166 C173 A178 L197 D309 L311 R314 F720F160-Y169 HydrophobicContact CD1-CD2 4.49Å; F160-Y169 HydrophobicContact CE1-CD1 4.09Å; F160-Y169 AromaticContact CE1-CD2 3.81Å; F160-Y169 HydrophobicContact CE1-CD2 3.81Å; F160-Y169 AromaticContact CE1-CE1 3.99Å; F160-Y169 HydrophobicContact CE1-CE1 3.99Å; F160-Y169 AromaticContact CE1-CE2 3.67Å; F160-Y169 HydrophobicContact CE1-CE2 3.67Å; F160-Y169 HydrophobicContact CE1-CG 4.03Å; F160-Y169 AromaticContact CE1-CZ 3.79Å; F160-Y169 HydrophobicContact CZ-CD2 4.45Å; F160-Y169 HydrophobicContact CZ-CE1 4.27Å; F160-Y169 AromaticContact CZ-CE2 3.86Å; F160-Y169 HydrophobicContact CZ-CE2 3.86Å; F160-Y169 AromaticContact CZ-CZ 3.77Å; T166-Y169 HydrophobicContact CG2-CD2 3.6Å; T166-Y169 HydrophobicContact CG2-CG 4.34Å; Y169-C173 HydrophobicContact CD1-CB 4.42Å; Y169-C173 HydrophobicContact CG-CB 4.42Å; Y169-A178 HydrophobicContact CD1-CB 4.08Å; Y169-A178 HydrophobicContact CE1-CB 3.39Å; Y169-L197 WeakPolarHBondContact CA-O 3.29Å; Y169-L197 HydrophobicContact CD1-CB 3.72Å; Y169-L197 HydrophobicContact CD1-CD2 3.99Å; Y169-L197 HydrophobicContact CD1-CG 4.2Å; Y169-L197 HydrophobicContact CE1-CB 4.07Å; Y169-L197 HydrophobicContact CE1-CD2 4.16Å; Y169-D309 WeakPolarHBondContact CE2-OD1 3.41Å; Y169-D309 VanDerWaalsContact CZ-OD1 3.31Å; Y169-D309 PolarHBondContact OH-OD1 3.12Å; Y169-D309 PolarHBondContact OH-OD2 3.03Å; Y169-L311 VanDerWaalsContact OH-CB 3.26Å; Y169-L311 WeakPolarHBondContact OH-CB 3.16Å; Y169-R314 PolarHBondContact OH-NH1 2.86Å; Y169-F720 VanDerWaalsContact O-CE1 3.29Å; Y169-F720 WeakPolarHBondContact O-CE1 3.45Å
170S96.1Very high93Very high3 Ų336.4 Ų36.42%0.02120%0.195CC..  trans-63.1157.2169.156.90000111.5D172 C173 L197 K199S170-D172 WeakPolarHBondContact CB-OD1 3.1Å; S170-D172 PolarHBondContact O-N 2.9Å; S170-D172 PolarHBondContact OG-OD1 3.39Å; S170-C173 WeakPolarHBondContact O-CB 3.47Å; S170-C173 PolarHBondContact O-N 2.92Å; S170-C173 PolarHBondContact OG-SG 2.79Å; S170-C173 VanDerWaalsContact OG-SG 3.41Å; S170-L197 PolarHBondContact N-O 2.83Å; S170-L197 VanDerWaalsContact N-O 3.12Å; S170-K199 PolarHBondContact OG-N 2.98Å
171E94Very high93.2Very high29 Ų2935.5 Ų35.514%0.13619%0.191CC..THydrogen-bonded Turntrans-58.7-22.4-172.773.9-175.7177.600115R154 Y719 F720 K721 N722 I723R154-E171 PolarHBondContact NH2-O 2.95Å; E171-Y719 VanDerWaalsContact CB-O 3.29Å; E171-Y719 WeakPolarHBondContact CB-O 3.46Å; E171-Y719 WeakPolarHBondContact CG-O 3.01Å; E171-Y719 PolarHBondContact N-O 3.2Å; E171-Y719 VanDerWaalsContact N-O 3.14Å; E171-F720 HydrophobicContact CB-CD1 4.33Å; E171-F720 WeakPolarHBondContact OE2-CA 3.43Å; E171-K721 PolarHBondContact OE2-N 2.78Å; E171-N722 VanDerWaalsContact OE1-CB 3.25Å; E171-N722 WeakPolarHBondContact OE1-CB 3.47Å; E171-N722 PolarHBondContact OE1-ND2 3.36Å; E171-N722 WeakPolarHBondContact OE2-CA 3.5Å; E171-N722 PolarHBondContact OE2-N 2.85Å; E171-I723 HydrophobicContact CB-CD1 4.02Å; E171-I723 HydrophobicContact CB-CG1 3.82Å; E171-I723 WeakPolarHBondContact OE2-CG1 3.24Å; E171-I723 PolarHBondContact OE2-N 3.37Å; E171-I723 VanDerWaalsContact OE2-N 3.12Å
172D91.7Very high93.4Very high58 Ų5836.1 Ų36.131%0.3119%0.191SC..THydrogen-bonded Turntrans-91.7-12.4-177.565.2-27.8000112.6S170 K199S170-D172 WeakPolarHBondContact CB-OD1 3.1Å; S170-D172 PolarHBondContact O-N 2.9Å; S170-D172 PolarHBondContact OG-OD1 3.39Å; D172-K199 WeakPolarHBondContact O-CE 3.36Å; D172-K199 PolarHBondContact O-NZ 3.13Å; D172-K199 WeakPolarHBondContact OD2-CE 3.48Å; D172-K199 WeakPolarHBondContact OD2-CG 3.32Å
173C93.5Very high93.6Very high3 Ų337.3 Ų37.32%0.0219%0.186CC..  trans-70.4128.4173.8-77.70000111.5Y169 S170 D177 K199Y169-C173 HydrophobicContact CD1-CB 4.42Å; Y169-C173 HydrophobicContact CG-CB 4.42Å; S170-C173 WeakPolarHBondContact O-CB 3.47Å; S170-C173 PolarHBondContact O-N 2.92Å; S170-C173 PolarHBondContact OG-SG 2.79Å; S170-C173 VanDerWaalsContact OG-SG 3.41Å; C173-D177 WeakPolarHBondContact CA-OD2 3.45Å; C173-K199 VanDerWaalsContact SG-CB 3.58Å
174I93Very high93.9Very high73 Ų7333.6 Ų33.637%0.37416%0.162SC..  trans-109.7169.817260168.4000110.4S176 D177 A178I174-S176 VanDerWaalsContact C-N 3.26Å; I174-S176 WeakPolarHBondContact CD1-OG 3.28Å; I174-S176 WeakPolarHBondContact CG1-OG 3.47Å; I174-S176 PolarHBondContact O-N 2.97Å; I174-S176 VanDerWaalsContact O-N 3.15Å; I174-D177 WeakPolarHBondContact CG1-OD2 3.24Å; I174-D177 PolarHBondContact N-OD2 3.11Å; I174-D177 VanDerWaalsContact O-CB 3.29Å; I174-D177 WeakPolarHBondContact O-CB 3.45Å; I174-D177 PolarHBondContact O-N 3.17Å; I174-A178 PolarHBondContact O-N 3.29Å
175R93.7Very high93.9Very high135 Ų13531.6 Ų31.651%0.50915%0.152SC..Hα-helixtrans-49.8-43.5-179-175.9176.7-179.6124.96113.7F160 D177 A178 E179F160-R175 HydrophobicContact CD2-CB 3.81Å; F160-R175 HydrophobicContact CD2-CG 4.1Å; F160-R175 HydrophobicContact CE2-CB 4.09Å; F160-R175 HydrophobicContact CE2-CG 4.01Å; F160-R175 HydrophobicContact CG-CB 4.05Å; R175-D177 VanDerWaalsContact C-N 3.27Å; R175-D177 PolarHBondContact O-N 3.33Å; R175-A178 WeakPolarHBondContact O-CB 3.22Å; R175-A178 PolarHBondContact O-N 3.11Å; R175-A178 VanDerWaalsContact O-N 3.13Å; R175-E179 HydrophobicContact CG-CG 4.29Å; R175-E179 WeakPolarHBondContact CG-OE1 3.34Å; R175-E179 IonicContact CZ-OE1 3.83Å; R175-E179 IonicContact NE-OE1 2.77Å; R175-E179 PolarHBondContact NE-OE1 3.25Å; R175-E179 IonicContact NH2-OE1 2.87Å; R175-E179 WeakPolarHBondContact O-CG 3.23Å; R175-E179 PolarHBondContact O-N 3.04Å
176S92.7Very high93.6Very high63 Ų6337.2 Ų37.244%0.44118%0.178SC..Hα-helixtrans-65.7-27.9179.861.60000113.6I174 L180I174-S176 VanDerWaalsContact C-N 3.26Å; I174-S176 WeakPolarHBondContact CD1-OG 3.28Å; I174-S176 WeakPolarHBondContact CG1-OG 3.47Å; I174-S176 PolarHBondContact O-N 2.97Å; I174-S176 VanDerWaalsContact O-N 3.15Å; S176-L180 VanDerWaalsContact O-CB 3.31Å; S176-L180 WeakPolarHBondContact O-CB 3.37Å; S176-L180 PolarHBondContact O-N 3.02Å; S176-L180 VanDerWaalsContact O-N 3.09Å
177D93.5Very high93.2Very high12 Ų1242.1 Ų42.16%0.06420%0.204CC..Hα-helixtrans-67.9-44.8172.8-65.6-47.6000110.2C173 I174 R175 L180 V181 K199 Y208C173-D177 WeakPolarHBondContact CA-OD2 3.45Å; I174-D177 WeakPolarHBondContact CG1-OD2 3.24Å; I174-D177 PolarHBondContact N-OD2 3.11Å; I174-D177 VanDerWaalsContact O-CB 3.29Å; I174-D177 WeakPolarHBondContact O-CB 3.45Å; I174-D177 PolarHBondContact O-N 3.17Å; R175-D177 VanDerWaalsContact C-N 3.27Å; R175-D177 PolarHBondContact O-N 3.33Å; D177-L180 PolarHBondContact O-N 2.98Å; D177-V181 PolarHBondContact O-N 3.38Å; D177-V181 VanDerWaalsContact O-N 3.11Å; D177-K199 IonicContact OD1-NZ 3.67Å; D177-K199 IonicContact OD2-NZ 2.81Å; D177-K199 PolarHBondContact OD2-NZ 2.85Å; D177-Y208 HydrophobicContact CB-CE1 3.81Å; D177-Y208 WeakPolarHBondContact OD1-CE1 3.15Å; D177-Y208 PolarHBondContact OD1-OH 3.3Å
178A91.8Very high92.9Very high0 Ų044.9 Ų44.90%022%0.221CC..Hα-helixtrans-64.3-45.2178.900000111.9F160 Y169 I174 R175 L180 V181 Q182 L311F160-A178 HydrophobicContact CE1-CB 3.66Å; F160-A178 HydrophobicContact CZ-CB 3.53Å; Y169-A178 HydrophobicContact CD1-CB 4.08Å; Y169-A178 HydrophobicContact CE1-CB 3.39Å; I174-A178 PolarHBondContact O-N 3.29Å; R175-A178 WeakPolarHBondContact O-CB 3.22Å; R175-A178 PolarHBondContact O-N 3.11Å; R175-A178 VanDerWaalsContact O-N 3.13Å; A178-L180 VanDerWaalsContact C-N 3.34Å; A178-L180 PolarHBondContact O-N 3.16Å; A178-V181 PolarHBondContact O-N 2.83Å; A178-Q182 VanDerWaalsContact O-CB 3.32Å; A178-Q182 WeakPolarHBondContact O-CB 3.36Å; A178-Q182 PolarHBondContact O-N 2.97Å; A178-L311 HydrophobicContact CB-CD2 3.87Å
179E91.8Very high92.4Very high77 Ų7753.8 Ų53.836%0.3626%0.26SS..Hα-helixtrans-63-37.4175.9-71.1172172.700112.3R175 Q182 K183 L311R175-E179 HydrophobicContact CG-CG 4.29Å; R175-E179 WeakPolarHBondContact CG-OE1 3.34Å; R175-E179 IonicContact CZ-OE1 3.83Å; R175-E179 IonicContact NE-OE1 2.77Å; R175-E179 PolarHBondContact NE-OE1 3.25Å; R175-E179 IonicContact NH2-OE1 2.87Å; R175-E179 WeakPolarHBondContact O-CG 3.23Å; R175-E179 PolarHBondContact O-N 3.04Å; E179-Q182 PolarHBondContact O-N 2.94Å; E179-K183 WeakPolarHBondContact O-CG 3.1Å; E179-K183 PolarHBondContact O-N 3.45Å; E179-K183 VanDerWaalsContact O-N 3.17Å; E179-L311 HydrophobicContact CG-CD1 4.11Å
180L93Very high91.9Very high25 Ų2556.2 Ų56.213%0.13128%0.275CS..Hα-helixtrans-62.5-48175.2172.263.3000111.5S176 D177 A178 Q182 K183 Y208 F224 L227 P228S176-L180 VanDerWaalsContact O-CB 3.31Å; S176-L180 WeakPolarHBondContact O-CB 3.37Å; S176-L180 PolarHBondContact O-N 3.02Å; S176-L180 VanDerWaalsContact O-N 3.09Å; D177-L180 PolarHBondContact O-N 2.98Å; A178-L180 VanDerWaalsContact C-N 3.34Å; A178-L180 PolarHBondContact O-N 3.16Å; L180-Q182 VanDerWaalsContact C-N 3.32Å; L180-K183 PolarHBondContact O-N 2.81Å; L180-Y208 HydrophobicContact CD2-CE2 4.29Å; L180-F224 HydrophobicContact CD1-CE1 4.06Å; L180-L227 HydrophobicContact CD2-CD2 4.16Å; L180-L227 HydrophobicContact CG-CD2 4.47Å; L180-P228 HydrophobicContact CD2-CG 4.23Å
181V93.7Very high91.7Very high1 Ų159 Ų591%0.00629%0.288CS..Hα-helixtrans-68.9-33.8178.8171.20000111.4D177 A178 K183 Y184 L185 L197 Y208 I210 L233D177-V181 PolarHBondContact O-N 3.38Å; D177-V181 VanDerWaalsContact O-N 3.11Å; A178-V181 PolarHBondContact O-N 2.83Å; V181-K183 VanDerWaalsContact C-N 3.32Å; V181-K183 PolarHBondContact O-N 3.35Å; V181-Y184 WeakPolarHBondContact O-CB 3.23Å; V181-Y184 PolarHBondContact O-N 3.48Å; V181-Y184 VanDerWaalsContact O-N 3.1Å; V181-L185 PolarHBondContact O-N 3.09Å; V181-L197 HydrophobicContact CB-CD1 4.41Å; V181-L197 HydrophobicContact CB-CD2 3.85Å; V181-L197 HydrophobicContact CG1-CD1 4.19Å; V181-L197 HydrophobicContact CG1-CD2 4.21Å; V181-L197 HydrophobicContact CG2-CD1 3.83Å; V181-L197 HydrophobicContact CG2-CD2 3.72Å; V181-L197 HydrophobicContact CG2-CG 4.45Å; V181-Y208 HydrophobicContact CG2-CD1 4.32Å; V181-Y208 HydrophobicContact CG2-CG 4.29Å; V181-I210 HydrophobicContact CG1-CD1 3.58Å; V181-I210 HydrophobicContact CG1-CG1 3.68Å; V181-L233 HydrophobicContact CG2-CD1 4.16Å
182Q90.7Very high91.7Very high24 Ų2457.8 Ų57.811%0.11228%0.282CS..Hα-helixtrans-62.6-39.7176.8-17256.431.700111.9A178 E179 L180 Y184 L185 E186 L311A178-Q182 VanDerWaalsContact O-CB 3.32Å; A178-Q182 WeakPolarHBondContact O-CB 3.36Å; A178-Q182 PolarHBondContact O-N 2.97Å; E179-Q182 PolarHBondContact O-N 2.94Å; L180-Q182 VanDerWaalsContact C-N 3.32Å; Q182-Y184 PolarHBondContact O-N 2.93Å; Q182-L185 WeakPolarHBondContact O-CB 3.43Å; Q182-L185 PolarHBondContact O-N 2.85Å; Q182-L185 VanDerWaalsContact O-N 3.08Å; Q182-E186 WeakPolarHBondContact O-CG 3.15Å; Q182-E186 PolarHBondContact O-N 2.82Å; Q182-L311 HydrophobicContact CB-CD2 4.05Å; Q182-L311 HydrophobicContact CG-CD2 4.33Å
183K92.1Very high91.9Very high121 Ų12156.7 Ų56.753%0.52627%0.274SS..Hα-helixtrans-59.2-33.3173.4-70.2171.2-177.8176.90113.2E179 L180 V181 N187 F224E179-K183 WeakPolarHBondContact O-CG 3.1Å; E179-K183 PolarHBondContact O-N 3.45Å; E179-K183 VanDerWaalsContact O-N 3.17Å; L180-K183 PolarHBondContact O-N 2.81Å; V181-K183 VanDerWaalsContact C-N 3.32Å; V181-K183 PolarHBondContact O-N 3.35Å; K183-N187 WeakPolarHBondContact O-CB 3.26Å; K183-N187 PolarHBondContact O-N 2.7Å; K183-F224 HydrophobicContact CB-CE1 4.29Å; K183-F224 HydrophobicContact CB-CZ 3.81Å
184Y94.4Very high92.1Very high21 Ų2156.8 Ų56.88%0.08227%0.274CS..Hα-helixtrans-65.8-48.6173.5167-97.6000111.1V181 Q182 E186 N187 V188 I210 A222 F224 L233 L235V181-Y184 WeakPolarHBondContact O-CB 3.23Å; V181-Y184 PolarHBondContact O-N 3.48Å; V181-Y184 VanDerWaalsContact O-N 3.1Å; Q182-Y184 PolarHBondContact O-N 2.93Å; Y184-E186 VanDerWaalsContact C-N 3.32Å; Y184-E186 PolarHBondContact O-N 3.24Å; Y184-N187 WeakPolarHBondContact O-CB 3.46Å; Y184-N187 PolarHBondContact O-N 3.27Å; Y184-N187 VanDerWaalsContact O-N 3.12Å; Y184-V188 HydrophobicContact CD2-CG1 4.31Å; Y184-V188 HydrophobicContact CE1-CG1 4.44Å; Y184-V188 HydrophobicContact CE1-CG2 4.16Å; Y184-V188 HydrophobicContact CE2-CG1 3.76Å; Y184-V188 WeakPolarHBondContact O-CG2 3.11Å; Y184-V188 PolarHBondContact O-N 2.93Å; Y184-I210 HydrophobicContact CD1-CD1 3.71Å; Y184-I210 HydrophobicContact CE1-CD1 3.92Å; Y184-A222 HydrophobicContact CE1-CB 4.45Å; Y184-A222 HydrophobicContact CE2-CB 4.15Å; Y184-A222 WeakPolarHBondContact OH-CB 3.14Å; Y184-F224 HydrophobicContact CD2-CB 3.68Å; Y184-F224 HydrophobicContact CD2-CD1 4.41Å; Y184-F224 AromaticContact CD2-CD2 3.93Å; Y184-F224 HydrophobicContact CD2-CD2 3.93Å; Y184-F224 AromaticContact CD2-CG 3.78Å; Y184-F224 HydrophobicContact CD2-CG 3.78Å; Y184-F224 HydrophobicContact CE2-CB 4.37Å; Y184-F224 HydrophobicContact CG-CB 4.47Å; Y184-F224 HydrophobicContact CG-CG 4.31Å; Y184-L233 HydrophobicContact CD1-CD2 3.54Å; Y184-L233 HydrophobicContact CD2-CD2 3.71Å; Y184-L233 HydrophobicContact CE1-CD2 3.87Å; Y184-L233 HydrophobicContact CE2-CD2 4.01Å; Y184-L233 HydrophobicContact CG-CD2 3.43Å; Y184-L233 VanDerWaalsContact CG-CD2 3.43Å; Y184-L235 HydrophobicContact CE1-CD2 3.86Å
185L91.9Very high92.3Very high2 Ų253.4 Ų53.41%0.0126%0.257CS..Hα-helixtrans-60-41.3179.3-72177.8000112.1V181 Q182 V188 K189 T190 A192 I210V181-L185 PolarHBondContact O-N 3.09Å; Q182-L185 WeakPolarHBondContact O-CB 3.43Å; Q182-L185 PolarHBondContact O-N 2.85Å; Q182-L185 VanDerWaalsContact O-N 3.08Å; L185-V188 CarbonylContact O-C 3.56Å; L185-V188 WeakPolarHBondContact O-CG2 3.36Å; L185-V188 PolarHBondContact O-N 2.73Å; L185-K189 PolarHBondContact O-N 3.24Å; L185-T190 WeakPolarHBondContact CB-O 3.39Å; L185-T190 PolarHBondContact O-N 3.28Å; L185-A192 HydrophobicContact CD1-CB 3.68Å; L185-I210 HydrophobicContact CD2-CD1 3.94Å; L185-I210 HydrophobicContact CG-CD1 4.18Å
186E88.3Confident92.6Very high119 Ų11947.1 Ų47.156%0.55623%0.233SC*.Hα-helixtrans-60.1-45.8172.1-70.5165-176.600111.9Q182 Y184 V188 K189Q182-E186 WeakPolarHBondContact O-CG 3.15Å; Q182-E186 PolarHBondContact O-N 2.82Å; Y184-E186 VanDerWaalsContact C-N 3.32Å; Y184-E186 PolarHBondContact O-N 3.24Å; E186-V188 VanDerWaalsContact C-N 3.3Å; E186-V188 PolarHBondContact O-N 2.75Å; E186-K189 PolarHBondContact O-N 3.49Å
187N89.3Confident92.8Very high115 Ų11544.1 Ų44.162%0.61521%0.212SC*.Hα-helixtrans-63.4-34.9179.9-179.572.8000112.7K183 Y184 K189 F224K183-N187 WeakPolarHBondContact O-CB 3.26Å; K183-N187 PolarHBondContact O-N 2.7Å; Y184-N187 WeakPolarHBondContact O-CB 3.46Å; Y184-N187 PolarHBondContact O-N 3.27Å; Y184-N187 VanDerWaalsContact O-N 3.12Å; N187-K189 VanDerWaalsContact C-N 3.34Å; N187-F224 HydrophobicContact CB-CE2 4.46Å
188V90.1Very high93Very high60 Ų6043.6 Ų43.636%0.36421%0.21SC..THydrogen-bonded Turntrans-90.42.6175.2-55.80000113.5Y184 L185 E186Y184-V188 HydrophobicContact CD2-CG1 4.31Å; Y184-V188 HydrophobicContact CE1-CG1 4.44Å; Y184-V188 HydrophobicContact CE1-CG2 4.16Å; Y184-V188 HydrophobicContact CE2-CG1 3.76Å; Y184-V188 WeakPolarHBondContact O-CG2 3.11Å; Y184-V188 PolarHBondContact O-N 2.93Å; L185-V188 CarbonylContact O-C 3.56Å; L185-V188 WeakPolarHBondContact O-CG2 3.36Å; L185-V188 PolarHBondContact O-N 2.73Å; E186-V188 VanDerWaalsContact C-N 3.3Å; E186-V188 PolarHBondContact O-N 2.75Å
189K87.4Confident93.1Very high187 Ų18744.8 Ų44.881%0.81322%0.215SC*.THydrogen-bonded Turntrans56.249.4178.5-53.5-179.3-179.3-177.10112.9L185 E186 N187L185-K189 PolarHBondContact O-N 3.24Å; E186-K189 PolarHBondContact O-N 3.49Å; N187-K189 VanDerWaalsContact C-N 3.34Å
190T88Confident93Very high53 Ų5343.5 Ų43.533%0.32522%0.215SC..  trans-128.3130.5178.8-58.50000109.8L185L185-T190 WeakPolarHBondContact CB-O 3.39Å; L185-T190 PolarHBondContact O-N 3.28Å
191E90.3Very high92.5Very high62 Ų6246.3 Ų46.329%0.2924%0.236SC..  trans-73.8156.2176.1-58.187.8163.300112Y193 L279 K283E191-Y193 HydrophobicContact CB-CD2 4.34Å; E191-Y193 HydrophobicContact CB-CE2 4.45Å; E191-Y193 HydrophobicContact CB-CG 4.44Å; E191-L279 HydrophobicContact CB-CD1 3.99Å; E191-L279 WeakPolarHBondContact O-CD1 3.11Å; E191-K283 IonicContact OE1-NZ 2.94Å; E191-K283 PolarHBondContact OE1-NZ 3.35Å; E191-K283 IonicContact OE2-NZ 3.45Å; E191-K283 PolarHBondContact OE2-NZ 3.29Å
192A93.7Very high91.5Very high2 Ų250.5 Ų50.52%0.01726%0.259CS..  trans-93.34.5-174.800000114.3L185 N194 T195 V313 R314L185-A192 HydrophobicContact CD1-CB 3.68Å; A192-N194 PolarHBondContact O-N 3.37Å; A192-T195 WeakPolarHBondContact O-CB 3.34Å; A192-T195 PolarHBondContact O-N 3.17Å; A192-T195 PolarHBondContact O-OG1 2.99Å; A192-V313 CarbonylContact C-O 3.16Å; A192-V313 HydrophobicContact CB-CB 4.17Å; A192-V313 HydrophobicContact CB-CG2 3.98Å; A192-V313 WeakPolarHBondContact CB-O 3.25Å; A192-R314 HydrophobicContact CB-CG 4.09Å
193Y95.8Very high90.4Very high35 Ų3555.1 Ų55.114%0.13729%0.293CS..THydrogen-bonded Turntrans-50.9-48.9-165.1-67.2-24.5000114.6E191 T195 T306 V313 A315 Y384E191-Y193 HydrophobicContact CB-CD2 4.34Å; E191-Y193 HydrophobicContact CB-CE2 4.45Å; E191-Y193 HydrophobicContact CB-CG 4.44Å; Y193-T195 VanDerWaalsContact C-N 3.33Å; Y193-T195 PolarHBondContact O-N 2.82Å; Y193-T306 HydrophobicContact CD1-CG2 3.66Å; Y193-T306 HydrophobicContact CE1-CG2 3.55Å; Y193-V313 WeakPolarHBondContact CD1-O 3.42Å; Y193-A315 HydrophobicContact CD1-CB 4.13Å; Y193-A315 HydrophobicContact CG-CB 4.27Å; Y193-A315 PolarHBondContact O-N 3.39Å; Y193-Y384 HydrophobicContact CD2-CD1 4.34Å; Y193-Y384 AromaticContact CD2-CE1 3.53Å; Y193-Y384 HydrophobicContact CD2-CE1 3.53Å; Y193-Y384 AromaticContact CE2-CD1 3.75Å; Y193-Y384 HydrophobicContact CE2-CD1 3.75Å; Y193-Y384 AromaticContact CE2-CE1 3.4Å; Y193-Y384 HydrophobicContact CE2-CE1 3.4Å; Y193-Y384 VanDerWaalsContact CE2-CE1 3.4Å
194N98.1Very high89.5Confident5 Ų556.6 Ų56.63%0.02731%0.307CS..THydrogen-bonded Turntrans-95.928.9-178.471.1-21.8000113.1A192 A213 G277 L279 F303A192-N194 PolarHBondContact O-N 3.37Å; N194-A213 HydrophobicContact CB-CB 4.22Å; N194-A213 WeakPolarHBondContact O-CB 3.44Å; N194-A213 PolarHBondContact O-N 2.82Å; N194-G277 PolarHBondContact ND2-O 3.15Å; N194-L279 HydrophobicContact CB-CD2 4.05Å; N194-F303 HydrophobicContact CB-CB 4.35Å; N194-F303 HydrophobicContact CB-CD2 3.53Å; N194-F303 HydrophobicContact CB-CE2 3.95Å; N194-F303 HydrophobicContact CB-CG 3.96Å
195T98.4Very high89Confident3 Ų357.4 Ų57.42%0.01832%0.316CS..EExtended strand (participates in β ladder)trans-119.9153.1-175.377.20000114.4A192 Y193 I210 R211 F212 R314A192-T195 WeakPolarHBondContact O-CB 3.34Å; A192-T195 PolarHBondContact O-N 3.17Å; A192-T195 PolarHBondContact O-OG1 2.99Å; Y193-T195 VanDerWaalsContact C-N 3.33Å; Y193-T195 PolarHBondContact O-N 2.82Å; T195-I210 HydrophobicContact CG2-CG2 3.94Å; T195-R211 CarbonylContact C-O 3.52Å; T195-R211 WeakPolarHBondContact CA-O 3.33Å; T195-F212 HydrophobicContact CG2-CD1 3.73Å; T195-F212 HydrophobicContact CG2-CE1 3.64Å; T195-F212 HydrophobicContact CG2-CG 4.27Å; T195-F212 HydrophobicContact CG2-CZ 4.1Å; T195-R314 WeakPolarHBondContact O-CD 3.48Å; T195-R314 VanDerWaalsContact O-CG 3.26Å; T195-R314 WeakPolarHBondContact O-CG 3.25Å
196R98.4Very high89Confident2 Ų262 Ų621%0.00834%0.336CS..EExtended strand (participates in β ladder)trans-122163.9160.8-70.5-162.5-69.2171.71110.9S167 Y168 F198 R211 D239 Y240 D716S167-R196 WeakPolarHBondContact O-CD 3.38Å; S167-R196 PolarHBondContact O-NH1 3.09Å; Y168-R196 WeakPolarHBondContact O-CA 3.42Å; Y168-R196 WeakPolarHBondContact O-CB 3.29Å; R196-F198 HydrophobicContact CB-CD2 4.2Å; R196-F198 HydrophobicContact CB-CE2 3.69Å; R196-R211 HydrophobicContact CB-CB 4.42Å; R196-R211 PolarHBondContact N-O 2.75Å; R196-R211 PolarHBondContact O-N 3.18Å; R196-D239 IonicContact CZ-OD1 2.85Å; R196-D239 IonicContact CZ-OD2 2.75Å; R196-D239 IonicContact NE-OD1 3.62Å; R196-D239 IonicContact NE-OD2 3.37Å; R196-D239 PolarHBondContact NE-OD2 3.27Å; R196-D239 IonicContact NH2-OD1 2.97Å; R196-D239 PolarHBondContact NH2-OD1 3.17Å; R196-D239 IonicContact NH2-OD2 3.67Å; R196-D239 PolarHBondContact NH2-OD2 3.35Å; R196-Y240 WeakPolarHBondContact CD-OH 3.45Å; R196-Y240 PolarHBondContact NE-OH 2.79Å; R196-D716 IonicContact CZ-OD2 3.89Å; R196-D716 IonicContact NH1-OD2 3.88Å; R196-D716 PolarHBondContact NH1-OD2 3.42Å; R196-D716 VanDerWaalsContact NH1-OD2 3.07Å; R196-D716 IonicContact NH2-OD1 3.85Å; R196-D716 IonicContact NH2-OD2 3.52Å; R196-D716 PolarHBondContact NH2-OD2 2.9Å
197L97.9Very high89.3Confident0 Ų057.2 Ų57.20%032%0.315CS..EExtended strand (participates in β ladder)trans-122.8115.1179.4173.360.1000112.1Y168 Y169 S170 V181 Y208Y168-L197 PolarHBondContact O-N 2.97Å; Y169-L197 WeakPolarHBondContact CA-O 3.29Å; Y169-L197 HydrophobicContact CD1-CB 3.72Å; Y169-L197 HydrophobicContact CD1-CD2 3.99Å; Y169-L197 HydrophobicContact CD1-CG 4.2Å; Y169-L197 HydrophobicContact CE1-CB 4.07Å; Y169-L197 HydrophobicContact CE1-CD2 4.16Å; S170-L197 PolarHBondContact N-O 2.83Å; S170-L197 VanDerWaalsContact N-O 3.12Å; V181-L197 HydrophobicContact CB-CD1 4.41Å; V181-L197 HydrophobicContact CB-CD2 3.85Å; V181-L197 HydrophobicContact CG1-CD1 4.19Å; V181-L197 HydrophobicContact CG1-CD2 4.21Å; V181-L197 HydrophobicContact CG2-CD1 3.83Å; V181-L197 HydrophobicContact CG2-CD2 3.72Å; V181-L197 HydrophobicContact CG2-CG 4.45Å; L197-Y208 HydrophobicContact CD1-CD1 4.28Å
198F97.1Very high89.7Confident2 Ų252 Ų521%0.00929%0.287CS..EExtended strand (participates in β ladder)trans-110.6136.5177.5-72.7-102.9000110.5R196 Y208 S209 R211 Y719R196-F198 HydrophobicContact CB-CD2 4.2Å; R196-F198 HydrophobicContact CB-CE2 3.69Å; F198-Y208 CarbonylContact O-C 3.48Å; F198-Y208 WeakPolarHBondContact O-CA 3.38Å; F198-S209 PolarHBondContact N-O 3.31Å; F198-S209 PolarHBondContact O-N 3.19Å; F198-R211 VanDerWaalsContact CD1-NH1 3.32Å; F198-R211 HydrophobicContact CD2-CB 4.36Å; F198-R211 VanDerWaalsContact CD2-CD 3.4Å; F198-R211 HydrophobicContact CD2-CG 3.82Å; F198-R211 VanDerWaalsContact CE1-NH1 3.32Å; F198-R211 HydrophobicContact CE2-CG 4.36Å; F198-Y719 AromaticContact CD1-CD1 3.57Å; F198-Y719 HydrophobicContact CD1-CD1 3.57Å; F198-Y719 AromaticContact CD1-CD2 3.9Å; F198-Y719 HydrophobicContact CD1-CD2 3.9Å; F198-Y719 AromaticContact CD1-CE1 3.85Å; F198-Y719 HydrophobicContact CD1-CE1 3.85Å; F198-Y719 HydrophobicContact CD1-CE2 4.19Å; F198-Y719 AromaticContact CD1-CG 3.6Å; F198-Y719 HydrophobicContact CD1-CG 3.6Å; F198-Y719 HydrophobicContact CE1-CD1 4.11Å; F198-Y719 AromaticContact CE1-CD2 3.67Å; F198-Y719 HydrophobicContact CE1-CD2 3.67Å; F198-Y719 HydrophobicContact CE1-CE2 4.2Å; F198-Y719 AromaticContact CE1-CG 3.62Å; F198-Y719 HydrophobicContact CE1-CG 3.62Å
199K94.2Very high90Very high24 Ų2449.4 Ų49.410%0.10427%0.271CS..EExtended strand (participates in β ladder)trans-106.8135.4169.8-177.5170.562.2-170.70109S170 D172 C173 D177 V207 Y208S170-K199 PolarHBondContact OG-N 2.98Å; D172-K199 WeakPolarHBondContact O-CE 3.36Å; D172-K199 PolarHBondContact O-NZ 3.13Å; D172-K199 WeakPolarHBondContact OD2-CE 3.48Å; D172-K199 WeakPolarHBondContact OD2-CG 3.32Å; C173-K199 VanDerWaalsContact SG-CB 3.58Å; D177-K199 IonicContact OD1-NZ 3.67Å; D177-K199 IonicContact OD2-NZ 2.81Å; D177-K199 PolarHBondContact OD2-NZ 2.85Å; K199-V207 WeakPolarHBondContact CA-O 3.29Å; K199-Y208 HydrophobicContact CB-CD1 4.32Å; K199-Y208 HydrophobicContact CB-CE1 4.4Å; K199-Y208 HydrophobicContact CD-CD1 4.44Å; K199-Y208 HydrophobicContact CD-CE1 3.75Å; K199-Y208 HydrophobicContact CG-CD1 4.37Å; K199-Y208 HydrophobicContact CG-CE1 4.16Å
200S89.8Confident90.5Very high51 Ų5140.5 Ų40.536%0.35723%0.232SC..EExtended strand (participates in β ladder)trans-127.6141.8169.763.50000109.4K206 V207S200-K206 WeakPolarHBondContact O-CA 3.49Å; S200-V207 PolarHBondContact N-O 2.9Å; S200-V207 PolarHBondContact O-N 3.47Å
201S82.3Confident91Very high83 Ų8339 Ų3958%0.5822%0.221SC*.EExtended strand (participates in β ladder)trans-116.1123.3177.4-61.60000108.9
202N74.3Confident91.4Very high90 Ų9036.6 Ų36.648%0.48121%0.209SC..EExtended strand (participates in β ladder)trans-102.7171.3160.56537.4000108.6N204 S205N202-N204 PolarHBondContact O-N 3.38Å; N202-S205 PolarHBondContact N-O 3.28Å; N202-S205 PolarHBondContact ND2-OG 2.94Å; N202-S205 PolarHBondContact O-N 3.36Å; N202-S205 WeakPolarHBondContact OD1-CA 3.4Å; N202-S205 WeakPolarHBondContact OD1-CB 3.38Å; N202-S205 PolarHBondContact OD1-N 3.4Å; N202-S205 PolarHBondContact OD1-O 3.09Å; N202-S205 VanDerWaalsContact OD1-O 3.07Å; N202-S205 PolarHBondContact OD1-OG 2.89Å
203S67.3Low91.6Very high120 Ų12036.6 Ų36.684%0.83921%0.209SC*.THydrogen-bonded Turntrans-54-18-166.347.50000116.2
204N71.9Confident91.8Very high152 Ų15234.9 Ų34.981%0.81320%0.202SC*.THydrogen-bonded Turntrans-140.64.5178.3-77.5-29.6000115.3N202N202-N204 PolarHBondContact O-N 3.38Å
205S85.3Confident91.8Very high39 Ų3935.1 Ų35.127%0.27321%0.205SC..EExtended strand (participates in β ladder)trans-147.8146.7-18067.80000113N202 G230N202-S205 PolarHBondContact N-O 3.28Å; N202-S205 PolarHBondContact ND2-OG 2.94Å; N202-S205 PolarHBondContact O-N 3.36Å; N202-S205 WeakPolarHBondContact OD1-CA 3.4Å; N202-S205 WeakPolarHBondContact OD1-CB 3.38Å; N202-S205 PolarHBondContact OD1-N 3.4Å; N202-S205 PolarHBondContact OD1-O 3.09Å; N202-S205 VanDerWaalsContact OD1-O 3.07Å; N202-S205 PolarHBondContact OD1-OG 2.89Å; S205-G230 VanDerWaalsContact CA-O 3.26Å; S205-G230 WeakPolarHBondContact CA-O 3.4Å
206K91.1Very high91.8Very high97 Ų9739.6 Ų39.642%0.42223%0.226SC..EExtended strand (participates in β ladder)trans-101.7135.7171.9-60.6175.2179.9174.60109S200 G230 T231 S232S200-K206 WeakPolarHBondContact O-CA 3.49Å; K206-G230 PolarHBondContact N-O 2.96Å; K206-T231 HydrophobicContact CB-CG2 4.1Å; K206-T231 HydrophobicContact CD-CG2 4.33Å; K206-T231 CarbonylContact O-C 3.55Å; K206-T231 VanDerWaalsContact O-CA 3.28Å; K206-T231 WeakPolarHBondContact O-CA 3.3Å; K206-S232 PolarHBondContact O-N 3.47Å; K206-S232 PolarHBondContact O-OG 3.4Å
207V94.8Very high91.8Very high19 Ų1946.1 Ų46.112%0.11525%0.254CS..EExtended strand (participates in β ladder)trans-117.3120.5174.8-1710000107.9K199 S200 S232 Q234K199-V207 WeakPolarHBondContact CA-O 3.29Å; S200-V207 PolarHBondContact N-O 2.9Å; S200-V207 PolarHBondContact O-N 3.47Å; V207-S232 WeakPolarHBondContact CA-O 3.08Å; V207-Q234 HydrophobicContact CG1-CG 4.03Å
208Y96.7Very high91.8Very high7 Ų749.6 Ų49.63%0.02727%0.269CS..EExtended strand (participates in β ladder)trans-91.5120.9167.6-64.7-76.9000108.5D177 L180 V181 L197 F198 K199 L227 T231 S232 L233 Q234D177-Y208 HydrophobicContact CB-CE1 3.81Å; D177-Y208 WeakPolarHBondContact OD1-CE1 3.15Å; D177-Y208 PolarHBondContact OD1-OH 3.3Å; L180-Y208 HydrophobicContact CD2-CE2 4.29Å; V181-Y208 HydrophobicContact CG2-CD1 4.32Å; V181-Y208 HydrophobicContact CG2-CG 4.29Å; L197-Y208 HydrophobicContact CD1-CD1 4.28Å; F198-Y208 CarbonylContact O-C 3.48Å; F198-Y208 WeakPolarHBondContact O-CA 3.38Å; K199-Y208 HydrophobicContact CB-CD1 4.32Å; K199-Y208 HydrophobicContact CB-CE1 4.4Å; K199-Y208 HydrophobicContact CD-CD1 4.44Å; K199-Y208 HydrophobicContact CD-CE1 3.75Å; K199-Y208 HydrophobicContact CG-CD1 4.37Å; K199-Y208 HydrophobicContact CG-CE1 4.16Å; Y208-L227 HydrophobicContact CD2-CD2 4.38Å; Y208-T231 HydrophobicContact CE2-CG2 4.22Å; Y208-S232 PolarHBondContact N-O 3.03Å; Y208-L233 CarbonylContact O-C 3.46Å; Y208-L233 WeakPolarHBondContact O-CA 3.35Å; Y208-Q234 PolarHBondContact O-N 3.28Å
209S97.2Very high91.8Very high5 Ų554.5 Ų54.54%0.03530%0.295CS..EExtended strand (participates in β ladder)trans-104.4114.1173.3-69.30000109.9F198 R211 Q234 E236F198-S209 PolarHBondContact N-O 3.31Å; F198-S209 PolarHBondContact O-N 3.19Å; S209-R211 PolarHBondContact O-N 2.92Å; S209-Q234 WeakPolarHBondContact OG-CG 3.33Å; S209-Q234 PolarHBondContact OG-NE2 3.38Å; S209-E236 WeakPolarHBondContact CB-OE2 3.46Å; S209-E236 PolarHBondContact OG-OE2 3.5Å
210I98.1Very high91.8Very high0 Ų057.6 Ų57.60%031%0.309CS..EExtended strand (participates in β ladder)trans-81.2106.4164.2-50.3-178.6000106.8V181 Y184 L185 T195 F212 L233 Q234 L235 E236V181-I210 HydrophobicContact CG1-CD1 3.58Å; V181-I210 HydrophobicContact CG1-CG1 3.68Å; Y184-I210 HydrophobicContact CD1-CD1 3.71Å; Y184-I210 HydrophobicContact CE1-CD1 3.92Å; L185-I210 HydrophobicContact CD2-CD1 3.94Å; L185-I210 HydrophobicContact CG-CD1 4.18Å; T195-I210 HydrophobicContact CG2-CG2 3.94Å; I210-F212 HydrophobicContact CB-CE2 4.14Å; I210-F212 HydrophobicContact CG2-CD2 4.36Å; I210-F212 HydrophobicContact CG2-CE2 3.72Å; I210-F212 HydrophobicContact CG2-CZ 4.02Å; I210-F212 WeakPolarHBondContact O-CD2 3.37Å; I210-L233 HydrophobicContact CD1-CD1 4.06Å; I210-L233 HydrophobicContact CD1-CD2 4.39Å; I210-L233 HydrophobicContact CG1-CD1 3.88Å; I210-Q234 PolarHBondContact N-O 2.99Å; I210-L235 HydrophobicContact CB-CD2 4.26Å; I210-L235 HydrophobicContact CD1-CD2 3.93Å; I210-L235 HydrophobicContact CG1-CD2 4.42Å; I210-E236 PolarHBondContact O-N 3.43Å
211R98.3Very high92.1Very high21 Ų2161.2 Ų61.28%0.07933%0.331CS..EExtended strand (participates in β ladder)trans-90.5113.1-175.8-71.8-161.7173.9157.6-7.6111.3T195 R196 F198 S209 E236 D239 Y719T195-R211 CarbonylContact C-O 3.52Å; T195-R211 WeakPolarHBondContact CA-O 3.33Å; R196-R211 HydrophobicContact CB-CB 4.42Å; R196-R211 PolarHBondContact N-O 2.75Å; R196-R211 PolarHBondContact O-N 3.18Å; F198-R211 VanDerWaalsContact CD1-NH1 3.32Å; F198-R211 HydrophobicContact CD2-CB 4.36Å; F198-R211 VanDerWaalsContact CD2-CD 3.4Å; F198-R211 HydrophobicContact CD2-CG 3.82Å; F198-R211 VanDerWaalsContact CE1-NH1 3.32Å; F198-R211 HydrophobicContact CE2-CG 4.36Å; S209-R211 PolarHBondContact O-N 2.92Å; R211-E236 CarbonylContact C-O 3.51Å; R211-E236 WeakPolarHBondContact CA-O 3.33Å; R211-E236 HydrophobicContact CG-CB 4.19Å; R211-E236 HydrophobicContact CG-CG 4.17Å; R211-E236 IonicContact CZ-OE1 3.76Å; R211-E236 IonicContact NE-OE1 3.1Å; R211-E236 PolarHBondContact NE-OE1 3.34Å; R211-E236 IonicContact NE-OE2 2.83Å; R211-E236 IonicContact NH2-OE1 3.3Å; R211-E236 PolarHBondContact NH2-OE1 3.14Å; R211-D239 HydrophobicContact CB-CB 4.06Å; R211-Y719 PolarHBondContact NH2-OH 3.31Å
212F98.5Very high92.7Very high11 Ų1158 Ų585%0.04831%0.31CS..EExtended strand (participates in β ladder)trans-90.4127178.2-69.6-96.7000110.9T195 I210 S214 L235 E236 Y237 G238 D239T195-F212 HydrophobicContact CG2-CD1 3.73Å; T195-F212 HydrophobicContact CG2-CE1 3.64Å; T195-F212 HydrophobicContact CG2-CG 4.27Å; T195-F212 HydrophobicContact CG2-CZ 4.1Å; I210-F212 HydrophobicContact CB-CE2 4.14Å; I210-F212 HydrophobicContact CG2-CD2 4.36Å; I210-F212 HydrophobicContact CG2-CE2 3.72Å; I210-F212 HydrophobicContact CG2-CZ 4.02Å; I210-F212 WeakPolarHBondContact O-CD2 3.37Å; F212-S214 PolarHBondContact O-N 2.89Å; F212-S214 VanDerWaalsContact O-N 3.16Å; F212-S214 PolarHBondContact O-OG 3.32Å; F212-L235 HydrophobicContact CD2-CB 4.47Å; F212-L235 HydrophobicContact CE2-CB 3.95Å; F212-L235 HydrophobicContact CE2-CD2 4.01Å; F212-L235 HydrophobicContact CE2-CG 4.41Å; F212-L235 HydrophobicContact CZ-CD2 4.49Å; F212-E236 PolarHBondContact N-O 3.14Å; F212-Y237 HydrophobicContact CB-CD1 3.63Å; F212-Y237 HydrophobicContact CB-CE1 3.87Å; F212-Y237 HydrophobicContact CB-CG 4.05Å; F212-Y237 HydrophobicContact CD1-CE1 4.3Å; F212-Y237 HydrophobicContact CD2-CD2 4.32Å; F212-Y237 HydrophobicContact CD2-CE1 4.27Å; F212-Y237 HydrophobicContact CD2-CE2 4.08Å; F212-Y237 HydrophobicContact CG-CD1 4.14Å; F212-Y237 AromaticContact CG-CE1 3.89Å; F212-Y237 HydrophobicContact CG-CE1 3.89Å; F212-G238 PolarHBondContact O-N 3.41Å; F212-D239 WeakPolarHBondContact O-CB 3.3Å; F212-D239 PolarHBondContact O-N 3.3Å
213A98.8Very high93.5Very high2 Ų260.9 Ų60.92%0.01732%0.32CS..EExtended strand (participates in β ladder)trans-65.3111.2174.800000110.5N194 D239 Y240 M244 G277 F303N194-A213 HydrophobicContact CB-CB 4.22Å; N194-A213 WeakPolarHBondContact O-CB 3.44Å; N194-A213 PolarHBondContact O-N 2.82Å; A213-D239 WeakPolarHBondContact CA-O 3.43Å; A213-Y240 HydrophobicContact CB-CD2 3.74Å; A213-Y240 HydrophobicContact CB-CE2 3.96Å; A213-M244 HydrophobicContact CB-CE 3.51Å; A213-G277 WeakPolarHBondContact O-CA 3.27Å; A213-F303 HydrophobicContact CB-CE1 4.25Å; A213-F303 HydrophobicContact CB-CE2 3.53Å; A213-F303 HydrophobicContact CB-CZ 3.34Å
214S98.8Very high94.8Very high0 Ų056.4 Ų56.40%029%0.286CS..  trans-165.6151.6-172.8420000112.9F212 E216 Y237 G238 D239 C241 F274F212-S214 PolarHBondContact O-N 2.89Å; F212-S214 VanDerWaalsContact O-N 3.16Å; F212-S214 PolarHBondContact O-OG 3.32Å; S214-E216 PolarHBondContact OG-O 2.92Å; S214-Y237 WeakPolarHBondContact OG-CB 3.5Å; S214-G238 VanDerWaalsContact O-CA 3.31Å; S214-G238 WeakPolarHBondContact O-CA 3.47Å; S214-G238 PolarHBondContact OG-N 2.79Å; S214-D239 PolarHBondContact N-O 3.14Å; S214-D239 VanDerWaalsContact N-O 3.1Å; S214-C241 VanDerWaalsContact O-CA 3.31Å; S214-C241 WeakPolarHBondContact O-CA 3.24Å; S214-C241 WeakPolarHBondContact O-CB 3.37Å; S214-F274 CarbonylContact C-O 3.36Å; S214-F274 WeakPolarHBondContact CA-O 3.47Å
215A98.7Very high95.7Very high10 Ų1056 Ų568%0.08328%0.284CS..SBendtrans-72-39173.700000111.9M244 K245 V248 F274 C275A215-M244 HydrophobicContact CB-CB 4.05Å; A215-K245 HydrophobicContact CB-CG 3.71Å; A215-V248 HydrophobicContact CB-CG2 4.37Å; A215-F274 PolarHBondContact N-O 3.47Å; A215-C275 PolarHBondContact N-O 2.89Å; A215-C275 VanDerWaalsContact N-O 3.17Å
216E98.4Very high96Very high96 Ų9657 Ų5745%0.44929%0.294SS..SBendtrans-75.4140.6176.9-68.6-174.9161.800111.8S214 Y237 G238 C275S214-E216 PolarHBondContact OG-O 2.92Å; E216-Y237 CarbonylContact O-C 3.56Å; E216-G238 WeakPolarHBondContact O-CA 3.37Å; E216-G238 PolarHBondContact O-N 3.37Å; E216-G238 VanDerWaalsContact O-N 3.11Å; E216-C275 WeakPolarHBondContact CB-O 3.42Å; E216-C275 WeakPolarHBondContact CG-O 3.2Å; E216-C275 PolarHBondContact N-O 3.06Å
217K98.1Very high95.9Very high139 Ų13953.9 Ų53.960%0.60428%0.282SS*.  trans-106124.6176.9-63.1-176.1174.5179.30109.6C241K217-C241 WeakPolarHBondContact CE-SG 3.3Å; K217-C241 PolarHBondContact NZ-SG 2.88Å
218K97.1Very high95.7Very high74 Ų7456.2 Ų56.232%0.32230%0.297SS..EExtended strand (participates in β ladder)trans-153.2145.2170.362.9-175.8-175.1-159.50109.8Y237K218-Y237 HydrophobicContact CD-CD2 3.93Å; K218-Y237 HydrophobicContact CD-CE2 4.23Å; K218-Y237 HydrophobicContact CD-CG 4.14Å; K218-Y237 HydrophobicContact CG-CD1 4.48Å; K218-Y237 HydrophobicContact CG-CD2 3.37Å; K218-Y237 HydrophobicContact CG-CE2 4.13Å; K218-Y237 HydrophobicContact CG-CG 3.58Å; K218-Y237 PolarHBondContact N-O 2.73Å; K218-Y237 PolarHBondContact O-N 2.66Å
219I97.1Very high95.3Very high105 Ų10564.9 Ų64.954%0.53834%0.343SS..EExtended strand (participates in β ladder)trans-120.5129.4174.3-59.2178.2000107.6Q234 L235 E236I219-Q234 HydrophobicContact CG2-CB 4.23Å; I219-Q234 HydrophobicContact CG2-CG 4.37Å; I219-L235 CarbonylContact C-O 3.59Å; I219-L235 WeakPolarHBondContact CA-O 3.38Å; I219-E236 HydrophobicContact CD1-CG 4.4Å; I219-E236 HydrophobicContact CG1-CB 4.45Å; I219-E236 HydrophobicContact CG1-CG 4.1Å
220Q96Very high94.9Very high89 Ų8966.6 Ų66.642%0.41636%0.362SS..EExtended strand (participates in β ladder)trans-131.4123-179.5-62.6-177.90.700109.4A222 Q234 L235Q220-A222 PolarHBondContact O-N 2.64Å; Q220-Q234 CarbonylContact O-C 3.51Å; Q220-Q234 WeakPolarHBondContact O-CA 3.3Å; Q220-L235 PolarHBondContact N-O 2.98Å; Q220-L235 PolarHBondContact O-N 3.27Å
221P95.5Very high94.7Very high126 Ų12667.9 Ų67.982%0.81837%0.37SS*.EExtended strand (participates in β ladder)trans-58.7138.1171.1-22.233.3000110.8
222A94.8Very high94.5Very high15 Ų1569.3 Ų69.312%0.12438%0.382CS..EExtended strand (participates in β ladder)trans-114.5136175.200000110Y184 Q220 L233 L235Y184-A222 HydrophobicContact CE1-CB 4.45Å; Y184-A222 HydrophobicContact CE2-CB 4.15Å; Y184-A222 WeakPolarHBondContact OH-CB 3.14Å; Q220-A222 PolarHBondContact O-N 2.64Å; A222-L233 HydrophobicContact CB-CB 4.2Å; A222-L233 HydrophobicContact CB-CD2 3.93Å; A222-L233 HydrophobicContact CB-CG 3.93Å; A222-L233 PolarHBondContact N-O 3.47Å; A222-L235 HydrophobicContact CB-CD2 4.18Å; A222-L235 HydrophobicContact CB-CG 4.17Å
223H91.9Very high94.4Very high152 Ų15269 Ų6970%0.70438%0.381SS*.  trans-97.1131.5176-175.363.4000110.3D225H223-D225 IonicContact CE1-OD1 3.53Å; H223-D225 IonicContact NE2-OD1 3.68Å; H223-D225 PolarHBondContact NE2-OD1 3.16Å; H223-D225 VanDerWaalsContact NE2-OD1 3.11Å
224F93.8Very high94.3Very high26 Ų2671 Ų7111%0.11439%0.39CS..  trans-150.1113175.9-175.1-138.6000110.6L180 K183 Y184 N187 A226 L227 L233L180-F224 HydrophobicContact CD1-CE1 4.06Å; K183-F224 HydrophobicContact CB-CE1 4.29Å; K183-F224 HydrophobicContact CB-CZ 3.81Å; Y184-F224 HydrophobicContact CD2-CB 3.68Å; Y184-F224 HydrophobicContact CD2-CD1 4.41Å; Y184-F224 AromaticContact CD2-CD2 3.93Å; Y184-F224 HydrophobicContact CD2-CD2 3.93Å; Y184-F224 AromaticContact CD2-CG 3.78Å; Y184-F224 HydrophobicContact CD2-CG 3.78Å; Y184-F224 HydrophobicContact CE2-CB 4.37Å; Y184-F224 HydrophobicContact CG-CB 4.47Å; Y184-F224 HydrophobicContact CG-CG 4.31Å; N187-F224 HydrophobicContact CB-CE2 4.46Å; F224-A226 HydrophobicContact CD1-CB 4.19Å; F224-A226 HydrophobicContact CE1-CB 3.68Å; F224-A226 HydrophobicContact CE2-CB 4.05Å; F224-A226 HydrophobicContact CZ-CB 3.59Å; F224-A226 PolarHBondContact O-N 2.86Å; F224-A226 VanDerWaalsContact O-N 3.15Å; F224-L227 HydrophobicContact CB-CD1 4Å; F224-L227 HydrophobicContact CB-CG 3.96Å; F224-L227 HydrophobicContact CD1-CD2 4.28Å; F224-L227 HydrophobicContact CD1-CG 3.99Å; F224-L227 HydrophobicContact CG-CG 4.42Å; F224-L227 WeakPolarHBondContact O-CB 3.37Å; F224-L227 WeakPolarHBondContact O-CG 3.39Å; F224-L227 PolarHBondContact O-N 2.9Å; F224-L227 VanDerWaalsContact O-N 3.1Å; F224-L233 HydrophobicContact CB-CD2 4.42Å
225D90.7Very high94.3Very high144 Ų14472.1 Ų72.177%0.7740%0.396SS*.THydrogen-bonded Turntrans-61.6-24.4-173.9-70.9-39.1000114H223 L227H223-D225 IonicContact CE1-OD1 3.53Å; H223-D225 IonicContact NE2-OD1 3.68Å; H223-D225 PolarHBondContact NE2-OD1 3.16Å; H223-D225 VanDerWaalsContact NE2-OD1 3.11Å; D225-L227 VanDerWaalsContact C-N 3.25Å; D225-L227 PolarHBondContact O-N 3.13Å
226A90.5Very high94.2Very high59 Ų5973.3 Ų73.349%0.48840%0.4SS..THydrogen-bonded Turntrans-81.80.6179.800000113.8F224F224-A226 HydrophobicContact CD1-CB 4.19Å; F224-A226 HydrophobicContact CE1-CB 3.68Å; F224-A226 HydrophobicContact CE2-CB 4.05Å; F224-A226 HydrophobicContact CZ-CB 3.59Å; F224-A226 PolarHBondContact O-N 2.86Å; F224-A226 VanDerWaalsContact O-N 3.15Å
227L90.8Very high94.2Very high32 Ų3270.7 Ų70.717%0.16839%0.386CS..SBendtrans-67.5134.1176.1-75.5172.5000111.4L180 Y208 F224 D225 T231 L233L180-L227 HydrophobicContact CD2-CD2 4.16Å; L180-L227 HydrophobicContact CG-CD2 4.47Å; Y208-L227 HydrophobicContact CD2-CD2 4.38Å; F224-L227 HydrophobicContact CB-CD1 4Å; F224-L227 HydrophobicContact CB-CG 3.96Å; F224-L227 HydrophobicContact CD1-CD2 4.28Å; F224-L227 HydrophobicContact CD1-CG 3.99Å; F224-L227 HydrophobicContact CG-CG 4.42Å; F224-L227 WeakPolarHBondContact O-CB 3.37Å; F224-L227 WeakPolarHBondContact O-CG 3.39Å; F224-L227 PolarHBondContact O-N 2.9Å; F224-L227 VanDerWaalsContact O-N 3.1Å; D225-L227 VanDerWaalsContact C-N 3.25Å; D225-L227 PolarHBondContact O-N 3.13Å; L227-T231 WeakPolarHBondContact CB-OG1 3.4Å; L227-L233 HydrophobicContact CD1-CB 3.73Å; L227-L233 HydrophobicContact CD2-CB 4.46Å
228P90.1Very high94.2Very high68 Ų6864.5 Ų64.544%0.44236%0.362SS..PPolyproline II helixtrans-59.2152172.9-22.532.1000112.5L180 G230 T231L180-P228 HydrophobicContact CD2-CG 4.23Å; P228-G230 PolarHBondContact O-N 3.2Å; P228-T231 HydrophobicContact CB-CG2 4Å; P228-T231 WeakPolarHBondContact CD-OG1 3.35Å; P228-T231 HydrophobicContact CG-CG2 4.4Å; P228-T231 WeakPolarHBondContact O-CB 3.34Å; P228-T231 PolarHBondContact O-N 3.47Å; P228-T231 VanDerWaalsContact O-N 3.07Å; P228-T231 PolarHBondContact O-OG1 3.38Å
229L88.4Confident94.3Very high189 Ų18961.3 Ų61.399%0.9935%0.349SS*.THydrogen-bonded Turntrans-55.3135.4175.9-172.171000111.2T231L229-T231 VanDerWaalsContact C-N 3.29Å
230G89.4Confident94.4Very high41 Ų4156.4 Ų56.442%0.42332%0.323SS..THydrogen-bonded Turntrans78.311.3-17800000114.2S205 K206 P228S205-G230 VanDerWaalsContact CA-O 3.26Å; S205-G230 WeakPolarHBondContact CA-O 3.4Å; K206-G230 PolarHBondContact N-O 2.96Å; P228-G230 PolarHBondContact O-N 3.2Å
231T92.9Very high94.5Very high27 Ų2752.2 Ų52.217%0.16630%0.304CS..EExtended strand (participates in β ladder)trans-111.6150.5172.173.10000111K206 Y208 L227 P228 L229K206-T231 HydrophobicContact CB-CG2 4.1Å; K206-T231 HydrophobicContact CD-CG2 4.33Å; K206-T231 CarbonylContact O-C 3.55Å; K206-T231 VanDerWaalsContact O-CA 3.28Å; K206-T231 WeakPolarHBondContact O-CA 3.3Å; Y208-T231 HydrophobicContact CE2-CG2 4.22Å; L227-T231 WeakPolarHBondContact CB-OG1 3.4Å; P228-T231 HydrophobicContact CB-CG2 4Å; P228-T231 WeakPolarHBondContact CD-OG1 3.35Å; P228-T231 HydrophobicContact CG-CG2 4.4Å; P228-T231 WeakPolarHBondContact O-CB 3.34Å; P228-T231 PolarHBondContact O-N 3.47Å; P228-T231 VanDerWaalsContact O-N 3.07Å; P228-T231 PolarHBondContact O-OG1 3.38Å; L229-T231 VanDerWaalsContact C-N 3.29Å
232S94.4Very high94.6Very high50 Ų5048.3 Ų48.335%0.3528%0.275SS..EExtended strand (participates in β ladder)trans-135.4154.6174.857.40000109.7K206 V207 Y208K206-S232 PolarHBondContact O-N 3.47Å; K206-S232 PolarHBondContact O-OG 3.4Å; V207-S232 WeakPolarHBondContact CA-O 3.08Å; Y208-S232 PolarHBondContact N-O 3.03Å
233L96.2Very high94.8Very high5 Ų547.6 Ų47.63%0.02627%0.269CS..EExtended strand (participates in β ladder)trans-120.6140.1178.3-175.669.2000108.8V181 Y184 Y208 I210 A222 F224 L227V181-L233 HydrophobicContact CG2-CD1 4.16Å; Y184-L233 HydrophobicContact CD1-CD2 3.54Å; Y184-L233 HydrophobicContact CD2-CD2 3.71Å; Y184-L233 HydrophobicContact CE1-CD2 3.87Å; Y184-L233 HydrophobicContact CE2-CD2 4.01Å; Y184-L233 HydrophobicContact CG-CD2 3.43Å; Y184-L233 VanDerWaalsContact CG-CD2 3.43Å; Y208-L233 CarbonylContact O-C 3.46Å; Y208-L233 WeakPolarHBondContact O-CA 3.35Å; I210-L233 HydrophobicContact CD1-CD1 4.06Å; I210-L233 HydrophobicContact CD1-CD2 4.39Å; I210-L233 HydrophobicContact CG1-CD1 3.88Å; A222-L233 HydrophobicContact CB-CB 4.2Å; A222-L233 HydrophobicContact CB-CD2 3.93Å; A222-L233 HydrophobicContact CB-CG 3.93Å; A222-L233 PolarHBondContact N-O 3.47Å; F224-L233 HydrophobicContact CB-CD2 4.42Å; L227-L233 HydrophobicContact CD1-CB 3.73Å; L227-L233 HydrophobicContact CD2-CB 4.46Å
234Q96.8Very high95.1Very high43 Ų4340.3 Ų40.320%0.20124%0.235CC..EExtended strand (participates in β ladder)trans-136.9146.6173.366-178.638.200111V207 Y208 S209 I210 I219 Q220 E236V207-Q234 HydrophobicContact CG1-CG 4.03Å; Y208-Q234 PolarHBondContact O-N 3.28Å; S209-Q234 WeakPolarHBondContact OG-CG 3.33Å; S209-Q234 PolarHBondContact OG-NE2 3.38Å; I210-Q234 PolarHBondContact N-O 2.99Å; I219-Q234 HydrophobicContact CG2-CB 4.23Å; I219-Q234 HydrophobicContact CG2-CG 4.37Å; Q220-Q234 CarbonylContact O-C 3.51Å; Q220-Q234 WeakPolarHBondContact O-CA 3.3Å; Q234-E236 PolarHBondContact NE2-OE2 3.03Å
235L97.6Very high95.4Very high25 Ų2544.5 Ų44.513%0.13125%0.253CS..EExtended strand (participates in β ladder)trans-92.3116.2167.9-46.6-178.1000107.3Y184 I210 F212 I219 Q220 A222 Y237Y184-L235 HydrophobicContact CE1-CD2 3.86Å; I210-L235 HydrophobicContact CB-CD2 4.26Å; I210-L235 HydrophobicContact CD1-CD2 3.93Å; I210-L235 HydrophobicContact CG1-CD2 4.42Å; F212-L235 HydrophobicContact CD2-CB 4.47Å; F212-L235 HydrophobicContact CE2-CB 3.95Å; F212-L235 HydrophobicContact CE2-CD2 4.01Å; F212-L235 HydrophobicContact CE2-CG 4.41Å; F212-L235 HydrophobicContact CZ-CD2 4.49Å; I219-L235 CarbonylContact C-O 3.59Å; I219-L235 WeakPolarHBondContact CA-O 3.38Å; Q220-L235 PolarHBondContact N-O 2.98Å; Q220-L235 PolarHBondContact O-N 3.27Å; A222-L235 HydrophobicContact CB-CD2 4.18Å; A222-L235 HydrophobicContact CB-CG 4.17Å; L235-Y237 HydrophobicContact CB-CE2 4.07Å
236E97.9Very high95.8Very high35 Ų3538.4 Ų38.416%0.16422%0.221CC..EExtended strand (participates in β ladder)trans-117.1106.6-174.7177.7175.2155.100109.1S209 I210 R211 F212 I219 Q234S209-E236 WeakPolarHBondContact CB-OE2 3.46Å; S209-E236 PolarHBondContact OG-OE2 3.5Å; I210-E236 PolarHBondContact O-N 3.43Å; R211-E236 CarbonylContact C-O 3.51Å; R211-E236 WeakPolarHBondContact CA-O 3.33Å; R211-E236 HydrophobicContact CG-CB 4.19Å; R211-E236 HydrophobicContact CG-CG 4.17Å; R211-E236 IonicContact CZ-OE1 3.76Å; R211-E236 IonicContact NE-OE1 3.1Å; R211-E236 PolarHBondContact NE-OE1 3.34Å; R211-E236 IonicContact NE-OE2 2.83Å; R211-E236 IonicContact NH2-OE1 3.3Å; R211-E236 PolarHBondContact NH2-OE1 3.14Å; F212-E236 PolarHBondContact N-O 3.14Å; I219-E236 HydrophobicContact CD1-CG 4.4Å; I219-E236 HydrophobicContact CG1-CB 4.45Å; I219-E236 HydrophobicContact CG1-CG 4.1Å; Q234-E236 PolarHBondContact NE2-OE2 3.03Å
237Y98.4Very high96.1Very high40 Ų4035.6 Ų35.616%0.15720%0.197CC..EExtended strand (participates in β ladder)trans-91155.6176.3-65.7-106.9000109.9F212 S214 E216 K218 L235 T276F212-Y237 HydrophobicContact CB-CD1 3.63Å; F212-Y237 HydrophobicContact CB-CE1 3.87Å; F212-Y237 HydrophobicContact CB-CG 4.05Å; F212-Y237 HydrophobicContact CD1-CE1 4.3Å; F212-Y237 HydrophobicContact CD2-CD2 4.32Å; F212-Y237 HydrophobicContact CD2-CE1 4.27Å; F212-Y237 HydrophobicContact CD2-CE2 4.08Å; F212-Y237 HydrophobicContact CG-CD1 4.14Å; F212-Y237 AromaticContact CG-CE1 3.89Å; F212-Y237 HydrophobicContact CG-CE1 3.89Å; S214-Y237 WeakPolarHBondContact OG-CB 3.5Å; E216-Y237 CarbonylContact O-C 3.56Å; K218-Y237 HydrophobicContact CD-CD2 3.93Å; K218-Y237 HydrophobicContact CD-CE2 4.23Å; K218-Y237 HydrophobicContact CD-CG 4.14Å; K218-Y237 HydrophobicContact CG-CD1 4.48Å; K218-Y237 HydrophobicContact CG-CD2 3.37Å; K218-Y237 HydrophobicContact CG-CE2 4.13Å; K218-Y237 HydrophobicContact CG-CG 3.58Å; K218-Y237 PolarHBondContact N-O 2.73Å; K218-Y237 PolarHBondContact O-N 2.66Å; L235-Y237 HydrophobicContact CB-CE2 4.07Å; Y237-T276 VanDerWaalsContact CD1-O 3.3Å; Y237-T276 WeakPolarHBondContact CD1-O 3.42Å; Y237-T276 WeakPolarHBondContact CE1-O 3.48Å
238G98.3Very high96.5Very high10 Ų1035.2 Ų35.210%0.10320%0.196CC..EExtended strand (participates in β ladder)trans107.413.9-175.600000114F212 S214 E216 Y240 C241F212-G238 PolarHBondContact O-N 3.41Å; S214-G238 VanDerWaalsContact O-CA 3.31Å; S214-G238 WeakPolarHBondContact O-CA 3.47Å; S214-G238 PolarHBondContact OG-N 2.79Å; E216-G238 WeakPolarHBondContact O-CA 3.37Å; E216-G238 PolarHBondContact O-N 3.37Å; E216-G238 VanDerWaalsContact O-N 3.11Å; G238-Y240 PolarHBondContact O-N 2.72Å; G238-C241 VanDerWaalsContact O-CB 3.28Å; G238-C241 WeakPolarHBondContact O-CB 3.5Å; G238-C241 PolarHBondContact O-N 3.46Å
239D98.4Very high96.9Very high6 Ų636.1 Ų36.13%0.03220%0.197CC..EExtended strand (participates in β ladder)trans-64.6137172-1532.8000109.5R196 R211 F212 A213 S214 C241R196-D239 IonicContact CZ-OD1 2.85Å; R196-D239 IonicContact CZ-OD2 2.75Å; R196-D239 IonicContact NE-OD1 3.62Å; R196-D239 IonicContact NE-OD2 3.37Å; R196-D239 PolarHBondContact NE-OD2 3.27Å; R196-D239 IonicContact NH2-OD1 2.97Å; R196-D239 PolarHBondContact NH2-OD1 3.17Å; R196-D239 IonicContact NH2-OD2 3.67Å; R196-D239 PolarHBondContact NH2-OD2 3.35Å; R211-D239 HydrophobicContact CB-CB 4.06Å; F212-D239 WeakPolarHBondContact O-CB 3.3Å; F212-D239 PolarHBondContact O-N 3.3Å; A213-D239 WeakPolarHBondContact CA-O 3.43Å; S214-D239 PolarHBondContact N-O 3.14Å; S214-D239 VanDerWaalsContact N-O 3.1Å; D239-C241 PolarHBondContact O-N 2.88Å; D239-C241 VanDerWaalsContact O-N 3.09Å
240Y98.5Very high97.4Very high2 Ų227.1 Ų27.11%0.00815%0.15CC..THydrogen-bonded Turntrans52.524.9-172.7-35.8-64.7000115.3I44 I47 Q48 R196 A213 G238 E242 L243 M244 F303 I712I44-Y240 HydrophobicContact CD1-CD2 4.47Å; I44-Y240 HydrophobicContact CG1-CG 4.41Å; I44-Y240 HydrophobicContact CG2-CD1 4.32Å; I44-Y240 HydrophobicContact CG2-CD2 3.99Å; I44-Y240 HydrophobicContact CG2-CE1 4.15Å; I44-Y240 HydrophobicContact CG2-CE2 3.82Å; I44-Y240 HydrophobicContact CG2-CG 4.22Å; I47-Y240 HydrophobicContact CB-CE1 4.1Å; I47-Y240 HydrophobicContact CG2-CD1 4.27Å; I47-Y240 HydrophobicContact CG2-CE1 3.67Å; Q48-Y240 WeakPolarHBondContact CG-OH 3.38Å; R196-Y240 WeakPolarHBondContact CD-OH 3.45Å; R196-Y240 PolarHBondContact NE-OH 2.79Å; A213-Y240 HydrophobicContact CB-CD2 3.74Å; A213-Y240 HydrophobicContact CB-CE2 3.96Å; G238-Y240 PolarHBondContact O-N 2.72Å; Y240-E242 PolarHBondContact O-N 3.26Å; Y240-L243 PolarHBondContact O-N 3.02Å; Y240-M244 HydrophobicContact CD2-CE 4.18Å; Y240-M244 PolarHBondContact O-N 2.9Å; Y240-F303 HydrophobicContact CD2-CZ 4.2Å; Y240-F303 HydrophobicContact CE2-CE1 4.09Å; Y240-F303 HydrophobicContact CE2-CZ 4.09Å; Y240-I712 HydrophobicContact CD1-CG2 4.07Å
241C98.4Very high97.9Very high1 Ų125.1 Ų25.11%0.00713%0.13CC..Hα-helixtrans-52.8-31-165.568.40000115.9S214 K217 G238 D239 K245S214-C241 VanDerWaalsContact O-CA 3.31Å; S214-C241 WeakPolarHBondContact O-CA 3.24Å; S214-C241 WeakPolarHBondContact O-CB 3.37Å; K217-C241 WeakPolarHBondContact CE-SG 3.3Å; K217-C241 PolarHBondContact NZ-SG 2.88Å; G238-C241 VanDerWaalsContact O-CB 3.28Å; G238-C241 WeakPolarHBondContact O-CB 3.5Å; G238-C241 PolarHBondContact O-N 3.46Å; D239-C241 PolarHBondContact O-N 2.88Å; D239-C241 VanDerWaalsContact O-N 3.09Å; C241-K245 VanDerWaalsContact O-CG 3.29Å; C241-K245 WeakPolarHBondContact O-CG 3.32Å; C241-K245 PolarHBondContact O-N 3.5Å; C241-K245 VanDerWaalsContact O-N 3.08Å
242E98.6Very high98.1Very high44 Ų4427.8 Ų27.821%0.20614%0.143CC..Hα-helixtrans-65.4-47.2177.6-64.577.7-17200111.3Y240 A708 T711 I712 R715Y240-E242 PolarHBondContact O-N 3.26Å; E242-A708 HydrophobicContact CB-CB 3.64Å; E242-T711 HydrophobicContact CG-CG2 4.08Å; E242-I712 HydrophobicContact CB-CD1 4.24Å; E242-I712 HydrophobicContact CB-CG1 4.31Å; E242-I712 VanDerWaalsContact OE2-CG1 3.24Å; E242-I712 WeakPolarHBondContact OE2-CG1 3.18Å; E242-R715 IonicContact OE1-NH1 2.77Å; E242-R715 PolarHBondContact OE1-NH1 2.93Å; E242-R715 IonicContact OE2-CZ 2.67Å; E242-R715 IonicContact OE2-NH1 2.73Å; E242-R715 PolarHBondContact OE2-NH1 3.23Å; E242-R715 IonicContact OE2-NH2 3.72Å; E242-R715 PolarHBondContact OE2-NH2 3.43Å
243L98.7Very high98.3Very high0 Ų028 Ų280%014%0.14CC..Hα-helixtrans-71.1-36174.9-72.8172.3000111.6I40 L43 I44 Y240 K245 L246 L247 A705 A708 I712I40-L243 HydrophobicContact CG2-CD2 4.04Å; L43-L243 HydrophobicContact CB-CD1 4.06Å; L43-L243 HydrophobicContact CB-CD2 4.47Å; L43-L243 HydrophobicContact CD1-CD2 4.19Å; I44-L243 HydrophobicContact CG1-CD1 3.88Å; Y240-L243 PolarHBondContact O-N 3.02Å; L243-K245 VanDerWaalsContact C-N 3.31Å; L243-K245 PolarHBondContact O-N 3.44Å; L243-L246 HydrophobicContact CD2-CD1 4.49Å; L243-L246 WeakPolarHBondContact O-CB 3.42Å; L243-L246 PolarHBondContact O-N 3.27Å; L243-L246 VanDerWaalsContact O-N 3.12Å; L243-L247 PolarHBondContact O-N 2.7Å; L243-A705 HydrophobicContact CD2-CB 4.19Å; L243-A708 HydrophobicContact CD2-CB 3.8Å; L243-A708 HydrophobicContact CG-CB 4.01Å; L243-I712 HydrophobicContact CB-CD1 4.04Å; L243-I712 HydrophobicContact CD1-CD1 3.62Å; L243-I712 HydrophobicContact CG-CD1 3.6Å
244M98.8Very high98.4Very high0 Ų027.8 Ų27.80%014%0.139CC..Hα-helixtrans-63.5-35.9178.5-71.4-60.4178.200113.1I44 A213 A215 Y240 L247 V248 F274 F303I44-M244 HydrophobicContact CD1-CE 3.63Å; I44-M244 HydrophobicContact CD1-SD 4.49Å; A213-M244 HydrophobicContact CB-CE 3.51Å; A215-M244 HydrophobicContact CB-CB 4.05Å; Y240-M244 HydrophobicContact CD2-CE 4.18Å; Y240-M244 PolarHBondContact O-N 2.9Å; M244-L247 HydrophobicContact CE-CD1 4.41Å; M244-L247 PolarHBondContact O-N 2.86Å; M244-L247 HydrophobicContact SD-CD1 3.71Å; M244-V248 WeakPolarHBondContact O-CG2 3.45Å; M244-V248 PolarHBondContact O-N 2.86Å; M244-F274 HydrophobicContact SD-CB 4.15Å; M244-F274 HydrophobicContact SD-CD1 4.2Å; M244-F274 HydrophobicContact SD-CG 4.43Å; M244-F303 HydrophobicContact CE-CE2 3.42Å; M244-F303 VanDerWaalsContact CE-CE2 3.42Å; M244-F303 HydrophobicContact CE-CZ 3.37Å
245K98.8Very high98.5Very high113 Ų11328.8 Ų28.849%0.49114%0.143SC..Hα-helixtrans-62-43.6172-73.7170-177.3-178.70112A215 C241 L243 L247 V248 D249A215-K245 HydrophobicContact CB-CG 3.71Å; C241-K245 VanDerWaalsContact O-CG 3.29Å; C241-K245 WeakPolarHBondContact O-CG 3.32Å; C241-K245 PolarHBondContact O-N 3.5Å; C241-K245 VanDerWaalsContact O-N 3.08Å; L243-K245 VanDerWaalsContact C-N 3.31Å; L243-K245 PolarHBondContact O-N 3.44Å; K245-L247 VanDerWaalsContact C-N 3.31Å; K245-L247 PolarHBondContact O-N 2.92Å; K245-V248 WeakPolarHBondContact O-CB 3.37Å; K245-V248 PolarHBondContact O-N 3.21Å; K245-D249 PolarHBondContact O-N 3.25Å; K245-D249 VanDerWaalsContact O-N 3.07Å
246L98.8Very high98.5Very high16 Ų1631.5 Ų31.58%0.08417%0.168CC..Hα-helixtrans-65.9-35.9176.7-61.3177.4000111.7I40 L243 D249 C250 L701 K704 A705 A708I40-L246 HydrophobicContact CD1-CB 4.32Å; I40-L246 HydrophobicContact CG2-CB 3.87Å; I40-L246 HydrophobicContact CG2-CD1 4.44Å; L243-L246 HydrophobicContact CD2-CD1 4.49Å; L243-L246 WeakPolarHBondContact O-CB 3.42Å; L243-L246 PolarHBondContact O-N 3.27Å; L243-L246 VanDerWaalsContact O-N 3.12Å; L246-D249 PolarHBondContact O-N 3.47Å; L246-C250 PolarHBondContact O-N 2.91Å; L246-C250 PolarHBondContact O-SG 3.37Å; L246-L701 HydrophobicContact CD2-CD1 4.42Å; L246-L701 HydrophobicContact CD2-CD2 4.5Å; L246-K704 HydrophobicContact CD1-CB 4.12Å; L246-K704 HydrophobicContact CD2-CB 4.22Å; L246-K704 HydrophobicContact CD2-CD 4.37Å; L246-A705 HydrophobicContact CD1-CB 4.02Å; L246-A708 HydrophobicContact CD1-CB 4.16Å
247L98.7Very high98.5Very high0 Ų032.3 Ų32.30%017%0.172CC..Hα-helixtrans-64.1-40.9173.3-79.5172000112.1A37 I40 I44 L243 M244 K245 C250 S251 F274 I301 F317A37-L247 WeakPolarHBondContact O-CD2 3.44Å; I40-L247 HydrophobicContact CG2-CD2 4.45Å; I40-L247 HydrophobicContact CG2-CG 4.33Å; I44-L247 HydrophobicContact CD1-CD1 4.06Å; L243-L247 PolarHBondContact O-N 2.7Å; M244-L247 HydrophobicContact CE-CD1 4.41Å; M244-L247 PolarHBondContact O-N 2.86Å; M244-L247 HydrophobicContact SD-CD1 3.71Å; K245-L247 VanDerWaalsContact C-N 3.31Å; K245-L247 PolarHBondContact O-N 2.92Å; L247-C250 PolarHBondContact O-N 3.28Å; L247-S251 WeakPolarHBondContact O-CB 3.32Å; L247-S251 PolarHBondContact O-N 3.01Å; L247-S251 PolarHBondContact O-OG 3.39Å; L247-S251 VanDerWaalsContact O-OG 3.05Å; L247-F274 HydrophobicContact CB-CB 4.34Å; L247-F274 HydrophobicContact CB-CD2 3.92Å; L247-F274 HydrophobicContact CB-CG 4.19Å; L247-I301 HydrophobicContact CD2-CD1 4.13Å; L247-F317 HydrophobicContact CD1-CE2 3.87Å; L247-F317 HydrophobicContact CD1-CZ 4Å; L247-F317 HydrophobicContact CD2-CZ 4.29Å
248V98.8Very high98.5Very high24 Ų2431.6 Ų31.615%0.14517%0.173CC..Hα-helixtrans-58.3-48.5172.4173.20000110.6A215 M244 K245 C250 S251 L252 A271 F274 C275A215-V248 HydrophobicContact CB-CG2 4.37Å; M244-V248 WeakPolarHBondContact O-CG2 3.45Å; M244-V248 PolarHBondContact O-N 2.86Å; K245-V248 WeakPolarHBondContact O-CB 3.37Å; K245-V248 PolarHBondContact O-N 3.21Å; V248-C250 VanDerWaalsContact C-N 3.31Å; V248-C250 PolarHBondContact O-N 3.42Å; V248-S251 PolarHBondContact O-N 3.3Å; V248-L252 HydrophobicContact CG1-CD1 4.34Å; V248-L252 WeakPolarHBondContact O-CG 3.37Å; V248-L252 PolarHBondContact O-N 2.88Å; V248-A271 HydrophobicContact CG1-CB 4.48Å; V248-F274 HydrophobicContact CG2-CB 3.99Å; V248-C275 HydrophobicContact CG2-CB 3.82Å
249D98.6Very high98.5Very high87 Ų8734.1 Ų34.147%0.46518%0.184SC..Hα-helixtrans-59.5-42.1177.3-68.4-20.7000111.7K245 L246 L252 D253 L701K245-D249 PolarHBondContact O-N 3.25Å; K245-D249 VanDerWaalsContact O-N 3.07Å; L246-D249 PolarHBondContact O-N 3.47Å; D249-L252 PolarHBondContact O-N 2.69Å; D249-D253 PolarHBondContact O-N 3.48Å; D249-L701 HydrophobicContact CB-CD1 4.25Å
250C98.6Very high98.5Very high0 Ų036.5 Ų36.50%020%0.196CC..Hα-helixtrans-66.3-40.2176.5-67.50000112.9A37 I40 L246 L247 V248 L252 D253 A254A37-C250 HydrophobicContact CB-CB 3.66Å; I40-C250 WeakPolarHBondContact CD1-SG 3.33Å; L246-C250 PolarHBondContact O-N 2.91Å; L246-C250 PolarHBondContact O-SG 3.37Å; L247-C250 PolarHBondContact O-N 3.28Å; V248-C250 VanDerWaalsContact C-N 3.31Å; V248-C250 PolarHBondContact O-N 3.42Å; C250-L252 VanDerWaalsContact C-N 3.28Å; C250-L252 PolarHBondContact O-N 2.99Å; C250-D253 PolarHBondContact O-N 3.23Å; C250-A254 WeakPolarHBondContact O-CB 3.24Å; C250-A254 PolarHBondContact O-N 3.12Å
251S98.7Very high98.4Very high0 Ų043.7 Ų43.70%023%0.228CC..Hα-helixtrans-63.2-37.8176.9-66.30000111.3L247 V248 A254 K255L247-S251 WeakPolarHBondContact O-CB 3.32Å; L247-S251 PolarHBondContact O-N 3.01Å; L247-S251 PolarHBondContact O-OG 3.39Å; L247-S251 VanDerWaalsContact O-OG 3.05Å; V248-S251 PolarHBondContact O-N 3.3Å; S251-A254 PolarHBondContact O-N 3Å; S251-K255 VanDerWaalsContact O-CB 3.28Å; S251-K255 WeakPolarHBondContact O-CB 3.4Å; S251-K255 PolarHBondContact O-N 2.9Å
252L98.6Very high98.4Very high82 Ų8246.3 Ų46.343%0.42924%0.241SC..Hα-helixtrans-69-35.3174-65.6176.4000112.5V248 D249 C250 K255 A256 A271V248-L252 HydrophobicContact CG1-CD1 4.34Å; V248-L252 WeakPolarHBondContact O-CG 3.37Å; V248-L252 PolarHBondContact O-N 2.88Å; D249-L252 PolarHBondContact O-N 2.69Å; C250-L252 VanDerWaalsContact C-N 3.28Å; C250-L252 PolarHBondContact O-N 2.99Å; L252-K255 WeakPolarHBondContact O-CB 3.45Å; L252-A256 PolarHBondContact O-N 2.96Å; L252-A256 VanDerWaalsContact O-N 3.16Å; L252-A271 HydrophobicContact CD2-CB 4.31Å
253D98.3Very high98.4Very high55 Ų5544.3 Ų44.329%0.29423%0.232SC..Hα-helixtrans-66.8-44.3172.9-173.254.3000111.7S33 D249 C250 K255 A256 H257S33-D253 WeakPolarHBondContact CB-OD2 3.32Å; D249-D253 PolarHBondContact O-N 3.48Å; C250-D253 PolarHBondContact O-N 3.23Å; D253-K255 VanDerWaalsContact C-N 3.34Å; D253-K255 PolarHBondContact O-N 2.84Å; D253-A256 WeakPolarHBondContact O-CB 3.38Å; D253-A256 PolarHBondContact O-N 2.74Å; D253-A256 VanDerWaalsContact O-N 3.12Å; D253-H257 PolarHBondContact O-N 2.78Å; D253-H257 PolarHBondContact O-ND1 3.08Å; D253-H257 IonicContact OD1-CE1 3.48Å; D253-H257 PolarHBondContact OD1-CE1 3.14Å; D253-H257 VanDerWaalsContact OD1-CE1 3.26Å; D253-H257 IonicContact OD1-ND1 3.26Å
254A98.5Very high98.4Very high0 Ų045.9 Ų45.90%024%0.243CC..Hα-helixtrans-65.9-36.1175.900000112.5Y30 S33 C250 S251 A256 H257 S258 W267Y30-A254 WeakPolarHBondContact CE2-O 3.43Å; S33-A254 WeakPolarHBondContact OG-CA 3.48Å; C250-A254 WeakPolarHBondContact O-CB 3.24Å; C250-A254 PolarHBondContact O-N 3.12Å; S251-A254 PolarHBondContact O-N 3Å; A254-A256 VanDerWaalsContact C-N 3.28Å; A254-A256 PolarHBondContact O-N 3.13Å; A254-H257 CarbonylContact O-C 3.48Å; A254-H257 PolarHBondContact O-N 2.69Å; A254-S258 PolarHBondContact O-N 2.77Å; A254-S258 PolarHBondContact O-OG 2.76Å; A254-W267 HydrophobicContact CB-CD2 3.53Å; A254-W267 VanDerWaalsContact CB-CE2 3.41Å; A254-W267 HydrophobicContact CB-CE3 3.92Å; A254-W267 HydrophobicContact CB-CG 4.01Å; A254-W267 HydrophobicContact CB-CH2 4.06Å; A254-W267 HydrophobicContact CB-CZ2 3.7Å; A254-W267 HydrophobicContact CB-CZ3 4.16Å
255K98.5Very high98.4Very high65 Ų6549.6 Ų49.628%0.28326%0.26SS..Hα-helixtrans-56.9-40.6169.6-179179.5-175.5-178.90112.3S251 L252 D253 H257 S258 S264 W267 D268S251-K255 VanDerWaalsContact O-CB 3.28Å; S251-K255 WeakPolarHBondContact O-CB 3.4Å; S251-K255 PolarHBondContact O-N 2.9Å; L252-K255 WeakPolarHBondContact O-CB 3.45Å; D253-K255 VanDerWaalsContact C-N 3.34Å; D253-K255 PolarHBondContact O-N 2.84Å; K255-H257 VanDerWaalsContact C-N 3.29Å; K255-H257 PolarHBondContact O-N 3.37Å; K255-S258 WeakPolarHBondContact CA-OG 3.48Å; K255-S258 WeakPolarHBondContact O-CB 3.48Å; K255-S258 PolarHBondContact O-N 3.48Å; K255-S258 PolarHBondContact O-OG 3.42Å; K255-S264 WeakPolarHBondContact CG-O 3.5Å; K255-S264 VanDerWaalsContact CG-OG 3.28Å; K255-S264 WeakPolarHBondContact CG-OG 3.35Å; K255-S264 PolarHBondContact O-OG 3.23Å; K255-W267 HydrophobicContact CB-CB 3.81Å; K255-D268 HydrophobicContact CD-CB 4.27Å; K255-D268 IonicContact NZ-OD1 3.59Å; K255-D268 PolarHBondContact NZ-OD1 3.33Å; K255-D268 IonicContact NZ-OD2 3.38Å
256A98.2Very high98.4Very high81 Ų8144.2 Ų44.267%0.66924%0.237SC*.Hα-helixtrans-71.2-24.4-179.200000113.2L252 D253 A254L252-A256 PolarHBondContact O-N 2.96Å; L252-A256 VanDerWaalsContact O-N 3.16Å; D253-A256 WeakPolarHBondContact O-CB 3.38Å; D253-A256 PolarHBondContact O-N 2.74Å; D253-A256 VanDerWaalsContact O-N 3.12Å; A254-A256 VanDerWaalsContact C-N 3.28Å; A254-A256 PolarHBondContact O-N 3.13Å
257H98.1Very high98.4Very high52 Ų5243.6 Ų43.624%0.24123%0.233CC..Hα-helixtrans-102.61.7178-61.195.7000113.6Y30 D253 A254 K255Y30-H257 WeakPolarHBondContact CB-O 3.28Å; Y30-H257 HydrophobicContact CD2-CB 4.13Å; Y30-H257 WeakPolarHBondContact CD2-O 3.41Å; D253-H257 PolarHBondContact O-N 2.78Å; D253-H257 PolarHBondContact O-ND1 3.08Å; D253-H257 IonicContact OD1-CE1 3.48Å; D253-H257 PolarHBondContact OD1-CE1 3.14Å; D253-H257 VanDerWaalsContact OD1-CE1 3.26Å; D253-H257 IonicContact OD1-ND1 3.26Å; A254-H257 CarbonylContact O-C 3.48Å; A254-H257 PolarHBondContact O-N 2.69Å; K255-H257 VanDerWaalsContact C-N 3.29Å; K255-H257 PolarHBondContact O-N 3.37Å
258S98.2Very high98.4Very high25 Ų2546.9 Ų46.918%0.17525%0.251CS..  trans-55.5139.2178.8-63.60000111.3A254 K255 S264A254-S258 PolarHBondContact O-N 2.77Å; A254-S258 PolarHBondContact O-OG 2.76Å; K255-S258 WeakPolarHBondContact CA-OG 3.48Å; K255-S258 WeakPolarHBondContact O-CB 3.48Å; K255-S258 PolarHBondContact O-N 3.48Å; K255-S258 PolarHBondContact O-OG 3.42Å; S258-S264 PolarHBondContact OG-N 3.09Å
259L97.6Very high98.4Very high63 Ų6348 Ų4833%0.3326%0.255SS..SBendtrans-84.6-19.2-174.8-53.8174.3000111.9M26 E27 Y30 E263 V297M26-L259 HydrophobicContact CB-CD2 4.37Å; E27-L259 HydrophobicContact CB-CD1 4.45Å; E27-L259 HydrophobicContact CG-CD1 3.67Å; E27-L259 HydrophobicContact CG-CD2 4.08Å; Y30-L259 HydrophobicContact CD1-CD1 3.84Å; Y30-L259 HydrophobicContact CD1-CG 3.79Å; Y30-L259 HydrophobicContact CE1-CD1 4.44Å; Y30-L259 HydrophobicContact CE1-CG 4.39Å; Y30-L259 HydrophobicContact CG-CG 4.21Å; L259-E263 VanDerWaalsContact CA-OE2 3.27Å; L259-E263 WeakPolarHBondContact CA-OE2 3.42Å; L259-E263 VanDerWaalsContact CB-OE2 3.26Å; L259-E263 WeakPolarHBondContact CB-OE2 3.33Å; L259-E263 PolarHBondContact N-OE2 3.35Å; L259-V297 HydrophobicContact CD1-CB 4.47Å; L259-V297 HydrophobicContact CD1-CG2 4.21Å
260N97.8Very high98.4Very high56 Ų5643.8 Ų43.830%0.29923%0.232SC..SBendtrans-144.3173.2174.775.261.8000113.1I262 E263 S264 D292N260-I262 WeakPolarHBondContact OD1-CA 3.46Å; N260-I262 VanDerWaalsContact OD1-CB 3.29Å; N260-I262 WeakPolarHBondContact OD1-CB 3.5Å; N260-I262 PolarHBondContact OD1-N 2.99Å; N260-E263 PolarHBondContact N-OE2 3.25Å; N260-E263 PolarHBondContact OD1-N 3.4Å; N260-S264 PolarHBondContact O-N 3.25Å; N260-D292 PolarHBondContact ND2-OD1 2.99Å
261K98Very high98.4Very high153 Ų15344.1 Ų44.167%0.66524%0.235SC*.Hα-helixtrans-67.8-36.2-177.1-174.5-179.1170.5-161.20112.8S264 E265K261-S264 PolarHBondContact O-N 2.83Å; K261-E265 WeakPolarHBondContact CE-OE1 3.42Å; K261-E265 IonicContact NZ-OE1 3.41Å; K261-E265 PolarHBondContact NZ-OE1 3.1Å; K261-E265 WeakPolarHBondContact O-CG 3.46Å; K261-E265 PolarHBondContact O-N 2.81Å
262I98.1Very high98.4Very high56 Ų5648.5 Ų48.529%0.28726%0.256SS..Hα-helixtrans-64.6-46.6-179.8-58.7176.8000109.5N260 S264 E265 M266 L288 D292N260-I262 WeakPolarHBondContact OD1-CA 3.46Å; N260-I262 VanDerWaalsContact OD1-CB 3.29Å; N260-I262 WeakPolarHBondContact OD1-CB 3.5Å; N260-I262 PolarHBondContact OD1-N 2.99Å; I262-S264 VanDerWaalsContact C-N 3.32Å; I262-S264 PolarHBondContact O-N 2.84Å; I262-E265 PolarHBondContact O-N 3.44Å; I262-M266 VanDerWaalsContact O-CB 3.29Å; I262-M266 WeakPolarHBondContact O-CB 3.3Å; I262-M266 PolarHBondContact O-N 3.23Å; I262-L288 HydrophobicContact CG2-CB 3.96Å; I262-L288 HydrophobicContact CG2-CD2 4.32Å; I262-L288 VanDerWaalsContact CG2-O 3.23Å; I262-L288 WeakPolarHBondContact CG2-O 3.03Å; I262-D292 HydrophobicContact CB-CB 4.43Å; I262-D292 HydrophobicContact CG2-CB 3.89Å
263E98.3Very high98.4Very high2 Ų244.9 Ų44.91%0.00924%0.237CC..Hα-helixtrans-58.6-43.1174.3-70.3173.1145.800111.9Y30 L259 N260 E265 M266 W267 D292Y30-E263 WeakPolarHBondContact CE1-OE1 3.47Å; L259-E263 VanDerWaalsContact CA-OE2 3.27Å; L259-E263 WeakPolarHBondContact CA-OE2 3.42Å; L259-E263 VanDerWaalsContact CB-OE2 3.26Å; L259-E263 WeakPolarHBondContact CB-OE2 3.33Å; L259-E263 PolarHBondContact N-OE2 3.35Å; N260-E263 PolarHBondContact N-OE2 3.25Å; N260-E263 PolarHBondContact OD1-N 3.4Å; E263-E265 PolarHBondContact O-N 3.08Å; E263-M266 WeakPolarHBondContact O-CB 3.45Å; E263-M266 PolarHBondContact O-N 2.93Å; E263-W267 VanDerWaalsContact O-CD1 3.22Å; E263-W267 PolarHBondContact O-N 3.39Å; E263-D292 WeakPolarHBondContact CG-OD2 3Å
264S98.5Very high98.4Very high34 Ų3442.5 Ų42.524%0.23822%0.224CC..Hα-helixtrans-63.3-42178.5-164.90000112.4K255 S258 N260 K261 I262 D268K255-S264 WeakPolarHBondContact CG-O 3.5Å; K255-S264 VanDerWaalsContact CG-OG 3.28Å; K255-S264 WeakPolarHBondContact CG-OG 3.35Å; K255-S264 PolarHBondContact O-OG 3.23Å; S258-S264 PolarHBondContact OG-N 3.09Å; N260-S264 PolarHBondContact O-N 3.25Å; K261-S264 PolarHBondContact O-N 2.83Å; I262-S264 VanDerWaalsContact C-N 3.32Å; I262-S264 PolarHBondContact O-N 2.84Å; S264-D268 PolarHBondContact O-N 3.47Å
265E98.6Very high98.4Very high77 Ų7744.1 Ų44.136%0.3624%0.235SC..Hα-helixtrans-69.1-38.7175.1-71.4179.3170.500111.6K261 I262 E263 W267 D268 H269 L288K261-E265 WeakPolarHBondContact CE-OE1 3.42Å; K261-E265 IonicContact NZ-OE1 3.41Å; K261-E265 PolarHBondContact NZ-OE1 3.1Å; K261-E265 WeakPolarHBondContact O-CG 3.46Å; K261-E265 PolarHBondContact O-N 2.81Å; I262-E265 PolarHBondContact O-N 3.44Å; E263-E265 PolarHBondContact O-N 3.08Å; E265-W267 PolarHBondContact O-N 3.37Å; E265-D268 WeakPolarHBondContact O-CB 3.12Å; E265-D268 PolarHBondContact O-N 2.9Å; E265-H269 PolarHBondContact O-CD2 3.43Å; E265-H269 VanDerWaalsContact O-CD2 3.25Å; E265-H269 PolarHBondContact O-N 3.44Å; E265-H269 VanDerWaalsContact O-N 3.08Å; E265-L288 HydrophobicContact CB-CD1 3.7Å
266M98.3Very high98.4Very high1 Ų142.7 Ų42.71%0.00523%0.232CC..Hα-helixtrans-58.4-48.4174.8175-171.175.700111.3I262 E263 D268 H269 Y270 A285 L288 W289I262-M266 VanDerWaalsContact O-CB 3.29Å; I262-M266 WeakPolarHBondContact O-CB 3.3Å; I262-M266 PolarHBondContact O-N 3.23Å; E263-M266 WeakPolarHBondContact O-CB 3.45Å; E263-M266 PolarHBondContact O-N 2.93Å; M266-D268 VanDerWaalsContact C-N 3.3Å; M266-D268 PolarHBondContact O-N 2.87Å; M266-H269 PolarHBondContact O-N 3Å; M266-Y270 HydrophobicContact CE-CE2 3.92Å; M266-Y270 HydrophobicContact CG-CD2 3.97Å; M266-Y270 HydrophobicContact CG-CE2 3.37Å; M266-Y270 PolarHBondContact O-N 3.27Å; M266-Y270 HydrophobicContact SD-CE2 3.74Å; M266-A285 HydrophobicContact CG-CB 4.14Å; M266-L288 HydrophobicContact CB-CB 4.16Å; M266-L288 HydrophobicContact CB-CD1 4.48Å; M266-W289 HydrophobicContact CG-CB 4.46Å; M266-W289 HydrophobicContact SD-CB 3.61Å; M266-W289 HydrophobicContact SD-CG 3.99Å
267W98.7Very high98.4Very high2 Ų239 Ų391%0.00820%0.202CC..Hα-helixtrans-65.9-29.9177.1-81.2112000113.6Y30 C34 A37 A254 K255 E263 E265 Y270 A271 N299 I301Y30-W267 AromaticContact CE2-NE1 3.52Å; Y30-W267 AromaticContact CZ-NE1 3.66Å; Y30-W267 PolarHBondContact OH-NE1 3.21Å; C34-W267 HydrophobicContact CB-CZ2 4.19Å; C34-W267 VanDerWaalsContact SG-CZ2 3.54Å; A37-W267 HydrophobicContact CB-CH2 4.01Å; A37-W267 HydrophobicContact CB-CZ3 4.2Å; A254-W267 HydrophobicContact CB-CD2 3.53Å; A254-W267 VanDerWaalsContact CB-CE2 3.41Å; A254-W267 HydrophobicContact CB-CE3 3.92Å; A254-W267 HydrophobicContact CB-CG 4.01Å; A254-W267 HydrophobicContact CB-CH2 4.06Å; A254-W267 HydrophobicContact CB-CZ2 3.7Å; A254-W267 HydrophobicContact CB-CZ3 4.16Å; K255-W267 HydrophobicContact CB-CB 3.81Å; E263-W267 VanDerWaalsContact O-CD1 3.22Å; E263-W267 PolarHBondContact O-N 3.39Å; E265-W267 PolarHBondContact O-N 3.37Å; W267-Y270 HydrophobicContact CD2-CD2 4.07Å; W267-Y270 AromaticContact CE3-CD2 3.75Å; W267-Y270 HydrophobicContact CE3-CD2 3.75Å; W267-Y270 HydrophobicContact CE3-CG 4.47Å; W267-Y270 HydrophobicContact CZ3-CD2 4.11Å; W267-Y270 PolarHBondContact O-N 2.78Å; W267-A271 WeakPolarHBondContact O-CB 3.5Å; W267-A271 PolarHBondContact O-N 2.95Å; W267-N299 VanDerWaalsContact CZ2-OD1 3.24Å; W267-N299 WeakPolarHBondContact CZ2-OD1 3.38Å; W267-I301 HydrophobicContact CH2-CG2 3.94Å; W267-I301 HydrophobicContact CZ3-CG2 3.92Å
268D98.6Very high98.4Very high70 Ų7038.2 Ų38.237%0.37420%0.202SC..Hα-helixtrans-63.5-44.5172-157.655.5000111.3K255 S264 E265 M266 A271 Q272K255-D268 HydrophobicContact CD-CB 4.27Å; K255-D268 IonicContact NZ-OD1 3.59Å; K255-D268 PolarHBondContact NZ-OD1 3.33Å; K255-D268 IonicContact NZ-OD2 3.38Å; S264-D268 PolarHBondContact O-N 3.47Å; E265-D268 WeakPolarHBondContact O-CB 3.12Å; E265-D268 PolarHBondContact O-N 2.9Å; M266-D268 VanDerWaalsContact C-N 3.3Å; M266-D268 PolarHBondContact O-N 2.87Å; D268-A271 WeakPolarHBondContact O-CB 3.37Å; D268-A271 PolarHBondContact O-N 2.89Å; D268-Q272 PolarHBondContact O-N 3.16Å
269H98.8Very high98.2Very high46 Ų4637.7 Ų37.721%0.21320%0.197CC..Hα-helixtrans-68.6-36.2176-78.9-67000113E265 M266 Q272 S273 A281 A285E265-H269 PolarHBondContact O-CD2 3.43Å; E265-H269 VanDerWaalsContact O-CD2 3.25Å; E265-H269 PolarHBondContact O-N 3.44Å; E265-H269 VanDerWaalsContact O-N 3.08Å; M266-H269 PolarHBondContact O-N 3Å; H269-Q272 PolarHBondContact O-N 2.97Å; H269-S273 WeakPolarHBondContact O-CB 3.38Å; H269-S273 PolarHBondContact O-N 3.42Å; H269-A281 WeakPolarHBondContact CB-O 3.39Å; H269-A285 HydrophobicContact CB-CB 3.65Å
270Y98.8Very high98.2Very high0 Ų039.6 Ų39.60%021%0.208CC..Hα-helixtrans-61.9-45.6170-69.2-37.4000111.8M266 W267 Q272 S273 F274 H282 A285 Y300 I301M266-Y270 HydrophobicContact CE-CE2 3.92Å; M266-Y270 HydrophobicContact CG-CD2 3.97Å; M266-Y270 HydrophobicContact CG-CE2 3.37Å; M266-Y270 PolarHBondContact O-N 3.27Å; M266-Y270 HydrophobicContact SD-CE2 3.74Å; W267-Y270 HydrophobicContact CD2-CD2 4.07Å; W267-Y270 AromaticContact CE3-CD2 3.75Å; W267-Y270 HydrophobicContact CE3-CD2 3.75Å; W267-Y270 HydrophobicContact CE3-CG 4.47Å; W267-Y270 HydrophobicContact CZ3-CD2 4.11Å; W267-Y270 PolarHBondContact O-N 2.78Å; Y270-Q272 VanDerWaalsContact C-N 3.29Å; Y270-Q272 PolarHBondContact O-N 2.8Å; Y270-S273 WeakPolarHBondContact O-CB 3.43Å; Y270-S273 PolarHBondContact O-N 2.82Å; Y270-F274 WeakPolarHBondContact O-CD2 3.45Å; Y270-F274 WeakPolarHBondContact O-CG 3.45Å; Y270-F274 PolarHBondContact O-N 2.91Å; Y270-H282 AromaticContact CD1-CD2 3.74Å; Y270-H282 AromaticContact CE1-CD2 3.76Å; Y270-H282 AromaticContact CE1-NE2 3.62Å; Y270-A285 HydrophobicContact CD1-CB 3.37Å; Y270-A285 HydrophobicContact CD2-CB 4.5Å; Y270-A285 HydrophobicContact CE1-CB 3.21Å; Y270-A285 HydrophobicContact CE2-CB 4.38Å; Y270-A285 HydrophobicContact CG-CB 4.02Å; Y270-Y300 WeakPolarHBondContact OH-CD2 3.45Å; Y270-Y300 VanDerWaalsContact OH-CE2 3.29Å; Y270-Y300 WeakPolarHBondContact OH-CE2 3.3Å; Y270-I301 HydrophobicContact CD1-CG2 4.42Å; Y270-I301 HydrophobicContact CD2-CG2 3.81Å; Y270-I301 HydrophobicContact CE2-CG2 3.9Å; Y270-I301 HydrophobicContact CG-CG2 4.1Å
271A98.8Very high98.2Very high7 Ų737.1 Ų37.16%0.05820%0.195CC..Hα-helixtrans-58.1-42.7174.600000111.3V248 L252 W267 D268 C275V248-A271 HydrophobicContact CG1-CB 4.48Å; L252-A271 HydrophobicContact CD2-CB 4.31Å; W267-A271 WeakPolarHBondContact O-CB 3.5Å; W267-A271 PolarHBondContact O-N 2.95Å; D268-A271 WeakPolarHBondContact O-CB 3.37Å; D268-A271 PolarHBondContact O-N 2.89Å; A271-C275 WeakPolarHBondContact O-CB 3.38Å; A271-C275 PolarHBondContact O-N 2.73Å
272Q98.8Very high98.2Very high92 Ų9230 Ų3043%0.4316%0.164SC..Hα-helixtrans-62.9-44.3175.8-174-177.19.400112.3D268 H269 Y270 C275 T276 A281D268-Q272 PolarHBondContact O-N 3.16Å; H269-Q272 PolarHBondContact O-N 2.97Å; Y270-Q272 VanDerWaalsContact C-N 3.29Å; Y270-Q272 PolarHBondContact O-N 2.8Å; Q272-C275 PolarHBondContact O-N 2.73Å; Q272-T276 WeakPolarHBondContact O-CB 3.36Å; Q272-T276 PolarHBondContact O-N 2.69Å; Q272-T276 PolarHBondContact O-OG1 3.1Å; Q272-A281 HydrophobicContact CB-CB 4.17Å; Q272-A281 HydrophobicContact CG-CB 4.04Å
273S98.8Very high98.2Very high6 Ų628 Ų284%0.04215%0.153CC..Hα-helixtrans-58.5-52.7175.9173.20000111.3H269 Y270 C275 T276 G277 S278H269-S273 WeakPolarHBondContact O-CB 3.38Å; H269-S273 PolarHBondContact O-N 3.42Å; Y270-S273 WeakPolarHBondContact O-CB 3.43Å; Y270-S273 PolarHBondContact O-N 2.82Å; S273-C275 VanDerWaalsContact C-N 3.29Å; S273-C275 PolarHBondContact O-N 3.42Å; S273-T276 PolarHBondContact O-N 3.07Å; S273-G277 VanDerWaalsContact O-CA 3.3Å; S273-G277 WeakPolarHBondContact O-CA 3.44Å; S273-G277 PolarHBondContact O-N 3.1Å; S273-S278 PolarHBondContact OG-O 3.4Å
274F98.8Very high98.2Very high4 Ų430.8 Ų30.82%0.01817%0.168CC..Hα-helixtrans-67-29.5179.6-57.7-36.1000112.9S214 A215 M244 L247 V248 Y270 I301 F317S214-F274 CarbonylContact C-O 3.36Å; S214-F274 WeakPolarHBondContact CA-O 3.47Å; A215-F274 PolarHBondContact N-O 3.47Å; M244-F274 HydrophobicContact SD-CB 4.15Å; M244-F274 HydrophobicContact SD-CD1 4.2Å; M244-F274 HydrophobicContact SD-CG 4.43Å; L247-F274 HydrophobicContact CB-CB 4.34Å; L247-F274 HydrophobicContact CB-CD2 3.92Å; L247-F274 HydrophobicContact CB-CG 4.19Å; V248-F274 HydrophobicContact CG2-CB 3.99Å; Y270-F274 WeakPolarHBondContact O-CD2 3.45Å; Y270-F274 WeakPolarHBondContact O-CG 3.45Å; Y270-F274 PolarHBondContact O-N 2.91Å; F274-I301 HydrophobicContact CE2-CD1 4.49Å; F274-I301 HydrophobicContact CE2-CG1 4.44Å; F274-I301 HydrophobicContact CE2-CG2 4.36Å; F274-I301 HydrophobicContact CZ-CD1 4.5Å; F274-I301 HydrophobicContact CZ-CG1 4Å; F274-I301 HydrophobicContact CZ-CG2 4.16Å; F274-F317 HydrophobicContact CE1-CE2 4.19Å; F274-F317 HydrophobicContact CZ-CE2 4.45Å
275C98.8Very high98.2Very high35 Ų3529.2 Ų29.224%0.23616%0.157CC..Hα-helixtrans-69.4-51.5175.4-172.20000111.6A215 E216 V248 A271 Q272 S273A215-C275 PolarHBondContact N-O 2.89Å; A215-C275 VanDerWaalsContact N-O 3.17Å; E216-C275 WeakPolarHBondContact CB-O 3.42Å; E216-C275 WeakPolarHBondContact CG-O 3.2Å; E216-C275 PolarHBondContact N-O 3.06Å; V248-C275 HydrophobicContact CG2-CB 3.82Å; A271-C275 WeakPolarHBondContact O-CB 3.38Å; A271-C275 PolarHBondContact O-N 2.73Å; Q272-C275 PolarHBondContact O-N 2.73Å; S273-C275 VanDerWaalsContact C-N 3.29Å; S273-C275 PolarHBondContact O-N 3.42Å
276T98.5Very high98.1Very high35 Ų3525.5 Ų25.522%0.21514%0.14CC..Hα-helixtrans-102.2-16.1-164.864.20000114.8Y237 Q272 S273 S278Y237-T276 VanDerWaalsContact CD1-O 3.3Å; Y237-T276 WeakPolarHBondContact CD1-O 3.42Å; Y237-T276 WeakPolarHBondContact CE1-O 3.48Å; Q272-T276 WeakPolarHBondContact O-CB 3.36Å; Q272-T276 PolarHBondContact O-N 2.69Å; Q272-T276 PolarHBondContact O-OG1 3.1Å; S273-T276 PolarHBondContact O-N 3.07Å; T276-S278 WeakPolarHBondContact OG1-CB 3.35Å; T276-S278 PolarHBondContact OG1-N 3.14Å
277G97.9Very high98.1Very high4 Ų428.1 Ų28.14%0.04115%0.15CC..  trans78.317.1-172.200000114.1N194 A213 S273 L279N194-G277 PolarHBondContact ND2-O 3.15Å; A213-G277 WeakPolarHBondContact O-CA 3.27Å; S273-G277 VanDerWaalsContact O-CA 3.3Å; S273-G277 WeakPolarHBondContact O-CA 3.44Å; S273-G277 PolarHBondContact O-N 3.1Å; G277-L279 PolarHBondContact O-N 3.34Å
278S97.4Very high98.1Very high35 Ų3529.3 Ų29.325%0.24516%0.156CC..  trans-80.1114.3-177.6177.80000112.2S273 T276 D280 A281 H282S273-S278 PolarHBondContact OG-O 3.4Å; T276-S278 WeakPolarHBondContact OG1-CB 3.35Å; T276-S278 PolarHBondContact OG1-N 3.14Å; S278-D280 VanDerWaalsContact C-N 3.29Å; S278-D280 PolarHBondContact OG-N 2.86Å; S278-A281 PolarHBondContact O-N 3.29Å; S278-A281 PolarHBondContact OG-N 3.1Å; S278-A281 VanDerWaalsContact OG-N 3.14Å; S278-H282 PolarHBondContact O-N 3.2Å
279L95.5Very high98Very high14 Ų1426 Ų267%0.07314%0.138CC..Hα-helixtrans-66.8-31168.5-71.1178.6000112.2E191 N194 G277 A281 H282 K283E191-L279 HydrophobicContact CB-CD1 3.99Å; E191-L279 WeakPolarHBondContact O-CD1 3.11Å; N194-L279 HydrophobicContact CB-CD2 4.05Å; G277-L279 PolarHBondContact O-N 3.34Å; L279-A281 VanDerWaalsContact C-N 3.32Å; L279-A281 PolarHBondContact O-N 2.87Å; L279-H282 CarbonylContact O-C 3.54Å; L279-H282 WeakPolarHBondContact O-CA 3.31Å; L279-H282 WeakPolarHBondContact O-CB 3.36Å; L279-H282 PolarHBondContact O-N 2.91Å; L279-H282 VanDerWaalsContact O-N 3.08Å; L279-K283 WeakPolarHBondContact O-CG 3.48Å; L279-K283 PolarHBondContact O-N 3Å
280D96Very high97.8Very high103 Ų10323.9 Ų23.955%0.55113%0.128SC*.Hα-helixtrans-61.7-40.6175.7-67.6-32.5000111.6S278 H282 K283 D284S278-D280 VanDerWaalsContact C-N 3.29Å; S278-D280 PolarHBondContact OG-N 2.86Å; D280-H282 VanDerWaalsContact C-N 3.31Å; D280-H282 PolarHBondContact O-N 2.94Å; D280-K283 WeakPolarHBondContact O-CB 3.5Å; D280-K283 PolarHBondContact O-N 3.18Å; D280-D284 PolarHBondContact O-N 2.88Å
281A98.2Very high97.6Very high3 Ų328.8 Ų28.83%0.02515%0.15CC..Hα-helixtrans-63.4-37.6173.300000111.7H269 Q272 S278 L279 D284 A285H269-A281 WeakPolarHBondContact CB-O 3.39Å; Q272-A281 HydrophobicContact CB-CB 4.17Å; Q272-A281 HydrophobicContact CG-CB 4.04Å; S278-A281 PolarHBondContact O-N 3.29Å; S278-A281 PolarHBondContact OG-N 3.1Å; S278-A281 VanDerWaalsContact OG-N 3.14Å; L279-A281 VanDerWaalsContact C-N 3.32Å; L279-A281 PolarHBondContact O-N 2.87Å; A281-D284 PolarHBondContact O-N 3.02Å; A281-A285 PolarHBondContact O-N 3.19Å
282H98.4Very high97.4Very high4 Ų429 Ų292%0.01915%0.15CC..Hα-helixtrans-67.9-38.1174.3-165.6-90.2000112.4Y270 S278 L279 D280 A285 S286 Y300 I301 Y384Y270-H282 AromaticContact CD1-CD2 3.74Å; Y270-H282 AromaticContact CE1-CD2 3.76Å; Y270-H282 AromaticContact CE1-NE2 3.62Å; S278-H282 PolarHBondContact O-N 3.2Å; L279-H282 CarbonylContact O-C 3.54Å; L279-H282 WeakPolarHBondContact O-CA 3.31Å; L279-H282 WeakPolarHBondContact O-CB 3.36Å; L279-H282 PolarHBondContact O-N 2.91Å; L279-H282 VanDerWaalsContact O-N 3.08Å; D280-H282 VanDerWaalsContact C-N 3.31Å; D280-H282 PolarHBondContact O-N 2.94Å; H282-A285 PolarHBondContact O-N 3.35Å; H282-S286 WeakPolarHBondContact O-CB 3.48Å; H282-S286 PolarHBondContact O-N 2.99Å; H282-S286 PolarHBondContact O-OG 2.95Å; H282-Y300 AromaticContact CE1-CZ 3.9Å; H282-Y300 PolarHBondContact CE1-OH 3.48Å; H282-I301 PolarHBondContact NE2-O 2.94Å; H282-Y384 AromaticContact ND1-CE2 3.37Å; H282-Y384 WeakPolarHBondContact ND1-CE2 3.44Å; H282-Y384 AromaticContact ND1-CZ 3.53Å; H282-Y384 PolarHBondContact ND1-OH 3.14Å
283K97.2Very high97Very high14 Ų1429.8 Ų29.86%0.06115%0.152CC..Hα-helixtrans-61-43.7171.2-72.1174.8177.8176.80111E191 L279 D280 S286 R287 Y384 V387E191-K283 IonicContact OE1-NZ 2.94Å; E191-K283 PolarHBondContact OE1-NZ 3.35Å; E191-K283 IonicContact OE2-NZ 3.45Å; E191-K283 PolarHBondContact OE2-NZ 3.29Å; L279-K283 WeakPolarHBondContact O-CG 3.48Å; L279-K283 PolarHBondContact O-N 3Å; D280-K283 WeakPolarHBondContact O-CB 3.5Å; D280-K283 PolarHBondContact O-N 3.18Å; K283-S286 CarbonylContact O-C 3.39Å; K283-S286 WeakPolarHBondContact O-CA 3.22Å; K283-S286 WeakPolarHBondContact O-CB 3.37Å; K283-S286 PolarHBondContact O-N 3.1Å; K283-S286 VanDerWaalsContact O-N 3.1Å; K283-R287 WeakPolarHBondContact O-CG 3.29Å; K283-R287 PolarHBondContact O-N 3.39Å; K283-Y384 HydrophobicContact CB-CD2 4.49Å; K283-Y384 HydrophobicContact CD-CD1 4.13Å; K283-Y384 HydrophobicContact CD-CE1 4.34Å; K283-Y384 HydrophobicContact CD-CG 4.41Å; K283-Y384 HydrophobicContact CG-CD1 3.7Å; K283-Y384 HydrophobicContact CG-CD2 3.75Å; K283-Y384 HydrophobicContact CG-CE1 3.74Å; K283-Y384 HydrophobicContact CG-CE2 3.82Å; K283-Y384 HydrophobicContact CG-CG 3.7Å; K283-V387 HydrophobicContact CB-CG2 4.36Å
284D98.3Very high96.4Very high61 Ų6131.8 Ų31.833%0.32617%0.174SC..Hα-helixtrans-61.9-44.1176.3-73.5-24.8000112.2D280 A281 S286 R287 L288D280-D284 PolarHBondContact O-N 2.88Å; A281-D284 PolarHBondContact O-N 3.02Å; D284-S286 VanDerWaalsContact C-N 3.28Å; D284-S286 PolarHBondContact O-N 3.28Å; D284-R287 PolarHBondContact O-N 3.42Å; D284-R287 IonicContact OD1-CZ 3.59Å; D284-R287 IonicContact OD1-NH1 3.42Å; D284-R287 PolarHBondContact OD1-NH1 3.25Å; D284-L288 PolarHBondContact O-N 2.85Å; D284-L288 VanDerWaalsContact O-N 3.09Å
285A98.5Very high96.2Very high0 Ų032 Ų320%018%0.175CC..Hα-helixtrans-58.5-42171.200000111.5M266 H269 Y270 A281 H282 R287 L288 W289M266-A285 HydrophobicContact CG-CB 4.14Å; H269-A285 HydrophobicContact CB-CB 3.65Å; Y270-A285 HydrophobicContact CD1-CB 3.37Å; Y270-A285 HydrophobicContact CD2-CB 4.5Å; Y270-A285 HydrophobicContact CE1-CB 3.21Å; Y270-A285 HydrophobicContact CE2-CB 4.38Å; Y270-A285 HydrophobicContact CG-CB 4.02Å; A281-A285 PolarHBondContact O-N 3.19Å; H282-A285 PolarHBondContact O-N 3.35Å; A285-R287 PolarHBondContact O-N 3.29Å; A285-L288 PolarHBondContact O-N 3.4Å; A285-W289 WeakPolarHBondContact O-CB 3.42Å; A285-W289 PolarHBondContact O-N 3.41Å
286S98Very high95.9Very high0 Ų032.2 Ų32.20%018%0.175CC..Hα-helixtrans-65.1-38178.2-54.60000112.4H282 K283 D284 L288 W289 V290 Y300H282-S286 WeakPolarHBondContact O-CB 3.48Å; H282-S286 PolarHBondContact O-N 2.99Å; H282-S286 PolarHBondContact O-OG 2.95Å; K283-S286 CarbonylContact O-C 3.39Å; K283-S286 WeakPolarHBondContact O-CA 3.22Å; K283-S286 WeakPolarHBondContact O-CB 3.37Å; K283-S286 PolarHBondContact O-N 3.1Å; K283-S286 VanDerWaalsContact O-N 3.1Å; D284-S286 VanDerWaalsContact C-N 3.28Å; D284-S286 PolarHBondContact O-N 3.28Å; S286-L288 VanDerWaalsContact C-N 3.34Å; S286-W289 PolarHBondContact O-N 3.29Å; S286-V290 WeakPolarHBondContact O-CG2 3.3Å; S286-V290 PolarHBondContact O-N 3.12Å; S286-Y300 PolarHBondContact OG-OH 3.39Å
287R97.7Very high95.8Very high55 Ų5530.5 Ų30.521%0.20817%0.165CC..Hα-helixtrans-63-40.5174.2-68.5177.9-173.9104.67.8111.4K283 D284 A285 K291 D386 V387 D391K283-R287 WeakPolarHBondContact O-CG 3.29Å; K283-R287 PolarHBondContact O-N 3.39Å; D284-R287 PolarHBondContact O-N 3.42Å; D284-R287 IonicContact OD1-CZ 3.59Å; D284-R287 IonicContact OD1-NH1 3.42Å; D284-R287 PolarHBondContact OD1-NH1 3.25Å; A285-R287 PolarHBondContact O-N 3.29Å; R287-K291 WeakPolarHBondContact O-CD 3.09Å; R287-K291 VanDerWaalsContact O-CG 3.3Å; R287-K291 WeakPolarHBondContact O-CG 3.47Å; R287-K291 PolarHBondContact O-N 3.29Å; R287-D386 IonicContact NH2-OD2 3.22Å; R287-D386 PolarHBondContact NH2-OD2 3.37Å; R287-V387 HydrophobicContact CG-CB 4.42Å; R287-V387 HydrophobicContact CG-CG1 3.87Å; R287-V387 HydrophobicContact CG-CG2 3.84Å; R287-D391 WeakPolarHBondContact CG-OD2 3.47Å; R287-D391 IonicContact NE-OD2 4Å
288L97.9Very high95.7Very high27 Ų2730.4 Ų30.414%0.14116%0.163CC..Hα-helixtrans-67.6-45.6174.5-70.1170.3000111.1I262 E265 M266 D284 A285 S286 V290 K291 D292I262-L288 HydrophobicContact CG2-CB 3.96Å; I262-L288 HydrophobicContact CG2-CD2 4.32Å; I262-L288 VanDerWaalsContact CG2-O 3.23Å; I262-L288 WeakPolarHBondContact CG2-O 3.03Å; E265-L288 HydrophobicContact CB-CD1 3.7Å; M266-L288 HydrophobicContact CB-CB 4.16Å; M266-L288 HydrophobicContact CB-CD1 4.48Å; D284-L288 PolarHBondContact O-N 2.85Å; D284-L288 VanDerWaalsContact O-N 3.09Å; A285-L288 PolarHBondContact O-N 3.4Å; S286-L288 VanDerWaalsContact C-N 3.34Å; L288-V290 VanDerWaalsContact C-N 3.34Å; L288-V290 PolarHBondContact O-N 3.01Å; L288-K291 CarbonylContact O-C 3.48Å; L288-K291 WeakPolarHBondContact O-CA 3.29Å; L288-K291 WeakPolarHBondContact O-CB 3.2Å; L288-K291 PolarHBondContact O-N 3.29Å; L288-D292 PolarHBondContact O-N 2.95Å
289W97.6Very high95.7Very high1 Ų128.9 Ų28.90%0.00415%0.153CC..Hα-helixtrans-56.4-45.9177.618071.5000112.3M266 A285 S286 K291 D292 E298 N299 Y300 I381 K394M266-W289 HydrophobicContact CG-CB 4.46Å; M266-W289 HydrophobicContact SD-CB 3.61Å; M266-W289 HydrophobicContact SD-CG 3.99Å; A285-W289 WeakPolarHBondContact O-CB 3.42Å; A285-W289 PolarHBondContact O-N 3.41Å; S286-W289 PolarHBondContact O-N 3.29Å; W289-K291 PolarHBondContact O-N 3.16Å; W289-D292 PolarHBondContact O-N 2.88Å; W289-D292 VanDerWaalsContact O-N 3.16Å; W289-E298 PolarHBondContact NE1-OE1 2.97Å; W289-N299 PolarHBondContact NE1-O 2.88Å; W289-Y300 AromaticContact CD2-CD2 3.91Å; W289-Y300 HydrophobicContact CD2-CD2 3.91Å; W289-Y300 HydrophobicContact CD2-CE2 4.27Å; W289-Y300 HydrophobicContact CE3-CD2 4.27Å; W289-Y300 HydrophobicContact CE3-CE2 4.27Å; W289-Y300 HydrophobicContact CG-CD2 4.11Å; W289-Y300 HydrophobicContact CG-CE2 4.49Å; W289-I381 HydrophobicContact CH2-CD1 3.41Å; W289-I381 VanDerWaalsContact CH2-CD1 3.41Å; W289-I381 HydrophobicContact CH2-CG1 3.47Å; W289-I381 VanDerWaalsContact CH2-CG1 3.47Å; W289-I381 HydrophobicContact CZ2-CD1 3.84Å; W289-I381 HydrophobicContact CZ2-CG1 4.36Å; W289-I381 HydrophobicContact CZ3-CD1 4.01Å; W289-I381 HydrophobicContact CZ3-CG1 3.9Å; W289-I381 WeakPolarHBondContact CZ3-O 3.5Å; W289-K394 HydrophobicContact CD2-CD 4.35Å; W289-K394 HydrophobicContact CE3-CD 4.38Å; W289-K394 HydrophobicContact CE3-CG 4.38Å; W289-K394 HydrophobicContact CH2-CB 3.55Å; W289-K394 HydrophobicContact CH2-CD 3.63Å; W289-K394 HydrophobicContact CH2-CG 3.69Å; W289-K394 HydrophobicContact CZ2-CB 4.28Å; W289-K394 HydrophobicContact CZ2-CD 3.59Å; W289-K394 HydrophobicContact CZ2-CG 4.2Å; W289-K394 HydrophobicContact CZ3-CB 3.94Å; W289-K394 HydrophobicContact CZ3-CD 4.03Å; W289-K394 HydrophobicContact CZ3-CG 3.78Å; W289-K394 WeakPolarHBondContact O-CE 3.27Å; W289-K394 PolarHBondContact O-NZ 2.72Å
290V94.5Very high95.9Very high1 Ų128.3 Ų28.31%0.00615%0.15CC..Hα-helixtrans-60.3-31.8175.9168.80000112.2S286 L288 K293 P382 V387 D391 G392S286-V290 WeakPolarHBondContact O-CG2 3.3Å; S286-V290 PolarHBondContact O-N 3.12Å; L288-V290 VanDerWaalsContact C-N 3.34Å; L288-V290 PolarHBondContact O-N 3.01Å; V290-K293 WeakPolarHBondContact O-CE 3.17Å; V290-K293 PolarHBondContact O-NZ 3.01Å; V290-P382 HydrophobicContact CG2-CG 4.22Å; V290-V387 HydrophobicContact CG2-CG1 4.32Å; V290-D391 HydrophobicContact CG1-CB 4.38Å; V290-D391 WeakPolarHBondContact CG1-O 3.14Å; V290-G392 VanDerWaalsContact CG1-C 3.45Å
291K94.4Very high96Very high104 Ų10423.4 Ų23.445%0.45212%0.123SC..Hα-helixtrans-80.3-21.9179.5-70.9166.5-173.1158.70113.2R287 L288 W289 K293 D391R287-K291 WeakPolarHBondContact O-CD 3.09Å; R287-K291 VanDerWaalsContact O-CG 3.3Å; R287-K291 WeakPolarHBondContact O-CG 3.47Å; R287-K291 PolarHBondContact O-N 3.29Å; L288-K291 CarbonylContact O-C 3.48Å; L288-K291 WeakPolarHBondContact O-CA 3.29Å; L288-K291 WeakPolarHBondContact O-CB 3.2Å; L288-K291 PolarHBondContact O-N 3.29Å; W289-K291 PolarHBondContact O-N 3.16Å; K291-K293 PolarHBondContact O-N 2.85Å; K291-K293 VanDerWaalsContact O-N 3.11Å; K291-D391 WeakPolarHBondContact CE-OD1 3.4Å; K291-D391 IonicContact NZ-OD1 2.71Å; K291-D391 PolarHBondContact NZ-OD1 3.24Å
292D94.8Very high96Very high12 Ų1223.3 Ų23.36%0.06412%0.122CC..SBendtrans-7693.3174.8-168.539.7000109.9N260 I262 E263 L288 W289 P295 K394N260-D292 PolarHBondContact ND2-OD1 2.99Å; I262-D292 HydrophobicContact CB-CB 4.43Å; I262-D292 HydrophobicContact CG2-CB 3.89Å; E263-D292 WeakPolarHBondContact CG-OD2 3Å; L288-D292 PolarHBondContact O-N 2.95Å; W289-D292 PolarHBondContact O-N 2.88Å; W289-D292 VanDerWaalsContact O-N 3.16Å; D292-P295 WeakPolarHBondContact OD2-CB 3.38Å; D292-K394 WeakPolarHBondContact O-CE 3.47Å; D292-K394 PolarHBondContact O-NZ 3.43Å
293K89.9Confident96Very high108 Ų10823.7 Ų23.747%0.4712%0.124SC..  trans-90.5130.4-173.5-61.2-55.2-170.1-171.60111.9V290 K291 D361V290-K293 WeakPolarHBondContact O-CE 3.17Å; V290-K293 PolarHBondContact O-NZ 3.01Å; K291-K293 PolarHBondContact O-N 2.85Å; K291-K293 VanDerWaalsContact O-N 3.11Å; K293-D361 WeakPolarHBondContact CA-OD2 3.47Å; K293-D361 HydrophobicContact CD-CB 4.03Å
294G86.5Confident95.9Very high48 Ų4823.3 Ų23.350%0.49512%0.122SC..SBendtrans57.742.8177.500000115.8D361G294-D361 PolarHBondContact N-OD2 3.42Å
295P93.3Very high95.5Very high8 Ų821.7 Ų21.75%0.05211%0.113CC..  trans-62.9145.6175.729.1-34.4000110.5D292 V297 E298 V324D292-P295 WeakPolarHBondContact OD2-CB 3.38Å; P295-V297 VanDerWaalsContact C-N 3.27Å; P295-V297 PolarHBondContact O-N 3.13Å; P295-E298 HydrophobicContact CG-CB 4.31Å; P295-E298 WeakPolarHBondContact CG-OE2 3.25Å; P295-V324 WeakPolarHBondContact O-CG2 3.46Å
296V92.9Very high95Very high39 Ų3923.1 Ų23.124%0.23612%0.122CC..SBendtrans-66.1-36.1176.7178.90000111L23 E27 V324L23-V296 HydrophobicContact CD2-CG1 3.54Å; E27-V296 HydrophobicContact CG-CG1 4.45Å; E27-V296 WeakPolarHBondContact OE1-CG1 3.46Å; V296-V324 PolarHBondContact O-N 3.1Å; V296-V324 VanDerWaalsContact O-N 3.13Å
297V96.3Very high94.4Very high0 Ų029.3 Ų29.30%015%0.146CC..EExtended strand (participates in β ladder)trans-115.7101.2178.6179.80000108.1E27 Y30 V31 L259 P295 V321E27-V297 HydrophobicContact CB-CG2 4.24Å; Y30-V297 HydrophobicContact CD1-CB 3.79Å; Y30-V297 HydrophobicContact CD1-CG1 3.8Å; Y30-V297 HydrophobicContact CD1-CG2 4.28Å; Y30-V297 HydrophobicContact CE1-CB 4.07Å; Y30-V297 HydrophobicContact CE1-CG1 4.04Å; V31-V297 HydrophobicContact CG2-CB 4.24Å; V31-V297 HydrophobicContact CG2-CG1 3.55Å; V31-V297 HydrophobicContact CG2-CG2 3.59Å; L259-V297 HydrophobicContact CD1-CB 4.47Å; L259-V297 HydrophobicContact CD1-CG2 4.21Å; P295-V297 VanDerWaalsContact C-N 3.27Å; P295-V297 PolarHBondContact O-N 3.13Å; V297-V321 HydrophobicContact CG1-CG1 3.97Å
298E96.8Very high93.9Very high1 Ų127.2 Ų27.21%0.00514%0.138CC..EExtended strand (participates in β ladder)trans-88.9138.9177.8-173.364.7-81.200109.9W289 P295 F320 A322 L365 K394W289-E298 PolarHBondContact NE1-OE1 2.97Å; P295-E298 HydrophobicContact CG-CB 4.31Å; P295-E298 WeakPolarHBondContact CG-OE2 3.25Å; E298-F320 HydrophobicContact CB-CE2 4.47Å; E298-F320 HydrophobicContact CG-CE2 3.93Å; E298-F320 HydrophobicContact CG-CZ 4.23Å; E298-A322 PolarHBondContact N-O 2.76Å; E298-A322 PolarHBondContact O-N 3.24Å; E298-L365 HydrophobicContact CB-CD1 3.73Å; E298-L365 HydrophobicContact CB-CD2 4.04Å; E298-L365 HydrophobicContact CG-CD1 3.67Å; E298-K394 IonicContact OE1-NZ 3.52Å; E298-K394 PolarHBondContact OE1-NZ 2.95Å; E298-K394 WeakPolarHBondContact OE2-CD 3.33Å; E298-K394 IonicContact OE2-NZ 3.21Å; E298-K394 PolarHBondContact OE2-NZ 2.91Å
299N97.5Very high93.5Very high3 Ų326.2 Ų26.22%0.01613%0.133CC..EExtended strand (participates in β ladder)trans-153.9153.3-179.36797.2000111.8Y30 W267 W289 F320 V321Y30-N299 PolarHBondContact OH-ND2 3.38Å; W267-N299 VanDerWaalsContact CZ2-OD1 3.24Å; W267-N299 WeakPolarHBondContact CZ2-OD1 3.38Å; W289-N299 PolarHBondContact NE1-O 2.88Å; N299-F320 VanDerWaalsContact CA-O 3.24Å; N299-F320 WeakPolarHBondContact CA-O 3.37Å; N299-F320 WeakPolarHBondContact CB-O 3.04Å; N299-V321 HydrophobicContact CB-CG2 4.41Å
300Y98.2Very high93Very high3 Ų327.9 Ų27.91%0.01214%0.144CC..EExtended strand (participates in β ladder)trans-152.5148.3172.1-163.4-118.8000109.1Y270 H282 S286 W289 I304 S319 F320 I381 P382Y270-Y300 WeakPolarHBondContact OH-CD2 3.45Å; Y270-Y300 VanDerWaalsContact OH-CE2 3.29Å; Y270-Y300 WeakPolarHBondContact OH-CE2 3.3Å; H282-Y300 AromaticContact CE1-CZ 3.9Å; H282-Y300 PolarHBondContact CE1-OH 3.48Å; S286-Y300 PolarHBondContact OG-OH 3.39Å; W289-Y300 AromaticContact CD2-CD2 3.91Å; W289-Y300 HydrophobicContact CD2-CD2 3.91Å; W289-Y300 HydrophobicContact CD2-CE2 4.27Å; W289-Y300 HydrophobicContact CE3-CD2 4.27Å; W289-Y300 HydrophobicContact CE3-CE2 4.27Å; W289-Y300 HydrophobicContact CG-CD2 4.11Å; W289-Y300 HydrophobicContact CG-CE2 4.49Å; Y300-I304 HydrophobicContact CD1-CD1 3.93Å; Y300-I304 HydrophobicContact CD1-CG1 4.1Å; Y300-I304 HydrophobicContact CE1-CD1 3.33Å; Y300-I304 HydrophobicContact CE1-CG1 3.87Å; Y300-I304 HydrophobicContact CE1-CG2 4.06Å; Y300-S319 VanDerWaalsContact O-CA 3.23Å; Y300-S319 WeakPolarHBondContact O-CA 3.47Å; Y300-S319 PolarHBondContact O-OG 2.98Å; Y300-F320 PolarHBondContact N-O 3.38Å; Y300-F320 PolarHBondContact O-N 3.46Å; Y300-F320 VanDerWaalsContact O-N 3.09Å; Y300-I381 HydrophobicContact CD1-CD1 3.43Å; Y300-I381 VanDerWaalsContact CD1-CD1 3.43Å; Y300-I381 HydrophobicContact CD2-CD1 4.39Å; Y300-I381 HydrophobicContact CE1-CB 4.45Å; Y300-I381 HydrophobicContact CE1-CD1 3.93Å; Y300-I381 HydrophobicContact CG-CD1 3.69Å; Y300-P382 WeakPolarHBondContact OH-CB 3.37Å
301I98.6Very high92.7Very high0 Ų029.6 Ų29.60%015%0.153CC..EExtended strand (participates in β ladder)trans-151.7136.4-173.2-174.9161.5000111.5A37 L247 W267 Y270 F274 H282 F317 S319A37-I301 HydrophobicContact CB-CD1 3.82Å; L247-I301 HydrophobicContact CD2-CD1 4.13Å; W267-I301 HydrophobicContact CH2-CG2 3.94Å; W267-I301 HydrophobicContact CZ3-CG2 3.92Å; Y270-I301 HydrophobicContact CD1-CG2 4.42Å; Y270-I301 HydrophobicContact CD2-CG2 3.81Å; Y270-I301 HydrophobicContact CE2-CG2 3.9Å; Y270-I301 HydrophobicContact CG-CG2 4.1Å; F274-I301 HydrophobicContact CE2-CD1 4.49Å; F274-I301 HydrophobicContact CE2-CG1 4.44Å; F274-I301 HydrophobicContact CE2-CG2 4.36Å; F274-I301 HydrophobicContact CZ-CD1 4.5Å; F274-I301 HydrophobicContact CZ-CG1 4Å; F274-I301 HydrophobicContact CZ-CG2 4.16Å; H282-I301 PolarHBondContact NE2-O 2.94Å; I301-F317 HydrophobicContact CD1-CE1 4.35Å; I301-F317 HydrophobicContact CD1-CZ 3.9Å; I301-F317 HydrophobicContact CG1-CE1 3.98Å; I301-F317 HydrophobicContact CG1-CE2 4.47Å; I301-F317 HydrophobicContact CG1-CZ 3.51Å; I301-S319 WeakPolarHBondContact CB-OG 3.34Å
302G98.5Very high92.2Very high0 Ų026.3 Ų26.30%015%0.148CC..EExtended strand (participates in β ladder)trans152.5-160.6171.700000113.7F317 E318G302-F317 CarbonylContact O-C 3.55Å; G302-F317 WeakPolarHBondContact O-CA 3.42Å; G302-E318 PolarHBondContact N-O 2.88Å; G302-E318 PolarHBondContact O-N 3.14Å
303F98.3Very high91.8Very high12 Ų1227.2 Ų27.25%0.05315%0.154CC..EExtended strand (participates in β ladder)trans-91.899171-61.2-91.3000108.4I44 N194 A213 Y240 M244 A315 E316 F317I44-F303 HydrophobicContact CD1-CZ 4.28Å; I44-F303 HydrophobicContact CG2-CE1 4.04Å; I44-F303 HydrophobicContact CG2-CZ 4.37Å; N194-F303 HydrophobicContact CB-CB 4.35Å; N194-F303 HydrophobicContact CB-CD2 3.53Å; N194-F303 HydrophobicContact CB-CE2 3.95Å; N194-F303 HydrophobicContact CB-CG 3.96Å; A213-F303 HydrophobicContact CB-CE1 4.25Å; A213-F303 HydrophobicContact CB-CE2 3.53Å; A213-F303 HydrophobicContact CB-CZ 3.34Å; Y240-F303 HydrophobicContact CD2-CZ 4.2Å; Y240-F303 HydrophobicContact CE2-CE1 4.09Å; Y240-F303 HydrophobicContact CE2-CZ 4.09Å; M244-F303 HydrophobicContact CE-CE2 3.42Å; M244-F303 VanDerWaalsContact CE-CE2 3.42Å; M244-F303 HydrophobicContact CE-CZ 3.37Å; F303-A315 HydrophobicContact CB-CB 3.91Å; F303-A315 WeakPolarHBondContact CD1-O 3.45Å; F303-E316 WeakPolarHBondContact CA-O 3.22Å; F303-F317 HydrophobicContact CD1-CB 4.13Å; F303-F317 HydrophobicContact CD1-CD2 4.35Å; F303-F317 HydrophobicContact CD2-CD2 4.19Å; F303-F317 HydrophobicContact CE1-CB 4.07Å; F303-F317 HydrophobicContact CE1-CD2 4.12Å; F303-F317 AromaticContact CE2-CD2 3.93Å; F303-F317 HydrophobicContact CE2-CD2 3.93Å; F303-F317 HydrophobicContact CE2-CE2 4.46Å; F303-F317 HydrophobicContact CG-CD2 4.39Å; F303-F317 AromaticContact CZ-CD2 3.89Å; F303-F317 HydrophobicContact CZ-CD2 3.89Å
304I95.3Very high91.9Very high6 Ų622.1 Ų22.13%0.03113%0.132CC..EExtended strand (participates in β ladder)trans-108.8-57.9-161.9-49.5-49000112.8Y300 E316 E318 I381 N383Y300-I304 HydrophobicContact CD1-CD1 3.93Å; Y300-I304 HydrophobicContact CD1-CG1 4.1Å; Y300-I304 HydrophobicContact CE1-CD1 3.33Å; Y300-I304 HydrophobicContact CE1-CG1 3.87Å; Y300-I304 HydrophobicContact CE1-CG2 4.06Å; I304-E316 PolarHBondContact N-O 2.86Å; I304-E316 VanDerWaalsContact N-O 3.09Å; I304-E318 HydrophobicContact CB-CG 3.73Å; I304-E318 WeakPolarHBondContact CB-OE1 3.48Å; I304-E318 HydrophobicContact CG1-CG 3.65Å; I304-I381 HydrophobicContact CG2-CG2 4.16Å; I304-N383 PolarHBondContact O-ND2 3.22Å
305E89.8Confident92.3Very high28 Ų2819.8 Ų19.813%0.13111%0.109CC..EExtended strand (participates in β ladder)trans-102.8132.8-170.5-61.8-56.915800112.7Y307 A315 E316 N383E305-Y307 HydrophobicContact CB-CD2 3.69Å; E305-Y307 HydrophobicContact CB-CE2 3.72Å; E305-Y307 HydrophobicContact CG-CD2 4.26Å; E305-Y307 HydrophobicContact CG-CE2 3.81Å; E305-Y307 WeakPolarHBondContact OE2-CE2 3.36Å; E305-Y307 PolarHBondContact OE2-OH 3.29Å; E305-A315 CarbonylContact O-C 3.47Å; E305-A315 WeakPolarHBondContact O-CA 3.46Å; E305-E316 PolarHBondContact O-N 3.32Å; E305-N383 VanDerWaalsContact CD-ND2 3.29Å; E305-N383 PolarHBondContact OE1-ND2 3Å; E305-N383 VanDerWaalsContact OE1-ND2 3.1Å; E305-N383 PolarHBondContact OE2-ND2 3.25Å; E305-N383 VanDerWaalsContact OE2-ND2 3.1Å
306T88.2Confident92.5Very high30 Ų3020 Ų2018%0.18411%0.109CC..  trans-95.59.2-174.562.30000115Y193 R308 D309 G312 R314 A315Y193-T306 HydrophobicContact CD1-CG2 3.66Å; Y193-T306 HydrophobicContact CE1-CG2 3.55Å; T306-R308 VanDerWaalsContact C-N 3.29Å; T306-R308 PolarHBondContact O-N 3.4Å; T306-D309 PolarHBondContact O-N 3.46Å; T306-G312 VanDerWaalsContact CB-O 3.29Å; T306-G312 WeakPolarHBondContact CB-O 3.14Å; T306-G312 PolarHBondContact OG1-O 3.27Å; T306-G312 VanDerWaalsContact OG1-O 3.04Å; T306-R314 WeakPolarHBondContact CA-O 3.45Å; T306-R314 WeakPolarHBondContact CB-O 3.16Å; T306-A315 HydrophobicContact CG2-CB 4.01Å
307Y84.7Confident92.8Very high130 Ų13018.2 Ų18.251%0.5110%0.098SC..THydrogen-bonded Turntrans-59.2-34.3-170-57.1-54000114.9E305E305-Y307 HydrophobicContact CB-CD2 3.69Å; E305-Y307 HydrophobicContact CB-CE2 3.72Å; E305-Y307 HydrophobicContact CG-CD2 4.26Å; E305-Y307 HydrophobicContact CG-CE2 3.81Å; E305-Y307 WeakPolarHBondContact OE2-CE2 3.36Å; E305-Y307 PolarHBondContact OE2-OH 3.29Å
308R88.2Confident92.9Very high11 Ų1118.9 Ų18.94%0.04210%0.101CC..THydrogen-bonded Turntrans-95.4-6.8-171.5-57.6-170.578.3-163.96114.2T49 D108 Y168 T306 P310 E316T49-R308 PolarHBondContact OG1-NH1 3.12Å; D108-R308 IonicContact OD1-CZ 3.6Å; D108-R308 IonicContact OD1-NE 2.9Å; D108-R308 PolarHBondContact OD1-NE 2.94Å; D108-R308 IonicContact OD1-NH2 3.36Å; D108-R308 PolarHBondContact OD1-NH2 3.24Å; Y168-R308 HydrophobicContact CE2-CB 4.39Å; T306-R308 VanDerWaalsContact C-N 3.29Å; T306-R308 PolarHBondContact O-N 3.4Å; R308-P310 WeakPolarHBondContact O-CD 3.43Å; R308-E316 VanDerWaalsContact CD-OE1 3.26Å; R308-E316 WeakPolarHBondContact CD-OE1 3.44Å; R308-E316 IonicContact CZ-OE1 3.59Å; R308-E316 IonicContact NE-OE1 2.68Å; R308-E316 IonicContact NH1-OE1 3.08Å; R308-E316 PolarHBondContact NH1-OE1 3.26Å
309D89.3Confident92.9Very high6 Ų619 Ų193%0.03210%0.102CC..SBendtrans-73.9123.4168.3171.517.2000108.8Y168 Y169 T306 L311 G312 V313 R314Y168-D309 HydrophobicContact CD2-CB 4.38Å; Y168-D309 HydrophobicContact CE2-CB 4.48Å; Y168-D309 HydrophobicContact CG-CB 4.48Å; Y169-D309 WeakPolarHBondContact CE2-OD1 3.41Å; Y169-D309 VanDerWaalsContact CZ-OD1 3.31Å; Y169-D309 PolarHBondContact OH-OD1 3.12Å; Y169-D309 PolarHBondContact OH-OD2 3.03Å; T306-D309 PolarHBondContact O-N 3.46Å; D309-L311 PolarHBondContact O-N 3.08Å; D309-L311 PolarHBondContact OD1-N 2.99Å; D309-G312 WeakPolarHBondContact O-CA 3.2Å; D309-G312 PolarHBondContact O-N 2.93Å; D309-G312 PolarHBondContact OD2-N 2.97Å; D309-V313 WeakPolarHBondContact OD2-CG2 3.26Å; D309-V313 PolarHBondContact OD2-N 2.99Å; D309-R314 HydrophobicContact CB-CB 3.99Å; D309-R314 VanDerWaalsContact CB-O 3.26Å; D309-R314 WeakPolarHBondContact CB-O 3.28Å; D309-R314 WeakPolarHBondContact OD2-CB 3.14Å; D309-R314 PolarHBondContact OD2-N 2.96Å
310P87.3Confident93Very high36 Ų3619 Ų1923%0.23410%0.101CC..THydrogen-bonded Turntrans-54.4-22.4175.1-29.236.2000115.6F160 T166 R308F160-P310 HydrophobicContact CD2-CB 3.59Å; F160-P310 HydrophobicContact CE2-CB 3.55Å; F160-P310 HydrophobicContact CG-CB 4.16Å; F160-P310 HydrophobicContact CZ-CB 4.06Å; T166-P310 HydrophobicContact CG2-CG 4.21Å; R308-P310 WeakPolarHBondContact O-CD 3.43Å
311L87.6Confident93Very high36 Ų3618.8 Ų18.819%0.18810%0.101CC..THydrogen-bonded Turntrans-92.7-17.9171.9-168.659.8000113.6F160 Y169 A178 E179 Q182 D309 V313F160-L311 HydrophobicContact CE2-CB 4.25Å; F160-L311 HydrophobicContact CZ-CB 4.01Å; Y169-L311 VanDerWaalsContact OH-CB 3.26Å; Y169-L311 WeakPolarHBondContact OH-CB 3.16Å; A178-L311 HydrophobicContact CB-CD2 3.87Å; E179-L311 HydrophobicContact CG-CD1 4.11Å; Q182-L311 HydrophobicContact CB-CD2 4.05Å; Q182-L311 HydrophobicContact CG-CD2 4.33Å; D309-L311 PolarHBondContact O-N 3.08Å; D309-L311 PolarHBondContact OD1-N 2.99Å; L311-V313 HydrophobicContact CB-CG2 4.16Å; L311-V313 HydrophobicContact CD2-CG2 3.8Å; L311-V313 HydrophobicContact CG-CG1 4.34Å; L311-V313 HydrophobicContact CG-CG2 4.01Å
312G84.1Confident92.9Very high35 Ų3518.8 Ų18.836%0.36110%0.101SC..SBendtrans78.622179.500000115.6T306 D309T306-G312 VanDerWaalsContact CB-O 3.29Å; T306-G312 WeakPolarHBondContact CB-O 3.14Å; T306-G312 PolarHBondContact OG1-O 3.27Å; T306-G312 VanDerWaalsContact OG1-O 3.04Å; D309-G312 WeakPolarHBondContact O-CA 3.2Å; D309-G312 PolarHBondContact O-N 2.93Å; D309-G312 PolarHBondContact OD2-N 2.97Å
313V86.1Confident92.7Very high32 Ų3218.9 Ų18.919%0.19410%0.101CC..  trans-122.3-22-174.1-60.50000114.2A192 Y193 D309 L311A192-V313 CarbonylContact C-O 3.16Å; A192-V313 HydrophobicContact CB-CB 4.17Å; A192-V313 HydrophobicContact CB-CG2 3.98Å; A192-V313 WeakPolarHBondContact CB-O 3.25Å; Y193-V313 WeakPolarHBondContact CD1-O 3.42Å; D309-V313 WeakPolarHBondContact OD2-CG2 3.26Å; D309-V313 PolarHBondContact OD2-N 2.99Å; L311-V313 HydrophobicContact CB-CG2 4.16Å; L311-V313 HydrophobicContact CD2-CG2 3.8Å; L311-V313 HydrophobicContact CG-CG1 4.34Å; L311-V313 HydrophobicContact CG-CG2 4.01Å
314R93.3Very high92.3Very high0 Ų019.6 Ų19.60%011%0.107CC..SBendtrans-94.9140.4173.8-64.5166.4172.569.713.7109.2Y168 Y169 A192 T195 T306 D309Y168-R314 HydrophobicContact CD1-CB 3.64Å; Y168-R314 HydrophobicContact CD1-CG 4.46Å; Y168-R314 HydrophobicContact CE1-CB 3.92Å; Y168-R314 HydrophobicContact CG-CB 4.48Å; Y169-R314 PolarHBondContact OH-NH1 2.86Å; A192-R314 HydrophobicContact CB-CG 4.09Å; T195-R314 WeakPolarHBondContact O-CD 3.48Å; T195-R314 VanDerWaalsContact O-CG 3.26Å; T195-R314 WeakPolarHBondContact O-CG 3.25Å; T306-R314 WeakPolarHBondContact CA-O 3.45Å; T306-R314 WeakPolarHBondContact CB-O 3.16Å; D309-R314 HydrophobicContact CB-CB 3.99Å; D309-R314 VanDerWaalsContact CB-O 3.26Å; D309-R314 WeakPolarHBondContact CB-O 3.28Å; D309-R314 WeakPolarHBondContact OD2-CB 3.14Å; D309-R314 PolarHBondContact OD2-N 2.96Å
315A94.4Very high91.7Very high0 Ų021.3 Ų21.30%012%0.116CC..PPolyproline II helixtrans-103.4145.5-17300000112.3Q48 Y193 F303 E305 T306Q48-A315 PolarHBondContact NE2-O 3.23Å; Y193-A315 HydrophobicContact CD1-CB 4.13Å; Y193-A315 HydrophobicContact CG-CB 4.27Å; Y193-A315 PolarHBondContact O-N 3.39Å; F303-A315 HydrophobicContact CB-CB 3.91Å; F303-A315 WeakPolarHBondContact CD1-O 3.45Å; E305-A315 CarbonylContact O-C 3.47Å; E305-A315 WeakPolarHBondContact O-CA 3.46Å; T306-A315 HydrophobicContact CG2-CB 4.01Å
316E97.1Very high91.2Very high12 Ų1228.8 Ų28.86%0.05614%0.143CC..EExtended strand (participates in β ladder)trans-72.2141.8168.5-171.3169.8-119.800109Y168 F303 I304 E305 R308 E318 S373Y168-E316 VanDerWaalsContact OH-CA 3.28Å; Y168-E316 WeakPolarHBondContact OH-CA 3.23Å; Y168-E316 WeakPolarHBondContact OH-CB 3.49Å; Y168-E316 PolarHBondContact OH-N 2.85Å; F303-E316 WeakPolarHBondContact CA-O 3.22Å; I304-E316 PolarHBondContact N-O 2.86Å; I304-E316 VanDerWaalsContact N-O 3.09Å; E305-E316 PolarHBondContact O-N 3.32Å; R308-E316 VanDerWaalsContact CD-OE1 3.26Å; R308-E316 WeakPolarHBondContact CD-OE1 3.44Å; R308-E316 IonicContact CZ-OE1 3.59Å; R308-E316 IonicContact NE-OE1 2.68Å; R308-E316 IonicContact NH1-OE1 3.08Å; R308-E316 PolarHBondContact NH1-OE1 3.26Å; E316-E318 PolarHBondContact O-N 3.34Å; E316-S373 WeakPolarHBondContact OE1-CB 3.43Å; E316-S373 PolarHBondContact OE1-OG 2.83Å; E316-S373 WeakPolarHBondContact OE2-CB 3.26Å; E316-S373 PolarHBondContact OE2-OG 3.18Å
317F98.6Very high90.5Very high2 Ų231.5 Ų31.51%0.00916%0.163CC..EExtended strand (participates in β ladder)trans-71.3128.7170.7-168.4-75.5000109.7G41 I44 L247 F274 I301 G302 F303G41-F317 VanDerWaalsContact O-CD1 3.23Å; G41-F317 WeakPolarHBondContact O-CD1 3.35Å; I44-F317 HydrophobicContact CB-CB 3.99Å; I44-F317 HydrophobicContact CB-CG 4.32Å; I44-F317 HydrophobicContact CD1-CD2 3.75Å; I44-F317 HydrophobicContact CD1-CE2 4.11Å; I44-F317 HydrophobicContact CD1-CG 4.17Å; I44-F317 HydrophobicContact CG2-CB 4.01Å; L247-F317 HydrophobicContact CD1-CE2 3.87Å; L247-F317 HydrophobicContact CD1-CZ 4Å; L247-F317 HydrophobicContact CD2-CZ 4.29Å; F274-F317 HydrophobicContact CE1-CE2 4.19Å; F274-F317 HydrophobicContact CZ-CE2 4.45Å; I301-F317 HydrophobicContact CD1-CE1 4.35Å; I301-F317 HydrophobicContact CD1-CZ 3.9Å; I301-F317 HydrophobicContact CG1-CE1 3.98Å; I301-F317 HydrophobicContact CG1-CE2 4.47Å; I301-F317 HydrophobicContact CG1-CZ 3.51Å; G302-F317 CarbonylContact O-C 3.55Å; G302-F317 WeakPolarHBondContact O-CA 3.42Å; F303-F317 HydrophobicContact CD1-CB 4.13Å; F303-F317 HydrophobicContact CD1-CD2 4.35Å; F303-F317 HydrophobicContact CD2-CD2 4.19Å; F303-F317 HydrophobicContact CE1-CB 4.07Å; F303-F317 HydrophobicContact CE1-CD2 4.12Å; F303-F317 AromaticContact CE2-CD2 3.93Å; F303-F317 HydrophobicContact CE2-CD2 3.93Å; F303-F317 HydrophobicContact CE2-CE2 4.46Å; F303-F317 HydrophobicContact CG-CD2 4.39Å; F303-F317 AromaticContact CZ-CD2 3.89Å; F303-F317 HydrophobicContact CZ-CD2 3.89Å
318E98.3Very high90.1Very high14 Ų1426.5 Ų26.57%0.06515%0.145CC..EExtended strand (participates in β ladder)trans-142.6161.1170.861.3166.3-150.400112.2G302 I304 E316 F370 A371G302-E318 PolarHBondContact N-O 2.88Å; G302-E318 PolarHBondContact O-N 3.14Å; I304-E318 HydrophobicContact CB-CG 3.73Å; I304-E318 WeakPolarHBondContact CB-OE1 3.48Å; I304-E318 HydrophobicContact CG1-CG 3.65Å; E316-E318 PolarHBondContact O-N 3.34Å; E318-F370 HydrophobicContact CB-CE1 4.37Å; E318-A371 WeakPolarHBondContact CA-O 3.22Å
319S98.3Very high89.7Confident3 Ų326.7 Ų26.72%0.02115%0.148CC..EExtended strand (participates in β ladder)trans-156.3143.8172.2-175.20000111.8S38 Y300 I301 F370 A371S38-S319 WeakPolarHBondContact CB-OG 3.28Å; S38-S319 WeakPolarHBondContact OG-CB 3.26Å; S38-S319 PolarHBondContact OG-OG 2.88Å; Y300-S319 VanDerWaalsContact O-CA 3.23Å; Y300-S319 WeakPolarHBondContact O-CA 3.47Å; Y300-S319 PolarHBondContact O-OG 2.98Å; I301-S319 WeakPolarHBondContact CB-OG 3.34Å; S319-F370 CarbonylContact O-C 3.5Å; S319-F370 WeakPolarHBondContact O-CA 3.45Å; S319-F370 WeakPolarHBondContact O-CD1 3.12Å; S319-A371 PolarHBondContact N-O 3.28Å; S319-A371 VanDerWaalsContact N-O 3.14Å; S319-A371 PolarHBondContact O-N 3.37Å
320F97.9Very high89.3Confident2 Ų228.9 Ų28.91%0.00916%0.164CC..EExtended strand (participates in β ladder)trans-129.3153.3169.975.7-91.3000112.2E298 N299 Y300 A322 L365 T369 F370 I379 I381E298-F320 HydrophobicContact CB-CE2 4.47Å; E298-F320 HydrophobicContact CG-CE2 3.93Å; E298-F320 HydrophobicContact CG-CZ 4.23Å; N299-F320 VanDerWaalsContact CA-O 3.24Å; N299-F320 WeakPolarHBondContact CA-O 3.37Å; N299-F320 WeakPolarHBondContact CB-O 3.04Å; Y300-F320 PolarHBondContact N-O 3.38Å; Y300-F320 PolarHBondContact O-N 3.46Å; Y300-F320 VanDerWaalsContact O-N 3.09Å; F320-A322 HydrophobicContact CD2-CB 4.1Å; F320-A322 HydrophobicContact CE2-CB 4.48Å; F320-L365 HydrophobicContact CE2-CD1 4.17Å; F320-T369 CarbonylContact C-O 3.57Å; F320-T369 VanDerWaalsContact CA-O 3.22Å; F320-T369 WeakPolarHBondContact CA-O 3.35Å; F320-F370 HydrophobicContact CB-CB 4.41Å; F320-F370 HydrophobicContact CB-CD1 4.04Å; F320-F370 HydrophobicContact CB-CD2 3.64Å; F320-F370 HydrophobicContact CB-CE1 4.19Å; F320-F370 HydrophobicContact CB-CE2 3.78Å; F320-F370 HydrophobicContact CB-CG 3.78Å; F320-F370 HydrophobicContact CB-CZ 4.08Å; F320-F370 HydrophobicContact CD1-CE2 4.41Å; F320-F370 HydrophobicContact CD1-CZ 4.35Å; F320-F370 HydrophobicContact CG-CE2 4.3Å; F320-I379 HydrophobicContact CD1-CD1 3.86Å; F320-I379 HydrophobicContact CE1-CD1 3.24Å; F320-I379 HydrophobicContact CE2-CD1 4.42Å; F320-I379 HydrophobicContact CZ-CD1 3.59Å; F320-I381 HydrophobicContact CE1-CD1 3.87Å; F320-I381 HydrophobicContact CZ-CD1 4.36Å
321V98.2Very high89Confident0 Ų029 Ų290%016%0.16CC..EExtended strand (participates in β ladder)trans-132.1123.2167.6-173.30000106.8V31 C34 S38 V297 N299 V368 T369V31-V321 HydrophobicContact CB-CG1 4.46Å; V31-V321 HydrophobicContact CG1-CG1 4.12Å; V31-V321 HydrophobicContact CG2-CG1 4.34Å; C34-V321 HydrophobicContact CB-CB 4.49Å; C34-V321 HydrophobicContact CB-CG1 4.11Å; C34-V321 HydrophobicContact CB-CG2 3.51Å; S38-V321 WeakPolarHBondContact OG-CG2 3.11Å; V297-V321 HydrophobicContact CG1-CG1 3.97Å; N299-V321 HydrophobicContact CB-CG2 4.41Å; V321-V368 PolarHBondContact O-N 3Å; V321-T369 PolarHBondContact N-O 3.27Å; V321-T369 PolarHBondContact O-N 3.33Å
322A97.3Very high88.8Confident0 Ų027.3 Ų27.30%015%0.151CC..EExtended strand (participates in β ladder)trans-142.3154.7-175.500000111.4E298 F320 L365 D366E298-A322 PolarHBondContact N-O 2.76Å; E298-A322 PolarHBondContact O-N 3.24Å; F320-A322 HydrophobicContact CD2-CB 4.1Å; F320-A322 HydrophobicContact CE2-CB 4.48Å; A322-L365 HydrophobicContact CB-CB 3.64Å; A322-L365 HydrophobicContact CB-CD1 3.91Å; A322-L365 HydrophobicContact CB-CG 4.36Å; A322-D366 VanDerWaalsContact CA-O 3.32Å; A322-D366 WeakPolarHBondContact CA-O 3.4Å; A322-D366 WeakPolarHBondContact CB-O 3.33Å
323V95Very high88.9Confident1 Ų129.2 Ų29.21%0.00615%0.151CC..EExtended strand (participates in β ladder)trans-109135.5-178.4178.20000108.9A19 L23 N325 L365 D366 V368A19-V323 HydrophobicContact CB-CB 4.15Å; A19-V323 HydrophobicContact CB-CG1 3.98Å; L23-V323 HydrophobicContact CD1-CG2 3.83Å; L23-V323 HydrophobicContact CD2-CG1 3.78Å; L23-V323 HydrophobicContact CD2-CG2 4.34Å; L23-V323 HydrophobicContact CG-CG1 4.39Å; L23-V323 HydrophobicContact CG-CG2 4.43Å; V323-N325 PolarHBondContact O-N 3.25Å; V323-L365 CarbonylContact O-C 3.55Å; V323-L365 WeakPolarHBondContact O-CA 3.4Å; V323-D366 PolarHBondContact N-O 3.33Å; V323-D366 PolarHBondContact O-N 3.34Å; V323-V368 HydrophobicContact CG2-CG2 3.77Å
324V89.9Confident89Confident28 Ų2831.1 Ų31.117%0.1715%0.154CC..EExtended strand (participates in β ladder)trans-63.9122.7-179.81730000111.7P295 V296 R326 L365P295-V324 WeakPolarHBondContact O-CG2 3.46Å; V296-V324 PolarHBondContact O-N 3.1Å; V296-V324 VanDerWaalsContact O-N 3.13Å; V324-R326 HydrophobicContact CG1-CG 4.34Å; V324-R326 PolarHBondContact O-N 2.69Å; V324-L365 HydrophobicContact CB-CD2 4.19Å; V324-L365 HydrophobicContact CG2-CD2 3.48Å; V324-L365 VanDerWaalsContact CG2-CD2 3.48Å
325N83.1Confident88.8Confident42 Ų4231.1 Ų31.123%0.22515%0.154CC..  trans-81.996.5166.4-171.3-45.8000108.9V323 S327 M328 S329 S364 D366V323-N325 PolarHBondContact O-N 3.25Å; N325-S327 VanDerWaalsContact C-N 3.29Å; N325-S327 PolarHBondContact O-N 2.74Å; N325-S327 PolarHBondContact OD1-N 2.88Å; N325-M328 HydrophobicContact CB-CB 4.4Å; N325-M328 PolarHBondContact O-N 3.13Å; N325-M328 PolarHBondContact OD1-N 3.15Å; N325-M328 VanDerWaalsContact OD1-N 3.13Å; N325-S329 VanDerWaalsContact O-CB 3.25Å; N325-S329 WeakPolarHBondContact O-CB 3.46Å; N325-S329 PolarHBondContact O-N 3.28Å; N325-S329 PolarHBondContact O-OG 3.22Å; N325-S364 PolarHBondContact N-O 3.15Å; N325-D366 PolarHBondContact ND2-OD2 3.37Å
326R77.6Confident88.5Confident185 Ų18531.2 Ų31.270%0.69816%0.155SC*.Hα-helixtrans-60.9-35.3-173.9-64-175.9-177.5179.51.7113.3V324 S330V324-R326 HydrophobicContact CG1-CG 4.34Å; V324-R326 PolarHBondContact O-N 2.69Å; R326-S330 PolarHBondContact O-N 3Å
327S75.2Confident88.1Confident86 Ų8635 Ų3560%0.60118%0.176SC*.Hα-helixtrans-66.1-51.8-179.5-176.50000111N325 S330N325-S327 VanDerWaalsContact C-N 3.29Å; N325-S327 PolarHBondContact O-N 2.74Å; N325-S327 PolarHBondContact OD1-N 2.88Å; S327-S330 WeakPolarHBondContact O-CB 3.29Å; S327-S330 PolarHBondContact O-N 3.01Å; S327-S330 PolarHBondContact O-OG 3.08Å
328M75.3Confident87.8Confident26 Ų2637 Ų3713%0.12819%0.187CC..Hα-helixtrans-70.2-38.7179.4-74.6-57.3-64.900112.8N325 S330 K331 F332 S364 E431N325-M328 HydrophobicContact CB-CB 4.4Å; N325-M328 PolarHBondContact O-N 3.13Å; N325-M328 PolarHBondContact OD1-N 3.15Å; N325-M328 VanDerWaalsContact OD1-N 3.13Å; M328-S330 PolarHBondContact O-N 2.88Å; M328-K331 HydrophobicContact CE-CD 3.88Å; M328-K331 WeakPolarHBondContact O-CB 3.27Å; M328-K331 PolarHBondContact O-N 2.79Å; M328-K331 HydrophobicContact SD-CD 3.79Å; M328-K331 VanDerWaalsContact SD-CE 3.56Å; M328-K331 PolarHBondContact SD-NZ 3.46Å; M328-F332 PolarHBondContact O-N 3.38Å; M328-S364 VanDerWaalsContact CB-OG 3.29Å; M328-S364 WeakPolarHBondContact CB-OG 3.45Å; M328-E431 VanDerWaalsContact CE-CD 3.48Å; M328-E431 HydrophobicContact CE-CG 4.37Å; M328-E431 WeakPolarHBondContact CE-OE1 3.46Å; M328-E431 WeakPolarHBondContact CE-OE2 3.28Å
329S79.8Confident87.5Confident15 Ų1536.4 Ų36.411%0.10518%0.184CC..Hα-helixtrans-58.2-30.7174.6-58.80000112.2N325 K331 F332 Q333 S364N325-S329 VanDerWaalsContact O-CB 3.25Å; N325-S329 WeakPolarHBondContact O-CB 3.46Å; N325-S329 PolarHBondContact O-N 3.28Å; N325-S329 PolarHBondContact O-OG 3.22Å; S329-K331 VanDerWaalsContact C-N 3.29Å; S329-K331 PolarHBondContact O-N 3.48Å; S329-F332 PolarHBondContact O-N 2.8Å; S329-Q333 WeakPolarHBondContact O-CB 3.28Å; S329-Q333 PolarHBondContact O-N 2.72Å; S329-S364 PolarHBondContact OG-N 3.44Å; S329-S364 PolarHBondContact OG-O 2.9Å; S329-S364 VanDerWaalsContact OG-O 3.14Å
330S81.6Confident87.1Confident52 Ų5240.9 Ų40.936%0.36421%0.211SC..Hα-helixtrans-62.7-32.7174.282.60000113.4R326 S327 M328 R334R326-S330 PolarHBondContact O-N 3Å; S327-S330 WeakPolarHBondContact O-CB 3.29Å; S327-S330 PolarHBondContact O-N 3.01Å; S327-S330 PolarHBondContact O-OG 3.08Å; M328-S330 PolarHBondContact O-N 2.88Å; S330-R334 WeakPolarHBondContact O-CG 3.24Å; S330-R334 PolarHBondContact O-N 2.97Å; S330-R334 PolarHBondContact O-NH1 2.85Å; S330-R334 PolarHBondContact OG-NH1 2.81Å
331K80.9Confident87Confident39 Ų3945.9 Ų45.917%0.1723%0.234CC..Hα-helixtrans-68.4-45.2176.1-58.6-178.2-178.8171.80110.4M328 S329 R334 L335 E431M328-K331 HydrophobicContact CE-CD 3.88Å; M328-K331 WeakPolarHBondContact O-CB 3.27Å; M328-K331 PolarHBondContact O-N 2.79Å; M328-K331 HydrophobicContact SD-CD 3.79Å; M328-K331 VanDerWaalsContact SD-CE 3.56Å; M328-K331 PolarHBondContact SD-NZ 3.46Å; S329-K331 VanDerWaalsContact C-N 3.29Å; S329-K331 PolarHBondContact O-N 3.48Å; K331-R334 PolarHBondContact O-N 3.38Å; K331-L335 PolarHBondContact O-N 2.83Å; K331-E431 IonicContact NZ-OE2 3.64Å
332F83.7Confident86.8Confident0 Ų045.9 Ų45.90%023%0.234CC..Hα-helixtrans-67.8-37.4178.6-65.4-48.7000112.6M328 S329 R334 L335 V336 F362 F515M328-F332 PolarHBondContact O-N 3.38Å; S329-F332 PolarHBondContact O-N 2.8Å; F332-R334 VanDerWaalsContact C-N 3.31Å; F332-R334 PolarHBondContact O-N 2.94Å; F332-L335 WeakPolarHBondContact O-CA 3.44Å; F332-L335 VanDerWaalsContact O-CB 3.3Å; F332-L335 WeakPolarHBondContact O-CB 3.46Å; F332-L335 PolarHBondContact O-N 3.06Å; F332-V336 WeakPolarHBondContact O-CG2 3.35Å; F332-V336 PolarHBondContact O-N 3.33Å; F332-F362 HydrophobicContact CB-CB 4.13Å; F332-F362 HydrophobicContact CB-CD1 3.78Å; F332-F362 HydrophobicContact CB-CD2 4.17Å; F332-F362 HydrophobicContact CB-CE1 4.28Å; F332-F362 HydrophobicContact CB-CG 3.75Å; F332-F362 WeakPolarHBondContact CB-O 3.44Å; F332-F362 AromaticContact CD1-CD1 3.99Å; F332-F362 HydrophobicContact CD1-CD1 3.99Å; F332-F362 AromaticContact CD1-CE1 3.59Å; F332-F362 HydrophobicContact CD1-CE1 3.59Å; F332-F362 HydrophobicContact CD1-CE2 4.21Å; F332-F362 HydrophobicContact CD1-CG 4.48Å; F332-F362 AromaticContact CD1-CZ 3.74Å; F332-F362 HydrophobicContact CD1-CZ 3.74Å; F332-F362 HydrophobicContact CD2-CD2 4.3Å; F332-F362 HydrophobicContact CD2-CE2 4.25Å; F332-F362 HydrophobicContact CE1-CE1 4.14Å; F332-F362 HydrophobicContact CE1-CE2 4.44Å; F332-F362 AromaticContact CE1-CZ 3.91Å; F332-F362 HydrophobicContact CE1-CZ 3.91Å; F332-F362 HydrophobicContact CE2-CE2 4.46Å; F332-F362 HydrophobicContact CG-CD1 4.03Å; F332-F362 HydrophobicContact CG-CD2 4.11Å; F332-F362 HydrophobicContact CG-CE1 4.03Å; F332-F362 HydrophobicContact CG-CE2 4.13Å; F332-F362 HydrophobicContact CG-CG 4.1Å; F332-F362 HydrophobicContact CG-CZ 4.12Å; F332-F362 HydrophobicContact CZ-CZ 4.39Å; F332-F515 HydrophobicContact CD1-CE1 4.37Å; F332-F515 HydrophobicContact CD1-CZ 4.3Å; F332-F515 AromaticContact CE1-CE1 3.82Å; F332-F515 HydrophobicContact CE1-CE1 3.82Å; F332-F515 HydrophobicContact CE1-CZ 4.02Å
333Q85.8Confident86.6Confident75 Ų7546.6 Ų46.635%0.3524%0.238SC..Hα-helixtrans-59.1-43.7174.2-17359.353.100111.5S329 L335 V336 D337S329-Q333 WeakPolarHBondContact O-CB 3.28Å; S329-Q333 PolarHBondContact O-N 2.72Å; Q333-L335 PolarHBondContact O-N 3.02Å; Q333-V336 WeakPolarHBondContact O-CB 3.35Å; Q333-V336 PolarHBondContact O-N 2.83Å; Q333-V336 VanDerWaalsContact O-N 3.1Å; Q333-D337 PolarHBondContact NE2-OD1 3.43Å; Q333-D337 PolarHBondContact O-N 2.92Å
334R87.8Confident86.6Confident71 Ų7151 Ų5127%0.26827%0.269SS..Hα-helixtrans-61.3-33.6174.7-68.7-169.8-61.6-84.75.8112.8S330 K331 F332 N338 Q514S330-R334 WeakPolarHBondContact O-CG 3.24Å; S330-R334 PolarHBondContact O-N 2.97Å; S330-R334 PolarHBondContact O-NH1 2.85Å; S330-R334 PolarHBondContact OG-NH1 2.81Å; K331-R334 PolarHBondContact O-N 3.38Å; F332-R334 VanDerWaalsContact C-N 3.31Å; F332-R334 PolarHBondContact O-N 2.94Å; R334-N338 PolarHBondContact O-N 3.21Å; R334-N338 PolarHBondContact O-ND2 2.79Å; R334-Q514 HydrophobicContact CB-CB 4.47Å; R334-Q514 HydrophobicContact CB-CG 4.35Å; R334-Q514 VanDerWaalsContact CB-OE1 3.26Å; R334-Q514 PolarHBondContact NH2-O 3.25Å
335L88.6Confident86.9Confident0 Ų053.3 Ų53.30%028%0.278CS..Hα-helixtrans-67.7-41.6174.2-166.471.7000111.5K331 F332 Q333 N338 A339 L342 F362 L436 L439 F515K331-L335 PolarHBondContact O-N 2.83Å; F332-L335 WeakPolarHBondContact O-CA 3.44Å; F332-L335 VanDerWaalsContact O-CB 3.3Å; F332-L335 WeakPolarHBondContact O-CB 3.46Å; F332-L335 PolarHBondContact O-N 3.06Å; Q333-L335 PolarHBondContact O-N 3.02Å; L335-N338 CarbonylContact O-C 3.14Å; L335-N338 PolarHBondContact O-N 2.91Å; L335-A339 PolarHBondContact O-N 2.84Å; L335-L342 HydrophobicContact CD1-CD1 3.51Å; L335-L342 HydrophobicContact CG-CD1 4.35Å; L335-F362 HydrophobicContact CD2-CE1 4.48Å; L335-L436 HydrophobicContact CD1-CD2 4.35Å; L335-L436 HydrophobicContact CD2-CD2 4.48Å; L335-L439 HydrophobicContact CB-CD2 4.06Å; L335-L439 HydrophobicContact CD2-CB 4.44Å; L335-L439 HydrophobicContact CD2-CD2 3.64Å; L335-L439 HydrophobicContact CG-CD2 3.61Å; L335-F515 HydrophobicContact CD1-CE2 4.11Å; L335-F515 HydrophobicContact CD2-CE2 4.1Å; L335-F515 HydrophobicContact CD2-CZ 4.16Å
336V87.6Confident87.6Confident2 Ų251.8 Ų51.81%0.01227%0.269CS..Hα-helixtrans-61.7-43.8174.4174.60000111.1F332 Q333 N338 A339 Q359 F362 L439F332-V336 WeakPolarHBondContact O-CG2 3.35Å; F332-V336 PolarHBondContact O-N 3.33Å; Q333-V336 WeakPolarHBondContact O-CB 3.35Å; Q333-V336 PolarHBondContact O-N 2.83Å; Q333-V336 VanDerWaalsContact O-N 3.1Å; V336-N338 PolarHBondContact O-N 3.2Å; V336-A339 VanDerWaalsContact O-CB 3.28Å; V336-A339 WeakPolarHBondContact O-CB 3.36Å; V336-A339 PolarHBondContact O-N 2.98Å; V336-A339 VanDerWaalsContact O-N 3.13Å; V336-Q359 HydrophobicContact CG1-CB 3.99Å; V336-Q359 HydrophobicContact CG1-CG 4.07Å; V336-F362 HydrophobicContact CG2-CB 3.65Å; V336-F362 HydrophobicContact CG2-CD1 4.4Å; V336-L439 HydrophobicContact CG2-CD1 3.88Å; V336-L439 HydrophobicContact CG2-CD2 3.92Å
337D90Very high88.6Confident93 Ų9344.3 Ų44.350%0.49725%0.245SC..Hα-helixtrans-61.6-30.8-179.8-63.6-18.8000112.1Q333Q333-D337 PolarHBondContact NE2-OD1 3.43Å; Q333-D337 PolarHBondContact O-N 2.92Å
338N91.9Very high89.6Confident44 Ų4441.1 Ų41.124%0.23522%0.22CC..THydrogen-bonded Turntrans-100.64.2179-68.1-75.9000113.8R334 L335 V336 V340 E341 L342 L510R334-N338 PolarHBondContact O-N 3.21Å; R334-N338 PolarHBondContact O-ND2 2.79Å; L335-N338 CarbonylContact O-C 3.14Å; L335-N338 PolarHBondContact O-N 2.91Å; V336-N338 PolarHBondContact O-N 3.2Å; N338-V340 VanDerWaalsContact C-N 3.32Å; N338-V340 PolarHBondContact O-N 2.95Å; N338-E341 PolarHBondContact O-N 3.1Å; N338-E341 VanDerWaalsContact O-N 3.15Å; N338-L342 HydrophobicContact CB-CD1 4.36Å; N338-L342 WeakPolarHBondContact O-CG 3.41Å; N338-L342 PolarHBondContact O-N 3.09Å; N338-L342 VanDerWaalsContact O-N 3.1Å; N338-L510 HydrophobicContact CB-CD2 4.23Å
339A91.4Very high90.5Very high0 Ų042.9 Ų42.90%023%0.233CC..Hα-helixtrans-59.1-39-170.500000113.2L335 V336 E341 L342 L343 F357 L439 L440L335-A339 PolarHBondContact O-N 2.84Å; V336-A339 VanDerWaalsContact O-CB 3.28Å; V336-A339 WeakPolarHBondContact O-CB 3.36Å; V336-A339 PolarHBondContact O-N 2.98Å; V336-A339 VanDerWaalsContact O-N 3.13Å; A339-E341 VanDerWaalsContact C-N 3.32Å; A339-E341 PolarHBondContact O-N 3.1Å; A339-L342 PolarHBondContact O-N 2.97Å; A339-L343 WeakPolarHBondContact O-CB 3.38Å; A339-L343 VanDerWaalsContact O-CG 3.22Å; A339-L343 WeakPolarHBondContact O-CG 3.43Å; A339-L343 PolarHBondContact O-N 2.99Å; A339-F357 HydrophobicContact CB-CD1 4.13Å; A339-F357 HydrophobicContact CB-CE1 3.39Å; A339-F357 HydrophobicContact CB-CE2 4.15Å; A339-F357 HydrophobicContact CB-CZ 3.4Å; A339-F357 VanDerWaalsContact CB-CZ 3.4Å; A339-L439 HydrophobicContact CB-CD2 4.43Å; A339-L440 HydrophobicContact CB-CD2 3.92Å
340V91.5Very high91.2Very high98 Ų9847.1 Ų47.159%0.59426%0.263SS*.Hα-helixtrans-61.5-40.6179.8177.30000111.8N338 F357N338-V340 VanDerWaalsContact C-N 3.32Å; N338-V340 PolarHBondContact O-N 2.95Å; V340-F357 HydrophobicContact CG2-CB 3.98Å; V340-F357 HydrophobicContact CG2-CD1 4.19Å; V340-F357 HydrophobicContact CG2-CG 4.32Å
341E94Very high91.9Very high106 Ų10646.6 Ų46.650%0.49526%0.258SS..Hα-helixtrans-66.9-46.3175.3-177.7174.8166.600110.4N338 A339 L343 S344 H345 L510N338-E341 PolarHBondContact O-N 3.1Å; N338-E341 VanDerWaalsContact O-N 3.15Å; A339-E341 VanDerWaalsContact C-N 3.32Å; A339-E341 PolarHBondContact O-N 3.1Å; E341-L343 VanDerWaalsContact C-N 3.35Å; E341-L343 PolarHBondContact O-N 3Å; E341-S344 WeakPolarHBondContact O-CB 3.26Å; E341-S344 PolarHBondContact O-N 3.08Å; E341-S344 VanDerWaalsContact O-N 3.08Å; E341-S344 PolarHBondContact O-OG 3.25Å; E341-H345 PolarHBondContact O-CD2 3.01Å; E341-L510 HydrophobicContact CB-CD2 4.48Å; E341-L510 HydrophobicContact CG-CD2 4.09Å
342L94.6Very high92.6Very high0 Ų044.8 Ų44.80%025%0.249CC..Hα-helixtrans-63-37.8-179.6-65.3173.7000113L335 N338 A339 S344 H345 L440 L508 L510 V511L335-L342 HydrophobicContact CD1-CD1 3.51Å; L335-L342 HydrophobicContact CG-CD1 4.35Å; N338-L342 HydrophobicContact CB-CD1 4.36Å; N338-L342 WeakPolarHBondContact O-CG 3.41Å; N338-L342 PolarHBondContact O-N 3.09Å; N338-L342 VanDerWaalsContact O-N 3.1Å; A339-L342 PolarHBondContact O-N 2.97Å; L342-S344 PolarHBondContact O-N 3.48Å; L342-H345 WeakPolarHBondContact O-CB 3.22Å; L342-H345 PolarHBondContact O-N 2.96Å; L342-H345 VanDerWaalsContact O-N 3.15Å; L342-L440 HydrophobicContact CB-CD1 3.63Å; L342-L440 HydrophobicContact CD1-CD1 3.89Å; L342-L440 HydrophobicContact CG-CD1 4.38Å; L342-L508 HydrophobicContact CD2-CD1 4.16Å; L342-L510 HydrophobicContact CD2-CB 4.3Å; L342-L510 HydrophobicContact CD2-CD2 3.81Å; L342-L510 HydrophobicContact CD2-CG 4.17Å; L342-L510 HydrophobicContact CG-CD2 4.22Å; L342-V511 HydrophobicContact CD1-CG2 4.13Å; L342-V511 HydrophobicContact CD2-CG2 3.49Å; L342-V511 VanDerWaalsContact CD2-CG2 3.49Å; L342-V511 HydrophobicContact CG-CG2 4.45Å
343L94.3Very high93.1Very high16 Ų1645.9 Ų45.98%0.08426%0.255CS..Hα-helixtrans-60.5-31.5175-73.6172.7000112.1A339 E341 H345 L346 F357 L440 S444A339-L343 WeakPolarHBondContact O-CB 3.38Å; A339-L343 VanDerWaalsContact O-CG 3.22Å; A339-L343 WeakPolarHBondContact O-CG 3.43Å; A339-L343 PolarHBondContact O-N 2.99Å; E341-L343 VanDerWaalsContact C-N 3.35Å; E341-L343 PolarHBondContact O-N 3Å; L343-H345 PolarHBondContact O-N 3.3Å; L343-L346 HydrophobicContact CD2-CD1 3.59Å; L343-L346 WeakPolarHBondContact O-CB 3.32Å; L343-L346 PolarHBondContact O-N 2.99Å; L343-L346 VanDerWaalsContact O-N 3.11Å; L343-F357 HydrophobicContact CD1-CB 4.47Å; L343-F357 HydrophobicContact CD1-CD2 3.53Å; L343-F357 HydrophobicContact CD1-CE2 3.99Å; L343-F357 HydrophobicContact CD1-CG 4.15Å; L343-L440 HydrophobicContact CD2-CD2 4.02Å; L343-L440 HydrophobicContact CG-CD2 4.12Å; L343-S444 VanDerWaalsContact CD2-CB 3.49Å
344S94.9Very high93.3Very high93 Ų9345.9 Ų45.965%0.6525%0.254SS*.THydrogen-bonded Turntrans-66.7-15.8179.180.20000113.8E341 L342E341-S344 WeakPolarHBondContact O-CB 3.26Å; E341-S344 PolarHBondContact O-N 3.08Å; E341-S344 VanDerWaalsContact O-N 3.08Å; E341-S344 PolarHBondContact O-OG 3.25Å; L342-S344 PolarHBondContact O-N 3.48Å
345H96.2Very high93.2Very high76 Ų7648.6 Ų48.635%0.35227%0.273SS..THydrogen-bonded Turntrans-84.6-9.6175.8-70.5-83.8000113.5E341 L342 L343 Y504 L505 L508E341-H345 PolarHBondContact O-CD2 3.01Å; L342-H345 WeakPolarHBondContact O-CB 3.22Å; L342-H345 PolarHBondContact O-N 2.96Å; L342-H345 VanDerWaalsContact O-N 3.15Å; L343-H345 PolarHBondContact O-N 3.3Å; H345-Y504 WeakPolarHBondContact O-CE1 3.43Å; H345-L505 HydrophobicContact CB-CD2 3.93Å; H345-L508 HydrophobicContact CB-CD1 3.9Å
346L97.5Very high93Very high10 Ų1058.5 Ų58.55%0.05231%0.311CS..SBendtrans-68.5148.5-179.2-69.2168.1000111.5L343 W348 V501 L505 L618L343-L346 HydrophobicContact CD2-CD1 3.59Å; L343-L346 WeakPolarHBondContact O-CB 3.32Å; L343-L346 PolarHBondContact O-N 2.99Å; L343-L346 VanDerWaalsContact O-N 3.11Å; L346-W348 HydrophobicContact CB-CD2 4.02Å; L346-W348 HydrophobicContact CB-CE3 4.14Å; L346-W348 HydrophobicContact CB-CH2 3.83Å; L346-W348 HydrophobicContact CB-CZ2 3.67Å; L346-W348 HydrophobicContact CB-CZ3 4.05Å; L346-W348 HydrophobicContact CD1-CH2 3.54Å; L346-W348 HydrophobicContact CD1-CZ2 3.28Å; L346-W348 HydrophobicContact CD2-CH2 3.83Å; L346-W348 HydrophobicContact CD2-CZ2 4.36Å; L346-W348 HydrophobicContact CD2-CZ3 4.2Å; L346-W348 HydrophobicContact CG-CH2 3.92Å; L346-W348 HydrophobicContact CG-CZ2 3.93Å; L346-W348 HydrophobicContact CG-CZ3 4.48Å; L346-W348 PolarHBondContact O-N 3.3Å; L346-V501 HydrophobicContact CD2-CB 4.44Å; L346-V501 HydrophobicContact CD2-CG1 3.95Å; L346-V501 HydrophobicContact CD2-CG2 3.86Å; L346-L505 HydrophobicContact CD2-CD1 3.95Å; L346-L505 HydrophobicContact CD2-CD2 4.14Å; L346-L505 HydrophobicContact CD2-CG 4.15Å; L346-L505 HydrophobicContact CG-CD1 4.46Å; L346-L618 HydrophobicContact CD2-CD2 4.38Å
347P97.1Very high92.7Very high28 Ų2860.3 Ų60.318%0.18232%0.319CS..SBendtrans-81.321.8-165.534.7-38.7000114.3G615 L618 R619P347-G615 WeakPolarHBondContact CB-O 3.26Å; P347-G615 VanDerWaalsContact CG-O 3.27Å; P347-G615 WeakPolarHBondContact CG-O 3Å; P347-L618 HydrophobicContact CG-CB 4.08Å; P347-L618 HydrophobicContact CG-CD2 3.85Å; P347-L618 HydrophobicContact CG-CG 3.89Å; P347-R619 HydrophobicContact CB-CB 4.32Å; P347-R619 HydrophobicContact CG-CB 4.4Å; P347-R619 WeakPolarHBondContact O-CB 3.41Å; P347-R619 VanDerWaalsContact O-CD 3.31Å; P347-R619 WeakPolarHBondContact O-CD 3.49Å; P347-R619 WeakPolarHBondContact O-CG 3.36Å
348W96.5Very high91.9Very high19 Ų1960.3 Ų60.37%0.07232%0.318CS..SBendtrans-121.3154.9176.655.680.3000111.7L346 E353 S444 I466 V501 L618 Q622L346-W348 HydrophobicContact CB-CD2 4.02Å; L346-W348 HydrophobicContact CB-CE3 4.14Å; L346-W348 HydrophobicContact CB-CH2 3.83Å; L346-W348 HydrophobicContact CB-CZ2 3.67Å; L346-W348 HydrophobicContact CB-CZ3 4.05Å; L346-W348 HydrophobicContact CD1-CH2 3.54Å; L346-W348 HydrophobicContact CD1-CZ2 3.28Å; L346-W348 HydrophobicContact CD2-CH2 3.83Å; L346-W348 HydrophobicContact CD2-CZ2 4.36Å; L346-W348 HydrophobicContact CD2-CZ3 4.2Å; L346-W348 HydrophobicContact CG-CH2 3.92Å; L346-W348 HydrophobicContact CG-CZ2 3.93Å; L346-W348 HydrophobicContact CG-CZ3 4.48Å; L346-W348 PolarHBondContact O-N 3.3Å; W348-E353 PolarHBondContact NE1-OE2 3.29Å; W348-S444 WeakPolarHBondContact CH2-OG 3.09Å; W348-S444 WeakPolarHBondContact CZ2-OG 3.47Å; W348-I466 HydrophobicContact CB-CD1 4.46Å; W348-V501 HydrophobicContact CH2-CG2 4.2Å; W348-L618 HydrophobicContact CE3-CG 4.34Å; W348-L618 HydrophobicContact CZ3-CD1 3.83Å; W348-L618 HydrophobicContact CZ3-CD2 4Å; W348-L618 HydrophobicContact CZ3-CG 3.68Å; W348-Q622 HydrophobicContact CB-CG 4.38Å; W348-Q622 HydrophobicContact CD2-CB 4.06Å; W348-Q622 HydrophobicContact CD2-CG 3.65Å; W348-Q622 HydrophobicContact CE3-CB 3.69Å; W348-Q622 HydrophobicContact CE3-CG 3.8Å; W348-Q622 HydrophobicContact CG-CG 3.92Å; W348-Q622 HydrophobicContact CZ2-CG 4.48Å; W348-Q622 HydrophobicContact CZ3-CB 4.1Å; W348-Q622 HydrophobicContact CZ3-CG 4.27Å
349P95.5Very high91.3Very high63 Ų6363.8 Ų63.841%0.40933%0.333SS..  trans-62.5152.5177.6-19.332.4000112T351 Y352 I466P349-T351 PolarHBondContact O-N 3.13Å; P349-Y352 HydrophobicContact CG-CD2 4.43Å; P349-Y352 WeakPolarHBondContact O-CB 3.42Å; P349-Y352 PolarHBondContact O-N 2.93Å; P349-I466 HydrophobicContact CG-CD1 4.38Å; P349-I466 HydrophobicContact CG-CG1 4.34Å
350S94.4Very high90.5Very high105 Ų10564.2 Ų64.273%0.73434%0.336SS*.G310 helixtrans-56.9-24.8177.456.50000114Y352 E353S350-Y352 PolarHBondContact O-N 3.33Å; S350-E353 WeakPolarHBondContact O-CB 3.47Å; S350-E353 PolarHBondContact O-N 3.31Å
351T95.4Very high89.8Confident41 Ų4160.4 Ų60.425%0.25231%0.312SS..G310 helixtrans-66.9-16.9174.659.60000113.6P349 F448P349-T351 PolarHBondContact O-N 3.13Å; T351-F448 WeakPolarHBondContact O-CE1 3.43Å
352Y95.9Very high89.2Confident0 Ų055.4 Ų55.40%029%0.289CS..G310 helixtrans-95.21173.5-80.6-107.4000112.5P349 S350 K446 F448 T463 K464 I466 I472 Y623 S626 T627P349-Y352 HydrophobicContact CG-CD2 4.43Å; P349-Y352 WeakPolarHBondContact O-CB 3.42Å; P349-Y352 PolarHBondContact O-N 2.93Å; S350-Y352 PolarHBondContact O-N 3.33Å; Y352-K446 WeakPolarHBondContact O-CB 3.22Å; Y352-K446 PolarHBondContact O-N 2.86Å; Y352-F448 HydrophobicContact CD1-CE2 4.18Å; Y352-F448 AromaticContact CD1-CZ 3.84Å; Y352-F448 HydrophobicContact CD1-CZ 3.84Å; Y352-F448 AromaticContact CD2-CZ 3.97Å; Y352-F448 HydrophobicContact CD2-CZ 3.97Å; Y352-F448 AromaticContact CE1-CE2 3.64Å; Y352-F448 HydrophobicContact CE1-CE2 3.64Å; Y352-F448 AromaticContact CE1-CZ 3.75Å; Y352-F448 HydrophobicContact CE1-CZ 3.75Å; Y352-F448 HydrophobicContact CE2-CE2 4.18Å; Y352-F448 AromaticContact CE2-CZ 3.89Å; Y352-F448 HydrophobicContact CE2-CZ 3.89Å; Y352-F448 AromaticContact CG-CZ 3.94Å; Y352-F448 HydrophobicContact CG-CZ 3.94Å; Y352-F448 AromaticContact CZ-CE2 3.64Å; Y352-F448 AromaticContact CZ-CZ 3.78Å; Y352-T463 HydrophobicContact CE2-CG2 4.1Å; Y352-K464 WeakPolarHBondContact CE2-O 3.43Å; Y352-K464 PolarHBondContact OH-O 2.83Å; Y352-I466 HydrophobicContact CD1-CD1 3.81Å; Y352-I466 HydrophobicContact CD2-CD1 3.74Å; Y352-I466 HydrophobicContact CD2-CG1 4.2Å; Y352-I466 HydrophobicContact CE1-CD1 3.68Å; Y352-I466 HydrophobicContact CE1-CG1 4.28Å; Y352-I466 HydrophobicContact CE2-CD1 3.59Å; Y352-I466 HydrophobicContact CE2-CG1 3.62Å; Y352-I466 HydrophobicContact CG-CD1 3.86Å; Y352-I472 WeakPolarHBondContact OH-CD1 3.12Å; Y352-Y623 HydrophobicContact CE1-CD2 4.09Å; Y352-Y623 WeakPolarHBondContact OH-CD2 3.48Å; Y352-S626 VanDerWaalsContact CD1-CB 3.44Å; Y352-S626 WeakPolarHBondContact CD1-OG 3.42Å; Y352-T627 HydrophobicContact CE1-CG2 4.25Å
353E94.5Very high88.7Confident23 Ų2355.7 Ų55.711%0.10729%0.29CS..SBendtrans-98.5156.8174-167.948.2-10100111W348 S350 G445 K446W348-E353 PolarHBondContact NE1-OE2 3.29Å; S350-E353 WeakPolarHBondContact O-CB 3.47Å; S350-E353 PolarHBondContact O-N 3.31Å; E353-G445 PolarHBondContact OE1-N 2.81Å; E353-G445 PolarHBondContact OE2-N 2.82Å; E353-G445 VanDerWaalsContact OE2-N 3.13Å; E353-K446 WeakPolarHBondContact O-CB 3.46Å; E353-K446 WeakPolarHBondContact O-CD 3.47Å
354K89.6Confident88.4Confident76 Ų7655 Ų5533%0.3329%0.287SS..  trans-60.7140.3176.8-64.5173.9-176.7168.40109.9R356 G443 G445K354-R356 PolarHBondContact O-N 2.98Å; K354-R356 VanDerWaalsContact O-N 3.17Å; K354-G443 PolarHBondContact NZ-O 2.94Å; K354-G445 VanDerWaalsContact CE-O 3.26Å; K354-G445 WeakPolarHBondContact CE-O 3.3Å
355D86.3Confident88.3Confident127 Ų12750.6 Ų50.668%0.67926%0.256SS*.SBendtrans-62.5-28.7-176.5-56.6-41.5000112.8K446D355-K446 IonicContact OD1-NZ 3.78Å; D355-K446 PolarHBondContact OD1-NZ 2.98Å; D355-K446 IonicContact OD2-NZ 2.87Å; D355-K446 PolarHBondContact OD2-NZ 3.35Å
356R83.9Confident88.2Confident208 Ų20847.8 Ų47.879%0.78524%0.244SC*.SBendtrans-135.4130175.1-63.8-176.6-179.3-175.70.2108.8K354 L358K354-R356 PolarHBondContact O-N 2.98Å; K354-R356 VanDerWaalsContact O-N 3.17Å; R356-L358 PolarHBondContact O-N 2.83Å
357F80.9Confident88.1Confident41 Ų4147.3 Ų47.318%0.1824%0.241CC..  trans-77.1106.3166.2-174.9-107.1000108.6A339 V340 L343 Q359 P360 L439A339-F357 HydrophobicContact CB-CD1 4.13Å; A339-F357 HydrophobicContact CB-CE1 3.39Å; A339-F357 HydrophobicContact CB-CE2 4.15Å; A339-F357 HydrophobicContact CB-CZ 3.4Å; A339-F357 VanDerWaalsContact CB-CZ 3.4Å; V340-F357 HydrophobicContact CG2-CB 3.98Å; V340-F357 HydrophobicContact CG2-CD1 4.19Å; V340-F357 HydrophobicContact CG2-CG 4.32Å; L343-F357 HydrophobicContact CD1-CB 4.47Å; L343-F357 HydrophobicContact CD1-CD2 3.53Å; L343-F357 HydrophobicContact CD1-CE2 3.99Å; L343-F357 HydrophobicContact CD1-CG 4.15Å; F357-Q359 HydrophobicContact CD1-CG 3.97Å; F357-Q359 HydrophobicContact CE1-CB 4.44Å; F357-Q359 HydrophobicContact CE1-CG 3.96Å; F357-Q359 PolarHBondContact O-N 3.35Å; F357-P360 HydrophobicContact CZ-CG 4.47Å; F357-L439 HydrophobicContact CZ-CD1 4.09Å
358L74.4Confident88.1Confident92 Ų9246 Ų4648%0.48223%0.233SC..  trans-77.4107.5169.3-61.6178.1000106.9R356 P360R356-L358 PolarHBondContact O-N 2.83Å; L358-P360 WeakPolarHBondContact O-CD 3.32Å
359Q78.2Confident88.2Confident118 Ų11845.2 Ų45.255%0.55123%0.23SC*.  trans-57.6111.1179-73.6-177.4-16.400109.4V336 F357V336-Q359 HydrophobicContact CG1-CB 3.99Å; V336-Q359 HydrophobicContact CG1-CG 4.07Å; F357-Q359 HydrophobicContact CD1-CG 3.97Å; F357-Q359 HydrophobicContact CE1-CB 4.44Å; F357-Q359 HydrophobicContact CE1-CG 3.96Å; F357-Q359 PolarHBondContact O-N 3.35Å
360P75.3Confident88.3Confident9 Ų942.2 Ų42.26%0.05821%0.21CC..  trans-75.2159.2177.132.1-31.9000109.4F357 L358 F362 F393 N395 L439F357-P360 HydrophobicContact CZ-CG 4.47Å; L358-P360 WeakPolarHBondContact O-CD 3.32Å; P360-F362 PolarHBondContact O-N 3.31Å; P360-F393 HydrophobicContact CB-CD2 4.3Å; P360-F393 HydrophobicContact CB-CE2 3.99Å; P360-F393 HydrophobicContact CB-CZ 4.24Å; P360-F393 HydrophobicContact CG-CE2 4.39Å; P360-F393 HydrophobicContact CG-CZ 4.48Å; P360-N395 WeakPolarHBondContact CB-ND2 3.39Å; P360-N395 VanDerWaalsContact CG-ND2 3.27Å; P360-N395 WeakPolarHBondContact CG-ND2 3.29Å; P360-L439 HydrophobicContact CG-CD1 3.31Å
361D77.4Confident88.5Confident17 Ų1737.2 Ų37.29%0.09118%0.175CC..EExtended strand (participates in β ladder)trans-74.7120.7164.6-158.5-4.4000107.3K293 G294 T363 K394 N395K293-D361 WeakPolarHBondContact CA-OD2 3.47Å; K293-D361 HydrophobicContact CD-CB 4.03Å; G294-D361 PolarHBondContact N-OD2 3.42Å; D361-T363 WeakPolarHBondContact OD1-CG2 3.46Å; D361-K394 HydrophobicContact CB-CB 4.39Å; D361-K394 HydrophobicContact CB-CD 4.22Å; D361-K394 HydrophobicContact CB-CG 3.98Å; D361-N395 PolarHBondContact O-N 2.87Å
362F80.6Confident88.5Confident2 Ų235.7 Ų35.71%0.00917%0.166CC..EExtended strand (participates in β ladder)trans-119.699.5177.1-163179.4000110.8F332 L335 V336 P360 N395 G435 E438 L439F332-F362 HydrophobicContact CB-CB 4.13Å; F332-F362 HydrophobicContact CB-CD1 3.78Å; F332-F362 HydrophobicContact CB-CD2 4.17Å; F332-F362 HydrophobicContact CB-CE1 4.28Å; F332-F362 HydrophobicContact CB-CG 3.75Å; F332-F362 WeakPolarHBondContact CB-O 3.44Å; F332-F362 AromaticContact CD1-CD1 3.99Å; F332-F362 HydrophobicContact CD1-CD1 3.99Å; F332-F362 AromaticContact CD1-CE1 3.59Å; F332-F362 HydrophobicContact CD1-CE1 3.59Å; F332-F362 HydrophobicContact CD1-CE2 4.21Å; F332-F362 HydrophobicContact CD1-CG 4.48Å; F332-F362 AromaticContact CD1-CZ 3.74Å; F332-F362 HydrophobicContact CD1-CZ 3.74Å; F332-F362 HydrophobicContact CD2-CD2 4.3Å; F332-F362 HydrophobicContact CD2-CE2 4.25Å; F332-F362 HydrophobicContact CE1-CE1 4.14Å; F332-F362 HydrophobicContact CE1-CE2 4.44Å; F332-F362 AromaticContact CE1-CZ 3.91Å; F332-F362 HydrophobicContact CE1-CZ 3.91Å; F332-F362 HydrophobicContact CE2-CE2 4.46Å; F332-F362 HydrophobicContact CG-CD1 4.03Å; F332-F362 HydrophobicContact CG-CD2 4.11Å; F332-F362 HydrophobicContact CG-CE1 4.03Å; F332-F362 HydrophobicContact CG-CE2 4.13Å; F332-F362 HydrophobicContact CG-CG 4.1Å; F332-F362 HydrophobicContact CG-CZ 4.12Å; F332-F362 HydrophobicContact CZ-CZ 4.39Å; L335-F362 HydrophobicContact CD2-CE1 4.48Å; V336-F362 HydrophobicContact CG2-CB 3.65Å; V336-F362 HydrophobicContact CG2-CD1 4.4Å; P360-F362 PolarHBondContact O-N 3.31Å; F362-N395 WeakPolarHBondContact CA-O 3.25Å; F362-N395 HydrophobicContact CB-CB 4.35Å; F362-N395 HydrophobicContact CD1-CB 4.48Å; F362-N395 HydrophobicContact CD2-CB 3.62Å; F362-N395 VanDerWaalsContact CD2-O 3.28Å; F362-N395 WeakPolarHBondContact CD2-O 3.29Å; F362-N395 HydrophobicContact CE2-CB 3.9Å; F362-N395 HydrophobicContact CG-CB 3.91Å; F362-N395 HydrophobicContact CZ-CB 4.43Å; F362-G435 WeakPolarHBondContact CE1-O 3.3Å; F362-E438 HydrophobicContact CZ-CB 4.09Å; F362-L439 HydrophobicContact CD1-CB 3.84Å; F362-L439 HydrophobicContact CD1-CD1 4.31Å; F362-L439 HydrophobicContact CD1-CD2 4.16Å; F362-L439 HydrophobicContact CD1-CG 4.32Å; F362-L439 HydrophobicContact CE1-CB 3.72Å
363T85Confident88.4Confident6 Ų636.1 Ų36.14%0.03717%0.169CC..EExtended strand (participates in β ladder)trans-111.9140.8-175.355.10000111.8D361 N395 V396 S397D361-T363 WeakPolarHBondContact OD1-CG2 3.46Å; T363-N395 PolarHBondContact N-O 3.03Å; T363-V396 WeakPolarHBondContact O-CA 3.17Å; T363-S397 PolarHBondContact O-N 3.05Å
364S87Confident88.2Confident1 Ų136.5 Ų36.51%0.00718%0.179CC..EExtended strand (participates in β ladder)trans-89.1126.9161-170.60000108.6N325 M328 S329 S397N325-S364 PolarHBondContact N-O 3.15Å; M328-S364 VanDerWaalsContact CB-OG 3.29Å; M328-S364 WeakPolarHBondContact CB-OG 3.45Å; S329-S364 PolarHBondContact OG-N 3.44Å; S329-S364 PolarHBondContact OG-O 2.9Å; S329-S364 VanDerWaalsContact OG-O 3.14Å; S364-S397 CarbonylContact C-O 3.56Å; S364-S397 WeakPolarHBondContact CA-O 3.19Å
365L92Very high88.3Confident0 Ų033.6 Ų33.60%017%0.167CC..EExtended strand (participates in β ladder)trans-122.5144.4-177-51.2178.1000110.9E298 F320 A322 V323 V324 V396 S397 L398 G399E298-L365 HydrophobicContact CB-CD1 3.73Å; E298-L365 HydrophobicContact CB-CD2 4.04Å; E298-L365 HydrophobicContact CG-CD1 3.67Å; F320-L365 HydrophobicContact CE2-CD1 4.17Å; A322-L365 HydrophobicContact CB-CB 3.64Å; A322-L365 HydrophobicContact CB-CD1 3.91Å; A322-L365 HydrophobicContact CB-CG 4.36Å; V323-L365 CarbonylContact O-C 3.55Å; V323-L365 WeakPolarHBondContact O-CA 3.4Å; V324-L365 HydrophobicContact CB-CD2 4.19Å; V324-L365 HydrophobicContact CG2-CD2 3.48Å; V324-L365 VanDerWaalsContact CG2-CD2 3.48Å; L365-V396 HydrophobicContact CB-CG1 4.32Å; L365-V396 HydrophobicContact CD1-CB 4.21Å; L365-V396 HydrophobicContact CD1-CG1 3.31Å; L365-V396 HydrophobicContact CD1-CG2 3.85Å; L365-V396 HydrophobicContact CG-CG1 3.77Å; L365-S397 PolarHBondContact N-O 2.81Å; L365-L398 HydrophobicContact CB-CD2 4.29Å; L365-L398 CarbonylContact O-C 3.59Å; L365-L398 WeakPolarHBondContact O-CA 3.19Å; L365-G399 PolarHBondContact O-N 2.97Å
366D94.1Very high88.5Confident18 Ų1829.2 Ų29.210%0.09615%0.146CC..EExtended strand (participates in β ladder)trans-99.6113.7167.4-66.3-37.2000108.9V16 A19 A322 V323 N325 V368 N400V16-D366 HydrophobicContact CG2-CB 3.85Å; A19-D366 HydrophobicContact CB-CB 4.14Å; A322-D366 VanDerWaalsContact CA-O 3.32Å; A322-D366 WeakPolarHBondContact CA-O 3.4Å; A322-D366 WeakPolarHBondContact CB-O 3.33Å; V323-D366 PolarHBondContact N-O 3.33Å; V323-D366 PolarHBondContact O-N 3.34Å; N325-D366 PolarHBondContact ND2-OD2 3.37Å; D366-V368 PolarHBondContact O-N 3.36Å; D366-N400 HydrophobicContact CB-CB 4.3Å; D366-N400 PolarHBondContact OD1-N 2.62Å; D366-N400 VanDerWaalsContact OD1-N 3.16Å
367V96.8Very high88.6Confident0 Ų020.6 Ų20.60%012%0.116CC..EExtended strand (participates in β ladder)trans-64.3122.3-178.6175.90000109.8L14 F370 L398 N400 V401L14-V367 HydrophobicContact CD1-CB 4.26Å; L14-V367 HydrophobicContact CD1-CG1 4.02Å; V367-F370 HydrophobicContact CG1-CB 3.81Å; V367-F370 HydrophobicContact CG1-CD2 4.48Å; V367-F370 HydrophobicContact CG2-CD2 4.47Å; V367-L398 HydrophobicContact CG2-CB 4.05Å; V367-L398 HydrophobicContact CG2-CD1 3.93Å; V367-L398 HydrophobicContact CG2-CD2 3.69Å; V367-L398 HydrophobicContact CG2-CG 4.09Å; V367-N400 VanDerWaalsContact N-CG 3.35Å; V367-N400 PolarHBondContact N-ND2 2.81Å; V367-N400 PolarHBondContact N-OD1 3.14Å; V367-N400 PolarHBondContact O-ND2 2.87Å; V367-V401 HydrophobicContact CB-CG2 4.35Å; V367-V401 HydrophobicContact CG2-CG2 3.82Å
368V97.1Very high88.8Confident1 Ų119.1 Ų19.11%0.00611%0.112CC..EExtended strand (participates in β ladder)trans-88.7-43.3166.9-178.40000109.7V16 V31 V321 V323 D366 L669V16-V368 HydrophobicContact CG1-CG2 4.33Å; V16-V368 HydrophobicContact CG2-CG2 3.7Å; V31-V368 HydrophobicContact CG1-CB 4.4Å; V31-V368 HydrophobicContact CG1-CG1 3.91Å; V31-V368 HydrophobicContact CG1-CG2 4.36Å; V321-V368 PolarHBondContact O-N 3Å; V323-V368 HydrophobicContact CG2-CG2 3.77Å; D366-V368 PolarHBondContact O-N 3.36Å; V368-L669 HydrophobicContact CG1-CD1 4.23Å; V368-L669 HydrophobicContact CG1-CD2 4.3Å
369T97.6Very high89.3Confident1 Ų115.3 Ų15.31%0.0069%0.092CC..EExtended strand (participates in β ladder)trans-141.8133.8-179.3-70.40000109.1T35 W39 F320 V321T35-T369 HydrophobicContact CG2-CG2 4.3Å; T35-T369 VanDerWaalsContact CG2-OG1 3.29Å; T35-T369 WeakPolarHBondContact CG2-OG1 3.47Å; T35-T369 PolarHBondContact OG1-OG1 3.49Å; T35-T369 VanDerWaalsContact OG1-OG1 3.04Å; W39-T369 HydrophobicContact CD2-CG2 4.23Å; W39-T369 HydrophobicContact CG-CG2 4.41Å; W39-T369 HydrophobicContact CZ2-CG2 3.9Å; W39-T369 PolarHBondContact NE1-OG1 2.69Å; F320-T369 CarbonylContact C-O 3.57Å; F320-T369 VanDerWaalsContact CA-O 3.22Å; F320-T369 WeakPolarHBondContact CA-O 3.35Å; V321-T369 PolarHBondContact N-O 3.27Å; V321-T369 PolarHBondContact O-N 3.33Å
370F97.8Very high89.6Confident0 Ų010.6 Ų10.60%07%0.071CC..EExtended strand (participates in β ladder)trans-137.4101.2164.7-149.1-41.3000108.4E318 S319 F320 V367 T372 I375 P376 L398 Q666E318-F370 HydrophobicContact CB-CE1 4.37Å; S319-F370 CarbonylContact O-C 3.5Å; S319-F370 WeakPolarHBondContact O-CA 3.45Å; S319-F370 WeakPolarHBondContact O-CD1 3.12Å; F320-F370 HydrophobicContact CB-CB 4.41Å; F320-F370 HydrophobicContact CB-CD1 4.04Å; F320-F370 HydrophobicContact CB-CD2 3.64Å; F320-F370 HydrophobicContact CB-CE1 4.19Å; F320-F370 HydrophobicContact CB-CE2 3.78Å; F320-F370 HydrophobicContact CB-CG 3.78Å; F320-F370 HydrophobicContact CB-CZ 4.08Å; F320-F370 HydrophobicContact CD1-CE2 4.41Å; F320-F370 HydrophobicContact CD1-CZ 4.35Å; F320-F370 HydrophobicContact CG-CE2 4.3Å; V367-F370 HydrophobicContact CG1-CB 3.81Å; V367-F370 HydrophobicContact CG1-CD2 4.48Å; V367-F370 HydrophobicContact CG2-CD2 4.47Å; F370-T372 HydrophobicContact CB-CG2 4.44Å; F370-T372 HydrophobicContact CD1-CG2 3.15Å; F370-T372 HydrophobicContact CE1-CG2 3.45Å; F370-T372 VanDerWaalsContact CE1-CG2 3.45Å; F370-T372 HydrophobicContact CG-CG2 3.89Å; F370-T372 HydrophobicContact CZ-CG2 4.39Å; F370-T372 PolarHBondContact O-N 3.09Å; F370-I375 HydrophobicContact CB-CD1 4.46Å; F370-I375 HydrophobicContact CB-CG1 4.33Å; F370-I375 HydrophobicContact CB-CG2 4.28Å; F370-I375 HydrophobicContact CD2-CG2 3.91Å; F370-I375 HydrophobicContact CG-CG2 4.27Å; F370-P376 VanDerWaalsContact CE2-CD 3.41Å; F370-P376 HydrophobicContact CE2-CG 3.59Å; F370-P376 HydrophobicContact CZ-CG 3.72Å; F370-L398 HydrophobicContact CD2-CD1 4.1Å; F370-L398 HydrophobicContact CE2-CD1 3.83Å; F370-Q666 PolarHBondContact O-NE2 3.23Å
371A97.8Very high90.3Very high0 Ų010.2 Ų10.20%07%0.068CC..EExtended strand (participates in β ladder)trans-88.491.4175.600000108.5S38 W39 F100 E318 S319S38-A371 WeakPolarHBondContact O-CB 3.48Å; W39-A371 HydrophobicContact CD2-CB 4.15Å; W39-A371 HydrophobicContact CE3-CB 3.8Å; W39-A371 HydrophobicContact CZ3-CB 4.1Å; F100-A371 HydrophobicContact CZ-CB 4.29Å; E318-A371 WeakPolarHBondContact CA-O 3.22Å; S319-A371 PolarHBondContact N-O 3.28Å; S319-A371 VanDerWaalsContact N-O 3.14Å; S319-A371 PolarHBondContact O-N 3.37Å
372T96.4Very high90.9Very high9 Ų99.4 Ų9.46%0.0556%0.064CC..SBendtrans-153.9161-176.8-176.40000110.2F100 F370 G374 I375F100-T372 WeakPolarHBondContact CD2-O 3.46Å; F100-T372 WeakPolarHBondContact CE2-O 3.38Å; F370-T372 HydrophobicContact CB-CG2 4.44Å; F370-T372 HydrophobicContact CD1-CG2 3.15Å; F370-T372 HydrophobicContact CE1-CG2 3.45Å; F370-T372 VanDerWaalsContact CE1-CG2 3.45Å; F370-T372 HydrophobicContact CG-CG2 3.89Å; F370-T372 HydrophobicContact CZ-CG2 4.39Å; F370-T372 PolarHBondContact O-N 3.09Å; T372-G374 VanDerWaalsContact CG2-C 3.44Å; T372-G374 WeakPolarHBondContact CG2-O 3.49Å; T372-G374 PolarHBondContact O-N 2.69Å; T372-I375 HydrophobicContact CG2-CG1 4.23Å
373S92.9Very high91.1Very high9 Ų911.4 Ų11.46%0.0638%0.075CC..SBendtrans-67.1-22.4173.971.50000112.8N99 S105 E316N99-S373 WeakPolarHBondContact CA-O 3.29Å; N99-S373 WeakPolarHBondContact O-CA 3.49Å; N99-S373 VanDerWaalsContact O-CB 3.32Å; N99-S373 WeakPolarHBondContact O-CB 3.46Å; S105-S373 VanDerWaalsContact CB-C 3.42Å; S105-S373 WeakPolarHBondContact CB-O 3.43Å; S105-S373 WeakPolarHBondContact CB-OG 3.36Å; S105-S373 PolarHBondContact OG-O 3.1Å; E316-S373 WeakPolarHBondContact OE1-CB 3.43Å; E316-S373 PolarHBondContact OE1-OG 2.83Å; E316-S373 WeakPolarHBondContact OE2-CB 3.26Å; E316-S373 PolarHBondContact OE2-OG 3.18Å
374G90.5Very high91.2Very high32 Ų3211.5 Ų11.533%0.338%0.075SC..SBendtrans-158.7122.917600000113.2T372 P376T372-G374 VanDerWaalsContact CG2-C 3.44Å; T372-G374 WeakPolarHBondContact CG2-O 3.49Å; T372-G374 PolarHBondContact O-N 2.69Å; G374-P376 WeakPolarHBondContact O-CD 3.45Å
375I92.9Very high90.6Very high15 Ų1514 Ų148%0.0779%0.088CC..  trans-72.5118.5-176.7-48.9-177000109.7L14 F370 T372 V401 R405 F664 Q666L14-I375 HydrophobicContact CD1-CD1 3.68Å; F370-I375 HydrophobicContact CB-CD1 4.46Å; F370-I375 HydrophobicContact CB-CG1 4.33Å; F370-I375 HydrophobicContact CB-CG2 4.28Å; F370-I375 HydrophobicContact CD2-CG2 3.91Å; F370-I375 HydrophobicContact CG-CG2 4.27Å; T372-I375 HydrophobicContact CG2-CG1 4.23Å; I375-V401 HydrophobicContact CG2-CB 4.49Å; I375-V401 HydrophobicContact CG2-CG1 4.02Å; I375-V401 HydrophobicContact CG2-CG2 3.65Å; I375-R405 PolarHBondContact O-NH2 2.97Å; I375-F664 HydrophobicContact CB-CD2 4.38Å; I375-F664 HydrophobicContact CD1-CB 3.76Å; I375-F664 HydrophobicContact CD1-CD2 3.86Å; I375-F664 HydrophobicContact CD1-CG 3.93Å; I375-F664 HydrophobicContact CG1-CD2 4.27Å; I375-Q666 HydrophobicContact CD1-CG 4.34Å
376P89.4Confident90Very high35 Ų3516.8 Ų16.823%0.22710%0.103CC..  trans-72.2178.3176.832.1-35.3000111.3F370 G374 I379 L398 V401F370-P376 VanDerWaalsContact CE2-CD 3.41Å; F370-P376 HydrophobicContact CE2-CG 3.59Å; F370-P376 HydrophobicContact CZ-CG 3.72Å; G374-P376 WeakPolarHBondContact O-CD 3.45Å; P376-I379 HydrophobicContact CB-CG2 4.15Å; P376-I379 HydrophobicContact CG-CG2 3.56Å; P376-L398 HydrophobicContact CG-CD1 4.01Å; P376-V401 WeakPolarHBondContact O-CG1 3.23Å
377V86Confident89.7Confident26 Ų2615.9 Ų15.916%0.15810%0.098CC..SBendtrans-107.3-20.9175-74.60000112.8L398 V401 L402 R405 F430V377-L398 PolarHBondContact O-N 2.84Å; V377-V401 HydrophobicContact CG1-CG1 4.35Å; V377-L402 HydrophobicContact CB-CD2 3.67Å; V377-L402 HydrophobicContact CB-CG 4.46Å; V377-L402 HydrophobicContact CG1-CD2 3.77Å; V377-R405 VanDerWaalsContact CG1-NH1 3.26Å; V377-F430 HydrophobicContact CB-CE1 4.05Å; V377-F430 HydrophobicContact CG1-CE1 4.23Å; V377-F430 HydrophobicContact CG2-CE1 3.86Å; V377-F430 HydrophobicContact CG2-CZ 3.97Å
378G85.1Confident89Confident10 Ų1018.2 Ų18.210%0.10311%0.107CC..EExtended strand (participates in β ladder)trans-155161.6172.200000108.5V396G378-V396 CarbonylContact C-O 3.49Å; G378-V396 WeakPolarHBondContact CA-O 3.36Å
379I85.9Confident87.8Confident13 Ų1322.9 Ų22.97%0.06713%0.129CC..EExtended strand (participates in β ladder)trans-142.2148.917957.9179.7000109.9F320 P376 I381 V396F320-I379 HydrophobicContact CD1-CD1 3.86Å; F320-I379 HydrophobicContact CE1-CD1 3.24Å; F320-I379 HydrophobicContact CE2-CD1 4.42Å; F320-I379 HydrophobicContact CZ-CD1 3.59Å; P376-I379 HydrophobicContact CB-CG2 4.15Å; P376-I379 HydrophobicContact CG-CG2 3.56Å; I379-I381 HydrophobicContact CD1-CD1 3.88Å; I379-I381 HydrophobicContact CD1-CG1 4.2Å; I379-I381 HydrophobicContact CG1-CG1 4.36Å; I379-V396 HydrophobicContact CD1-CB 4.09Å; I379-V396 HydrophobicContact CD1-CG1 4.17Å; I379-V396 HydrophobicContact CD1-CG2 4.38Å; I379-V396 HydrophobicContact CG1-CB 3.51Å; I379-V396 HydrophobicContact CG1-CG1 3.9Å; I379-V396 HydrophobicContact CG1-CG2 4.16Å; I379-V396 PolarHBondContact N-O 3.18Å; I379-V396 PolarHBondContact O-N 2.87Å
380N84.5Confident86.9Confident19 Ų1928.3 Ų28.310%0.10216%0.162CC..EExtended strand (participates in β ladder)trans-132.592.8177.9-170.8-39.7000110.2R388 F393 N395 E438 H442N380-R388 PolarHBondContact O-NH1 2.72Å; N380-R388 PolarHBondContact OD1-NH1 3.2Å; N380-R388 PolarHBondContact OD1-NH2 2.97Å; N380-F393 VanDerWaalsContact OD1-CD2 3.28Å; N380-F393 WeakPolarHBondContact OD1-CD2 3.26Å; N380-N395 PolarHBondContact ND2-OD1 3.11Å; N380-E438 WeakPolarHBondContact CB-OE2 3.32Å; N380-H442 VanDerWaalsContact ND2-CB 3.29Å; N380-H442 WeakPolarHBondContact ND2-CB 3.32Å
381I88.8Confident86.5Confident0 Ų030.2 Ų30.20%017%0.171CC..EExtended strand (participates in β ladder)trans-131.4163-167.547.9156.8000110.8W289 Y300 I304 F320 I379 F393 K394W289-I381 HydrophobicContact CH2-CD1 3.41Å; W289-I381 VanDerWaalsContact CH2-CD1 3.41Å; W289-I381 HydrophobicContact CH2-CG1 3.47Å; W289-I381 VanDerWaalsContact CH2-CG1 3.47Å; W289-I381 HydrophobicContact CZ2-CD1 3.84Å; W289-I381 HydrophobicContact CZ2-CG1 4.36Å; W289-I381 HydrophobicContact CZ3-CD1 4.01Å; W289-I381 HydrophobicContact CZ3-CG1 3.9Å; W289-I381 WeakPolarHBondContact CZ3-O 3.5Å; Y300-I381 HydrophobicContact CD1-CD1 3.43Å; Y300-I381 VanDerWaalsContact CD1-CD1 3.43Å; Y300-I381 HydrophobicContact CD2-CD1 4.39Å; Y300-I381 HydrophobicContact CE1-CB 4.45Å; Y300-I381 HydrophobicContact CE1-CD1 3.93Å; Y300-I381 HydrophobicContact CG-CD1 3.69Å; I304-I381 HydrophobicContact CG2-CG2 4.16Å; F320-I381 HydrophobicContact CE1-CD1 3.87Å; F320-I381 HydrophobicContact CZ-CD1 4.36Å; I379-I381 HydrophobicContact CD1-CD1 3.88Å; I379-I381 HydrophobicContact CD1-CG1 4.2Å; I379-I381 HydrophobicContact CG1-CG1 4.36Å; I381-F393 WeakPolarHBondContact O-CB 3.49Å; I381-K394 PolarHBondContact N-O 3.41Å; I381-K394 PolarHBondContact O-N 3.31Å
382P91.7Very high85.9Confident0 Ų030.4 Ų30.40%017%0.174CC..  cis-70.6165.9-3.532.9-37.6000113.4V290 Y300 Y384 V387 R388V290-P382 HydrophobicContact CG2-CG 4.22Å; Y300-P382 WeakPolarHBondContact OH-CB 3.37Å; P382-Y384 VanDerWaalsContact C-N 3.29Å; P382-Y384 HydrophobicContact CB-CD2 3.85Å; P382-V387 HydrophobicContact CG-CB 4.02Å; P382-V387 HydrophobicContact CG-CG1 3.67Å; P382-R388 VanDerWaalsContact O-CD 3.23Å; P382-R388 WeakPolarHBondContact O-CD 3.46Å; P382-R388 VanDerWaalsContact O-CG 3.27Å; P382-R388 WeakPolarHBondContact O-CG 3.46Å; P382-R388 PolarHBondContact O-NH1 3.08Å
383N84.8Confident85.4Confident45 Ų4530.5 Ų30.524%0.24117%0.174CC..  trans-83.5-1.8174.9-68.9-20.6000113.4I304 E305 D385I304-N383 PolarHBondContact O-ND2 3.22Å; E305-N383 VanDerWaalsContact CD-ND2 3.29Å; E305-N383 PolarHBondContact OE1-ND2 3Å; E305-N383 VanDerWaalsContact OE1-ND2 3.1Å; E305-N383 PolarHBondContact OE2-ND2 3.25Å; E305-N383 VanDerWaalsContact OE2-ND2 3.1Å; N383-D385 PolarHBondContact O-N 3.32Å
384Y86.1Confident85.2Confident7 Ų730.1 Ų30.13%0.02717%0.171CC..  trans-77106.9177.3-57.4-63.4000111.4Y193 H282 K283 P382 D386 V387 R388Y193-Y384 HydrophobicContact CD2-CD1 4.34Å; Y193-Y384 AromaticContact CD2-CE1 3.53Å; Y193-Y384 HydrophobicContact CD2-CE1 3.53Å; Y193-Y384 AromaticContact CE2-CD1 3.75Å; Y193-Y384 HydrophobicContact CE2-CD1 3.75Å; Y193-Y384 AromaticContact CE2-CE1 3.4Å; Y193-Y384 HydrophobicContact CE2-CE1 3.4Å; Y193-Y384 VanDerWaalsContact CE2-CE1 3.4Å; H282-Y384 AromaticContact ND1-CE2 3.37Å; H282-Y384 WeakPolarHBondContact ND1-CE2 3.44Å; H282-Y384 AromaticContact ND1-CZ 3.53Å; H282-Y384 PolarHBondContact ND1-OH 3.14Å; K283-Y384 HydrophobicContact CB-CD2 4.49Å; K283-Y384 HydrophobicContact CD-CD1 4.13Å; K283-Y384 HydrophobicContact CD-CE1 4.34Å; K283-Y384 HydrophobicContact CD-CG 4.41Å; K283-Y384 HydrophobicContact CG-CD1 3.7Å; K283-Y384 HydrophobicContact CG-CD2 3.75Å; K283-Y384 HydrophobicContact CG-CE1 3.74Å; K283-Y384 HydrophobicContact CG-CE2 3.82Å; K283-Y384 HydrophobicContact CG-CG 3.7Å; P382-Y384 VanDerWaalsContact C-N 3.29Å; P382-Y384 HydrophobicContact CB-CD2 3.85Å; Y384-D386 VanDerWaalsContact C-N 3.26Å; Y384-D386 WeakPolarHBondContact CB-OD1 3.46Å; Y384-D386 PolarHBondContact O-N 3.33Å; Y384-V387 HydrophobicContact CD2-CG2 4.37Å; Y384-V387 HydrophobicContact CG-CG2 4.41Å; Y384-V387 PolarHBondContact O-N 2.97Å; Y384-V387 VanDerWaalsContact O-N 3.08Å; Y384-R388 WeakPolarHBondContact O-CG 3.2Å; Y384-R388 PolarHBondContact O-N 3.46Å
385D75.3Confident84.9Confident53 Ų5328.6 Ų28.628%0.28316%0.155SC..Hα-helixtrans-54.6-38.4-178.5-91-25.7000113.7N383 R388 Q389N383-D385 PolarHBondContact O-N 3.32Å; D385-R388 PolarHBondContact O-N 2.7Å; D385-Q389 WeakPolarHBondContact O-CB 3.33Å; D385-Q389 WeakPolarHBondContact O-CG 3.27Å; D385-Q389 PolarHBondContact O-N 3.31Å
386D79.2Confident84.6Confident59 Ų5927.9 Ų27.932%0.31615%0.151SC..Hα-helixtrans-65-42.217866.1-44.7000111.6R287 Y384 V390R287-D386 IonicContact NH2-OD2 3.22Å; R287-D386 PolarHBondContact NH2-OD2 3.37Å; Y384-D386 VanDerWaalsContact C-N 3.26Å; Y384-D386 WeakPolarHBondContact CB-OD1 3.46Å; Y384-D386 PolarHBondContact O-N 3.33Å; D386-V390 WeakPolarHBondContact O-CB 3.43Å; D386-V390 WeakPolarHBondContact O-CG2 3.45Å; D386-V390 PolarHBondContact O-N 2.92Å
387V86.5Confident84.5Confident0 Ų026.2 Ų26.20%014%0.141CC..Hα-helixtrans-65.8-44.4174.5-177.60000110.7K283 R287 V290 P382 Y384 Q389 V390 D391 G392K283-V387 HydrophobicContact CB-CG2 4.36Å; R287-V387 HydrophobicContact CG-CB 4.42Å; R287-V387 HydrophobicContact CG-CG1 3.87Å; R287-V387 HydrophobicContact CG-CG2 3.84Å; V290-V387 HydrophobicContact CG2-CG1 4.32Å; P382-V387 HydrophobicContact CG-CB 4.02Å; P382-V387 HydrophobicContact CG-CG1 3.67Å; Y384-V387 HydrophobicContact CD2-CG2 4.37Å; Y384-V387 HydrophobicContact CG-CG2 4.41Å; Y384-V387 PolarHBondContact O-N 2.97Å; Y384-V387 VanDerWaalsContact O-N 3.08Å; V387-Q389 VanDerWaalsContact C-N 3.29Å; V387-Q389 PolarHBondContact O-N 3.48Å; V387-V390 PolarHBondContact O-N 2.96Å; V387-D391 HydrophobicContact CG1-CB 4.17Å; V387-D391 WeakPolarHBondContact O-CA 3.5Å; V387-D391 PolarHBondContact O-N 3.11Å; V387-G392 PolarHBondContact O-N 2.69Å
388R82.5Confident84.8Confident49 Ų4925 Ų2519%0.18513%0.133CC..Hα-helixtrans-59.4-39.4179-66.2173.875.779.62.7112.6N380 P382 Y384 D385 G392 F393N380-R388 PolarHBondContact O-NH1 2.72Å; N380-R388 PolarHBondContact OD1-NH1 3.2Å; N380-R388 PolarHBondContact OD1-NH2 2.97Å; P382-R388 VanDerWaalsContact O-CD 3.23Å; P382-R388 WeakPolarHBondContact O-CD 3.46Å; P382-R388 VanDerWaalsContact O-CG 3.27Å; P382-R388 WeakPolarHBondContact O-CG 3.46Å; P382-R388 PolarHBondContact O-NH1 3.08Å; Y384-R388 WeakPolarHBondContact O-CG 3.2Å; Y384-R388 PolarHBondContact O-N 3.46Å; D385-R388 PolarHBondContact O-N 2.7Å; R388-G392 WeakPolarHBondContact CA-O 3.29Å; R388-G392 WeakPolarHBondContact O-CA 3.19Å; R388-F393 HydrophobicContact CG-CB 4.35Å
389Q71.5Confident85Confident99 Ų9925 Ų2546%0.46313%0.134SC..Hα-helixtrans-79.6-36.7-177.7-71.2173.228.800113D385 V387D385-Q389 WeakPolarHBondContact O-CB 3.33Å; D385-Q389 WeakPolarHBondContact O-CG 3.27Å; D385-Q389 PolarHBondContact O-N 3.31Å; V387-Q389 VanDerWaalsContact C-N 3.29Å; V387-Q389 PolarHBondContact O-N 3.48Å
390V80.2Confident85.2Confident115 Ų11524.9 Ų24.970%0.69713%0.133SC*.Hα-helixtrans-93.6-46.4-173.5177.30000112.5D386 V387D386-V390 WeakPolarHBondContact O-CB 3.43Å; D386-V390 WeakPolarHBondContact O-CG2 3.45Å; D386-V390 PolarHBondContact O-N 2.92Å; V387-V390 PolarHBondContact O-N 2.96Å
391D87.9Confident85.6Confident39 Ų3924 Ų2421%0.20913%0.128CC..THydrogen-bonded Turntrans-103.4-31.9-173.2-60-93.9000112.2R287 V290 K291 V387R287-D391 WeakPolarHBondContact CG-OD2 3.47Å; R287-D391 IonicContact NE-OD2 4Å; V290-D391 HydrophobicContact CG1-CB 4.38Å; V290-D391 WeakPolarHBondContact CG1-O 3.14Å; K291-D391 WeakPolarHBondContact CE-OD1 3.4Å; K291-D391 IonicContact NZ-OD1 2.71Å; K291-D391 PolarHBondContact NZ-OD1 3.24Å; V387-D391 HydrophobicContact CG1-CB 4.17Å; V387-D391 WeakPolarHBondContact O-CA 3.5Å; V387-D391 PolarHBondContact O-N 3.11Å
392G85.3Confident85.5Confident5 Ų524.1 Ų24.15%0.05213%0.129CC..  trans114.1-163.7-178.800000113.1V290 V387 R388V290-G392 VanDerWaalsContact CG1-C 3.45Å; V387-G392 PolarHBondContact O-N 2.69Å; R388-G392 WeakPolarHBondContact CA-O 3.29Å; R388-G392 WeakPolarHBondContact O-CA 3.19Å
393F86.1Confident85.2Confident11 Ų1126.5 Ų26.55%0.04815%0.145CC..  trans-148.6166.6-178.857.1-80.5000109.8P360 N380 I381 R388P360-F393 HydrophobicContact CB-CD2 4.3Å; P360-F393 HydrophobicContact CB-CE2 3.99Å; P360-F393 HydrophobicContact CB-CZ 4.24Å; P360-F393 HydrophobicContact CG-CE2 4.39Å; P360-F393 HydrophobicContact CG-CZ 4.48Å; N380-F393 VanDerWaalsContact OD1-CD2 3.28Å; N380-F393 WeakPolarHBondContact OD1-CD2 3.26Å; I381-F393 WeakPolarHBondContact O-CB 3.49Å; R388-F393 HydrophobicContact CG-CB 4.35Å
394K88.9Confident85.3Confident0 Ų024.4 Ų24.40%014%0.135CC..EExtended strand (participates in β ladder)trans-114.8142.1169.3-54.5-171.2-180165.30110.2W289 D292 E298 D361 I381W289-K394 HydrophobicContact CD2-CD 4.35Å; W289-K394 HydrophobicContact CE3-CD 4.38Å; W289-K394 HydrophobicContact CE3-CG 4.38Å; W289-K394 HydrophobicContact CH2-CB 3.55Å; W289-K394 HydrophobicContact CH2-CD 3.63Å; W289-K394 HydrophobicContact CH2-CG 3.69Å; W289-K394 HydrophobicContact CZ2-CB 4.28Å; W289-K394 HydrophobicContact CZ2-CD 3.59Å; W289-K394 HydrophobicContact CZ2-CG 4.2Å; W289-K394 HydrophobicContact CZ3-CB 3.94Å; W289-K394 HydrophobicContact CZ3-CD 4.03Å; W289-K394 HydrophobicContact CZ3-CG 3.78Å; W289-K394 WeakPolarHBondContact O-CE 3.27Å; W289-K394 PolarHBondContact O-NZ 2.72Å; D292-K394 WeakPolarHBondContact O-CE 3.47Å; D292-K394 PolarHBondContact O-NZ 3.43Å; E298-K394 IonicContact OE1-NZ 3.52Å; E298-K394 PolarHBondContact OE1-NZ 2.95Å; E298-K394 WeakPolarHBondContact OE2-CD 3.33Å; E298-K394 IonicContact OE2-NZ 3.21Å; E298-K394 PolarHBondContact OE2-NZ 2.91Å; D361-K394 HydrophobicContact CB-CB 4.39Å; D361-K394 HydrophobicContact CB-CD 4.22Å; D361-K394 HydrophobicContact CB-CG 3.98Å; I381-K394 PolarHBondContact N-O 3.41Å; I381-K394 PolarHBondContact O-N 3.31Å
395N84.7Confident85.1Confident0 Ų026.9 Ų26.90%014%0.144CC..EExtended strand (participates in β ladder)trans-104.2134.4169.4-60.7-55.3000108P360 D361 F362 T363 N380 E438P360-N395 WeakPolarHBondContact CB-ND2 3.39Å; P360-N395 VanDerWaalsContact CG-ND2 3.27Å; P360-N395 WeakPolarHBondContact CG-ND2 3.29Å; D361-N395 PolarHBondContact O-N 2.87Å; F362-N395 WeakPolarHBondContact CA-O 3.25Å; F362-N395 HydrophobicContact CB-CB 4.35Å; F362-N395 HydrophobicContact CD1-CB 4.48Å; F362-N395 HydrophobicContact CD2-CB 3.62Å; F362-N395 VanDerWaalsContact CD2-O 3.28Å; F362-N395 WeakPolarHBondContact CD2-O 3.29Å; F362-N395 HydrophobicContact CE2-CB 3.9Å; F362-N395 HydrophobicContact CG-CB 3.91Å; F362-N395 HydrophobicContact CZ-CB 4.43Å; T363-N395 PolarHBondContact N-O 3.03Å; N380-N395 PolarHBondContact ND2-OD1 3.11Å; N395-E438 HydrophobicContact CB-CB 4.18Å; N395-E438 PolarHBondContact OD1-O 3.41Å
396V86.6Confident85.3Confident0 Ų026.3 Ų26.30%014%0.139CC..EExtended strand (participates in β ladder)trans-131.9132.1-177.8164.70000108.7T363 L365 G378 I379 L398T363-V396 WeakPolarHBondContact O-CA 3.17Å; L365-V396 HydrophobicContact CB-CG1 4.32Å; L365-V396 HydrophobicContact CD1-CB 4.21Å; L365-V396 HydrophobicContact CD1-CG1 3.31Å; L365-V396 HydrophobicContact CD1-CG2 3.85Å; L365-V396 HydrophobicContact CG-CG1 3.77Å; G378-V396 CarbonylContact C-O 3.49Å; G378-V396 WeakPolarHBondContact CA-O 3.36Å; I379-V396 HydrophobicContact CD1-CB 4.09Å; I379-V396 HydrophobicContact CD1-CG1 4.17Å; I379-V396 HydrophobicContact CD1-CG2 4.38Å; I379-V396 HydrophobicContact CG1-CB 3.51Å; I379-V396 HydrophobicContact CG1-CG1 3.9Å; I379-V396 HydrophobicContact CG1-CG2 4.16Å; I379-V396 PolarHBondContact N-O 3.18Å; I379-V396 PolarHBondContact O-N 2.87Å; V396-L398 HydrophobicContact CG1-CD2 3.44Å; V396-L398 VanDerWaalsContact CG1-CD2 3.44Å; V396-L398 HydrophobicContact CG1-CG 4.25Å
397S87.6Confident85Confident1 Ų129.8 Ų29.81%0.00715%0.151CC..EExtended strand (participates in β ladder)trans-107.1127167.9177.30000109.1T363 S364 L365 G399 L402T363-S397 PolarHBondContact O-N 3.05Å; S364-S397 CarbonylContact C-O 3.56Å; S364-S397 WeakPolarHBondContact CA-O 3.19Å; L365-S397 PolarHBondContact N-O 2.81Å; S397-G399 PolarHBondContact O-N 3.4Å; S397-L402 WeakPolarHBondContact OG-CD1 3.44Å
398L91.5Very high84.3Confident0 Ų035.2 Ų35.20%018%0.18CC..EExtended strand (participates in β ladder)trans-92.585.9-177-56.5-179.7000110L365 V367 F370 P376 V377 V396 N400 V401 L402L365-L398 HydrophobicContact CB-CD2 4.29Å; L365-L398 CarbonylContact O-C 3.59Å; L365-L398 WeakPolarHBondContact O-CA 3.19Å; V367-L398 HydrophobicContact CG2-CB 4.05Å; V367-L398 HydrophobicContact CG2-CD1 3.93Å; V367-L398 HydrophobicContact CG2-CD2 3.69Å; V367-L398 HydrophobicContact CG2-CG 4.09Å; F370-L398 HydrophobicContact CD2-CD1 4.1Å; F370-L398 HydrophobicContact CE2-CD1 3.83Å; P376-L398 HydrophobicContact CG-CD1 4.01Å; V377-L398 PolarHBondContact O-N 2.84Å; V396-L398 HydrophobicContact CG1-CD2 3.44Å; V396-L398 VanDerWaalsContact CG1-CD2 3.44Å; V396-L398 HydrophobicContact CG1-CG 4.25Å; L398-N400 PolarHBondContact O-N 2.93Å; L398-V401 HydrophobicContact CB-CB 3.98Å; L398-V401 HydrophobicContact CB-CG2 3.77Å; L398-V401 HydrophobicContact CD1-CG2 4.36Å; L398-V401 WeakPolarHBondContact O-CB 3.45Å; L398-V401 PolarHBondContact O-N 2.96Å; L398-V401 VanDerWaalsContact O-N 3.1Å; L398-L402 WeakPolarHBondContact O-CG 3.22Å; L398-L402 PolarHBondContact O-N 3.08Å
399G88.8Confident83.7Confident11 Ų1133.6 Ų33.611%0.11318%0.176CC..Hα-helixtrans-56.3-53.4-16900000113L365 S397 V401 L402 S403L365-G399 PolarHBondContact O-N 2.97Å; S397-G399 PolarHBondContact O-N 3.4Å; G399-V401 VanDerWaalsContact C-N 3.26Å; G399-V401 PolarHBondContact O-N 3.07Å; G399-L402 VanDerWaalsContact O-CB 3.31Å; G399-L402 WeakPolarHBondContact O-CB 3.41Å; G399-L402 PolarHBondContact O-N 3.14Å; G399-L402 VanDerWaalsContact O-N 3.12Å; G399-S403 PolarHBondContact O-N 2.87Å; G399-S403 PolarHBondContact O-OG 3.22Å
400N91.5Very high83.8Confident10 Ų1032.2 Ų32.25%0.05317%0.169CC..Hα-helixtrans-65.3-24.8178.267.8-13.3000114.7D15 D366 V367 L398 A404D15-N400 WeakPolarHBondContact O-CB 3.37Å; D15-N400 PolarHBondContact O-ND2 3.05Å; D366-N400 HydrophobicContact CB-CB 4.3Å; D366-N400 PolarHBondContact OD1-N 2.62Å; D366-N400 VanDerWaalsContact OD1-N 3.16Å; V367-N400 VanDerWaalsContact N-CG 3.35Å; V367-N400 PolarHBondContact N-ND2 2.81Å; V367-N400 PolarHBondContact N-OD1 3.14Å; V367-N400 PolarHBondContact O-ND2 2.87Å; L398-N400 PolarHBondContact O-N 2.93Å; N400-A404 WeakPolarHBondContact O-CB 3.45Å; N400-A404 PolarHBondContact O-N 3.48Å
401V92.1Very high83.8Confident0 Ų028.4 Ų28.40%015%0.147CC..Hα-helixtrans-72.8-41.4172.4-174.20000110.4L14 V367 I375 P376 V377 L398 G399 A404 R405 F664L14-V401 HydrophobicContact CD1-CG2 4.19Å; L14-V401 HydrophobicContact CD2-CB 4.25Å; L14-V401 HydrophobicContact CD2-CG2 3.81Å; V367-V401 HydrophobicContact CB-CG2 4.35Å; V367-V401 HydrophobicContact CG2-CG2 3.82Å; I375-V401 HydrophobicContact CG2-CB 4.49Å; I375-V401 HydrophobicContact CG2-CG1 4.02Å; I375-V401 HydrophobicContact CG2-CG2 3.65Å; P376-V401 WeakPolarHBondContact O-CG1 3.23Å; V377-V401 HydrophobicContact CG1-CG1 4.35Å; L398-V401 HydrophobicContact CB-CB 3.98Å; L398-V401 HydrophobicContact CB-CG2 3.77Å; L398-V401 HydrophobicContact CD1-CG2 4.36Å; L398-V401 WeakPolarHBondContact O-CB 3.45Å; L398-V401 PolarHBondContact O-N 2.96Å; L398-V401 VanDerWaalsContact O-N 3.1Å; G399-V401 VanDerWaalsContact C-N 3.26Å; G399-V401 PolarHBondContact O-N 3.07Å; V401-A404 PolarHBondContact O-N 3.3Å; V401-R405 WeakPolarHBondContact O-CG 3.42Å; V401-R405 PolarHBondContact O-N 2.82Å; V401-R405 VanDerWaalsContact O-N 3.08Å; V401-F664 HydrophobicContact CG1-CE1 4.36Å; V401-F664 HydrophobicContact CG1-CZ 4.08Å
402L86Confident83.8Confident3 Ų328 Ų282%0.01614%0.144CC..Hα-helixtrans-56.7-58.8172.6-68.8176.1000110.5V377 S397 L398 G399 A404 R405 F406 F430 E431V377-L402 HydrophobicContact CB-CD2 3.67Å; V377-L402 HydrophobicContact CB-CG 4.46Å; V377-L402 HydrophobicContact CG1-CD2 3.77Å; S397-L402 WeakPolarHBondContact OG-CD1 3.44Å; L398-L402 WeakPolarHBondContact O-CG 3.22Å; L398-L402 PolarHBondContact O-N 3.08Å; G399-L402 VanDerWaalsContact O-CB 3.31Å; G399-L402 WeakPolarHBondContact O-CB 3.41Å; G399-L402 PolarHBondContact O-N 3.14Å; G399-L402 VanDerWaalsContact O-N 3.12Å; L402-A404 VanDerWaalsContact C-N 3.26Å; L402-A404 PolarHBondContact O-N 3.44Å; L402-R405 PolarHBondContact O-N 3.48Å; L402-F406 HydrophobicContact CD2-CE2 4.47Å; L402-F406 WeakPolarHBondContact O-CD2 3.29Å; L402-F406 PolarHBondContact O-N 3.42Å; L402-F406 VanDerWaalsContact O-N 3.12Å; L402-F430 HydrophobicContact CD2-CD1 3.23Å; L402-F430 HydrophobicContact CD2-CE1 3.21Å; L402-F430 HydrophobicContact CD2-CG 4.48Å; L402-F430 HydrophobicContact CD2-CZ 4.46Å; L402-E431 HydrophobicContact CD1-CG 4.47Å
403S85.8Confident84.2Confident49 Ų4928.3 Ų28.334%0.34314%0.144SC..Hα-helixtrans-59.5-37.4-178.5-57.80000112.1G399 R405 F406 K407 E427G399-S403 PolarHBondContact O-N 2.87Å; G399-S403 PolarHBondContact O-OG 3.22Å; S403-R405 PolarHBondContact O-N 3.45Å; S403-F406 PolarHBondContact O-N 3.31Å; S403-K407 PolarHBondContact O-N 3.14Å; S403-E427 WeakPolarHBondContact CA-OE1 3.36Å; S403-E427 WeakPolarHBondContact CB-OE1 3.42Å; S403-E427 PolarHBondContact OG-OE1 3.26Å
404A87.1Confident84.6Confident2 Ų228.1 Ų28.12%0.01714%0.143CC..Hα-helixtrans-64-37.817600000113.1H12 L14 N400 V401 L402 F664H12-A404 HydrophobicContact CB-CB 4.24Å; H12-A404 PolarHBondContact CD2-O 2.95Å; H12-A404 VanDerWaalsContact CD2-O 3.27Å; L14-A404 HydrophobicContact CD2-CB 4.05Å; N400-A404 WeakPolarHBondContact O-CB 3.45Å; N400-A404 PolarHBondContact O-N 3.48Å; V401-A404 PolarHBondContact O-N 3.3Å; L402-A404 VanDerWaalsContact C-N 3.26Å; L402-A404 PolarHBondContact O-N 3.44Å; A404-F664 HydrophobicContact CB-CD1 4.37Å; A404-F664 HydrophobicContact CB-CE1 3.84Å
405R82.3Confident84.9Confident58 Ų5830.2 Ų30.222%0.21915%0.151CC..Hα-helixtrans-71.9-30.5177.4-73.3-178.9180-1646.7113.2I375 V377 V401 L402 S403 R661 F664I375-R405 PolarHBondContact O-NH2 2.97Å; V377-R405 VanDerWaalsContact CG1-NH1 3.26Å; V401-R405 WeakPolarHBondContact O-CG 3.42Å; V401-R405 PolarHBondContact O-N 2.82Å; V401-R405 VanDerWaalsContact O-N 3.08Å; L402-R405 PolarHBondContact O-N 3.48Å; S403-R405 PolarHBondContact O-N 3.45Å; R405-R661 VanDerWaalsContact NH2-NH2 3.19Å; R405-F664 HydrophobicContact CG-CE1 4.41Å; R405-F664 HydrophobicContact CG-CZ 3.81Å
406F79.5Confident85.3Confident42 Ų4236.8 Ų36.818%0.18418%0.182CC..Hα-helixtrans-924.7-178.2-71.4-70.8000114.3L402 S403 D408 P409 A426 E427 F430L402-F406 HydrophobicContact CD2-CE2 4.47Å; L402-F406 WeakPolarHBondContact O-CD2 3.29Å; L402-F406 PolarHBondContact O-N 3.42Å; L402-F406 VanDerWaalsContact O-N 3.12Å; S403-F406 PolarHBondContact O-N 3.31Å; F406-D408 PolarHBondContact O-N 3.01Å; F406-P409 HydrophobicContact CD1-CB 4.28Å; F406-P409 WeakPolarHBondContact O-CD 3.49Å; F406-A426 HydrophobicContact CD1-CB 3.68Å; F406-A426 HydrophobicContact CE1-CB 3.81Å; F406-E427 HydrophobicContact CB-CB 4.08Å; F406-E427 HydrophobicContact CD2-CB 4.34Å; F406-E427 HydrophobicContact CD2-CG 4.47Å; F406-E427 HydrophobicContact CG-CB 4.18Å; F406-F430 HydrophobicContact CE1-CB 4.41Å; F406-F430 HydrophobicContact CE2-CB 3.53Å; F406-F430 AromaticContact CE2-CD1 3.73Å; F406-F430 HydrophobicContact CE2-CD1 3.73Å; F406-F430 HydrophobicContact CE2-CD2 4.04Å; F406-F430 HydrophobicContact CE2-CE1 4.4Å; F406-F430 AromaticContact CE2-CG 3.48Å; F406-F430 HydrophobicContact CE2-CG 3.48Å; F406-F430 VanDerWaalsContact CE2-CG 3.48Å; F406-F430 HydrophobicContact CZ-CB 3.42Å; F406-F430 VanDerWaalsContact CZ-CB 3.42Å; F406-F430 HydrophobicContact CZ-CD1 4.08Å; F406-F430 AromaticContact CZ-CD2 3.51Å; F406-F430 HydrophobicContact CZ-CD2 3.51Å; F406-F430 HydrophobicContact CZ-CE2 4.23Å; F406-F430 AromaticContact CZ-CG 3.39Å; F406-F430 HydrophobicContact CZ-CG 3.39Å
407K72.8Confident85.6Confident132 Ų13243.6 Ų43.657%0.57421%0.214SC*.THydrogen-bonded Turntrans-58.1-31.1168.9-77.6-179.1178.6175.50113.1S403S403-K407 PolarHBondContact O-N 3.14Å
408D71.7Confident85.9Confident113 Ų11344 Ų4460%0.60422%0.216SC*.SBendtrans-138.682.7174-175.814.4000108.7F406 K410F406-D408 PolarHBondContact O-N 3.01Å; D408-K410 PolarHBondContact O-N 3.07Å; D408-K410 VanDerWaalsContact O-N 3.14Å
409P69.1Low86Confident16 Ų1646.9 Ų46.910%0.10423%0.229CC..  trans-65.6118.9-176.127.9-33000109.3F406 S411 Y422 V423 A426F406-P409 HydrophobicContact CD1-CB 4.28Å; F406-P409 WeakPolarHBondContact O-CD 3.49Å; P409-S411 PolarHBondContact O-N 2.67Å; P409-Y422 HydrophobicContact CB-CE1 4.32Å; P409-V423 HydrophobicContact CG-CB 4.2Å; P409-V423 HydrophobicContact CG-CG1 4.03Å; P409-V423 HydrophobicContact CG-CG2 3.9Å; P409-A426 HydrophobicContact CB-CB 4.03Å
410K73.7Confident86.2Confident69 Ų6953.1 Ų53.130%0.325%0.252SS..  trans-56.1110.5175.9-76.1-163.5-179.3-173.50110.5D408 E412 R539 K659 P660D408-K410 PolarHBondContact O-N 3.07Å; D408-K410 VanDerWaalsContact O-N 3.14Å; K410-E412 VanDerWaalsContact CB-OE2 3.26Å; K410-E412 WeakPolarHBondContact CB-OE2 3.49Å; K410-R539 VanDerWaalsContact CB-NH2 3.3Å; K410-R539 PolarHBondContact O-NE 2.85Å; K410-R539 PolarHBondContact O-NH1 2.84Å; K410-R539 PolarHBondContact O-NH2 3.49Å; K410-K659 PolarHBondContact NZ-O 3.48Å; K410-P660 PolarHBondContact NZ-O 3.48Å; K410-P660 VanDerWaalsContact NZ-O 3.14Å
411S82Confident86.2Confident36 Ų3654.2 Ų54.225%0.25226%0.258SS..  trans-108.218.7-177.175.30000113.4P409 I414P409-S411 PolarHBondContact O-N 2.67Å; S411-I414 WeakPolarHBondContact O-CB 3.25Å; S411-I414 PolarHBondContact O-N 2.98Å
412E86.3Confident86.3Confident30 Ų3054.7 Ų54.714%0.1426%0.26CS..THydrogen-bonded Turntrans-59.8141.9176.1-55.880.6-176.100109.9K410 I414 R539 K659K410-E412 VanDerWaalsContact CB-OE2 3.26Å; K410-E412 WeakPolarHBondContact CB-OE2 3.49Å; E412-I414 PolarHBondContact O-N 2.82Å; E412-I414 VanDerWaalsContact O-N 3.12Å; E412-R539 WeakPolarHBondContact O-CD 3.41Å; E412-R539 PolarHBondContact O-NE 3.29Å; E412-R539 IonicContact OE2-CZ 3.77Å; E412-R539 IonicContact OE2-NH2 3.72Å; E412-R539 PolarHBondContact OE2-NH2 3.44Å; E412-K659 WeakPolarHBondContact OE1-CD 3.34Å; E412-K659 WeakPolarHBondContact OE1-CE 3.33Å; E412-K659 IonicContact OE1-NZ 3.37Å; E412-K659 PolarHBondContact OE1-NZ 2.87Å
413F94.7Very high86.5Confident11 Ų1158 Ų585%0.04828%0.28CS..THydrogen-bonded Turntrans65.31.2-178.5-36.7-47.4000115.7V542 T543 D596 L597 T598 I599 V654 R657F413-V542 HydrophobicContact CD2-CG1 4.08Å; F413-V542 HydrophobicContact CE2-CG1 4.34Å; F413-T543 HydrophobicContact CD2-CG2 3.9Å; F413-T543 HydrophobicContact CE2-CG2 3.7Å; F413-D596 WeakPolarHBondContact CD1-OD1 3.09Å; F413-D596 WeakPolarHBondContact CE1-OD1 3.23Å; F413-L597 WeakPolarHBondContact CA-O 3.45Å; F413-L597 HydrophobicContact CB-CB 4.39Å; F413-L597 HydrophobicContact CD1-CB 3.6Å; F413-L597 HydrophobicContact CD1-CG 4.35Å; F413-L597 WeakPolarHBondContact CD1-O 3.48Å; F413-L597 HydrophobicContact CE1-CB 4.04Å; F413-L597 HydrophobicContact CE1-CD1 4.41Å; F413-L597 HydrophobicContact CE1-CG 4.3Å; F413-L597 HydrophobicContact CG-CB 4.06Å; F413-T598 CarbonylContact O-C 3.54Å; F413-T598 WeakPolarHBondContact O-CA 3.07Å; F413-I599 HydrophobicContact CB-CD1 3.89Å; F413-I599 HydrophobicContact CB-CG1 3.99Å; F413-I599 PolarHBondContact O-N 2.95Å; F413-V654 HydrophobicContact CE2-CG2 4.18Å; F413-V654 HydrophobicContact CZ-CG2 4.22Å; F413-R657 HydrophobicContact CE1-CB 3.91Å; F413-R657 HydrophobicContact CE1-CG 4.08Å; F413-R657 HydrophobicContact CZ-CB 3.84Å; F413-R657 HydrophobicContact CZ-CG 4.44Å
414I94.9Very high86.7Confident7 Ų759.8 Ų59.84%0.03629%0.286CS..BIsolated β-bridgetrans-81.6132172.7-58.6-56.5000109.7S411 E412 D418 K419 Y422 L535 R539S411-I414 WeakPolarHBondContact O-CB 3.25Å; S411-I414 PolarHBondContact O-N 2.98Å; E412-I414 PolarHBondContact O-N 2.82Å; E412-I414 VanDerWaalsContact O-N 3.12Å; I414-D418 HydrophobicContact CG2-CB 3.66Å; I414-K419 HydrophobicContact CB-CG 4.25Å; I414-K419 HydrophobicContact CG2-CG 3.93Å; I414-K419 VanDerWaalsContact O-CE 3.3Å; I414-K419 WeakPolarHBondContact O-CE 3.32Å; I414-Y422 HydrophobicContact CD1-CD2 4.23Å; I414-Y422 HydrophobicContact CD1-CE2 4.31Å; I414-Y422 HydrophobicContact CG1-CD2 4.35Å; I414-Y422 HydrophobicContact CG1-CG 4.43Å; I414-L535 HydrophobicContact CD1-CD1 3.94Å; I414-L535 HydrophobicContact CD1-CD2 4.03Å; I414-L535 HydrophobicContact CD1-CG 3.8Å; I414-L535 HydrophobicContact CG2-CD2 4.43Å; I414-R539 HydrophobicContact CD1-CB 4.18Å; I414-R539 HydrophobicContact CD1-CG 4.28Å
415R95Very high87Confident44 Ų4462.2 Ų62.217%0.16630%0.297CS..  trans-61.7145.3175.7-66.1-179.9-52.2140.18.4110.8E417 D418 K419 T598 I599R415-E417 HydrophobicContact CB-CG 4.12Å; R415-E417 IonicContact CZ-OE1 3.02Å; R415-E417 VanDerWaalsContact NH1-CD 3.33Å; R415-E417 IonicContact NH1-OE1 3.42Å; R415-E417 PolarHBondContact NH1-OE1 3.42Å; R415-E417 IonicContact NH1-OE2 2.83Å; R415-E417 IonicContact NH2-OE1 3.33Å; R415-E417 PolarHBondContact NH2-OE1 3.23Å; R415-E417 PolarHBondContact O-N 3.04Å; R415-E417 VanDerWaalsContact O-N 3.15Å; R415-D418 IonicContact CZ-OD2 2.86Å; R415-D418 VanDerWaalsContact CZ-OD2 3.3Å; R415-D418 IonicContact NE-OD2 2.75Å; R415-D418 PolarHBondContact NE-OD2 2.89Å; R415-D418 VanDerWaalsContact NE-OD2 3.1Å; R415-D418 IonicContact NH2-OD1 2.88Å; R415-D418 IonicContact NH2-OD2 3.64Å; R415-D418 PolarHBondContact NH2-OD2 2.79Å; R415-D418 WeakPolarHBondContact O-CA 3.4Å; R415-D418 PolarHBondContact O-N 2.73Å; R415-K419 PolarHBondContact O-N 2.93Å; R415-K419 VanDerWaalsContact O-N 3.1Å; R415-T598 WeakPolarHBondContact CG-OG1 3.13Å; R415-I599 WeakPolarHBondContact CD-O 3.35Å; R415-I599 WeakPolarHBondContact CG-O 3.47Å; R415-I599 PolarHBondContact NE-O 2.96Å
416E91.6Very high87.4Confident138 Ų13859.5 Ų59.565%0.64529%0.287SS*.Hα-helixtrans-51-41.5179.7-68.4-55.2140.200113.3D418 K419E416-D418 PolarHBondContact O-N 3.01Å; E416-K419 PolarHBondContact O-N 3.27Å; E416-K419 VanDerWaalsContact OE1-CE 3.22Å; E416-K419 WeakPolarHBondContact OE1-CE 3.34Å; E416-K419 IonicContact OE1-NZ 3.92Å; E416-K419 PolarHBondContact OE1-NZ 3.32Å; E416-K419 WeakPolarHBondContact OE2-CD 3.42Å; E416-K419 IonicContact OE2-NZ 2.74Å
417E93.7Very high87.8Confident143 Ų14361.1 Ų61.167%0.66830%0.295SS*.Hα-helixtrans-63.7-25.3178.563.5-175.3-13200113.9R415R415-E417 HydrophobicContact CB-CG 4.12Å; R415-E417 IonicContact CZ-OE1 3.02Å; R415-E417 VanDerWaalsContact NH1-CD 3.33Å; R415-E417 IonicContact NH1-OE1 3.42Å; R415-E417 PolarHBondContact NH1-OE1 3.42Å; R415-E417 IonicContact NH1-OE2 2.83Å; R415-E417 IonicContact NH2-OE1 3.33Å; R415-E417 PolarHBondContact NH2-OE1 3.23Å; R415-E417 PolarHBondContact O-N 3.04Å; R415-E417 VanDerWaalsContact O-N 3.15Å
418D94.9Very high88.6Confident11 Ų1156.6 Ų56.66%0.05928%0.28CS..Hα-helixtrans-96.5-15.9179.7-68-52.4000112.6I414 R415 E416 K420 L421 Y422 Y531 L535I414-D418 HydrophobicContact CG2-CB 3.66Å; R415-D418 IonicContact CZ-OD2 2.86Å; R415-D418 VanDerWaalsContact CZ-OD2 3.3Å; R415-D418 IonicContact NE-OD2 2.75Å; R415-D418 PolarHBondContact NE-OD2 2.89Å; R415-D418 VanDerWaalsContact NE-OD2 3.1Å; R415-D418 IonicContact NH2-OD1 2.88Å; R415-D418 IonicContact NH2-OD2 3.64Å; R415-D418 PolarHBondContact NH2-OD2 2.79Å; R415-D418 WeakPolarHBondContact O-CA 3.4Å; R415-D418 PolarHBondContact O-N 2.73Å; E416-D418 PolarHBondContact O-N 3.01Å; D418-K420 PolarHBondContact O-N 2.98Å; D418-L421 WeakPolarHBondContact O-CB 3.31Å; D418-L421 PolarHBondContact O-N 3.28Å; D418-Y422 VanDerWaalsContact O-CB 3.32Å; D418-Y422 WeakPolarHBondContact O-CB 3.34Å; D418-Y422 PolarHBondContact O-N 2.98Å; D418-Y531 VanDerWaalsContact CG-OH 3.22Å; D418-Y531 VanDerWaalsContact OD1-CE1 3.3Å; D418-Y531 WeakPolarHBondContact OD1-CE1 3.43Å; D418-Y531 PolarHBondContact OD1-OH 3.16Å; D418-Y531 PolarHBondContact OD2-OH 2.84Å; D418-L535 HydrophobicContact CB-CD2 3.96Å
419K92.4Very high89.6Confident60 Ų6051.3 Ų51.326%0.26125%0.252SS..Hα-helixtrans-60.6-50.1-170.9-79.7-173.2-177176.40113.3I414 R415 E416 L421 Y422 V423I414-K419 HydrophobicContact CB-CG 4.25Å; I414-K419 HydrophobicContact CG2-CG 3.93Å; I414-K419 VanDerWaalsContact O-CE 3.3Å; I414-K419 WeakPolarHBondContact O-CE 3.32Å; R415-K419 PolarHBondContact O-N 2.93Å; R415-K419 VanDerWaalsContact O-N 3.1Å; E416-K419 PolarHBondContact O-N 3.27Å; E416-K419 VanDerWaalsContact OE1-CE 3.22Å; E416-K419 WeakPolarHBondContact OE1-CE 3.34Å; E416-K419 IonicContact OE1-NZ 3.92Å; E416-K419 PolarHBondContact OE1-NZ 3.32Å; E416-K419 WeakPolarHBondContact OE2-CD 3.42Å; E416-K419 IonicContact OE2-NZ 2.74Å; K419-L421 VanDerWaalsContact C-N 3.31Å; K419-L421 PolarHBondContact O-N 2.77Å; K419-Y422 WeakPolarHBondContact O-CB 3.07Å; K419-Y422 PolarHBondContact O-N 3.12Å; K419-V423 VanDerWaalsContact O-CG2 3.26Å; K419-V423 WeakPolarHBondContact O-CG2 3.34Å; K419-V423 PolarHBondContact O-N 2.89Å
420K92.3Very high90.6Very high141 Ų14152.9 Ų52.961%0.61326%0.257SS*.Hα-helixtrans-60.4-46.5179.6174164.717443.70110.8D418 Y422 V423 D424D418-K420 PolarHBondContact O-N 2.98Å; K420-Y422 VanDerWaalsContact C-N 3.32Å; K420-Y422 PolarHBondContact O-N 2.92Å; K420-V423 PolarHBondContact O-N 2.8Å; K420-D424 WeakPolarHBondContact CE-OD2 3.25Å; K420-D424 WeakPolarHBondContact CG-OD2 3.39Å; K420-D424 VanDerWaalsContact NZ-CG 3.29Å; K420-D424 IonicContact NZ-OD1 3.58Å; K420-D424 PolarHBondContact NZ-OD1 3.04Å; K420-D424 IonicContact NZ-OD2 3.11Å; K420-D424 PolarHBondContact NZ-OD2 2.8Å; K420-D424 WeakPolarHBondContact O-CB 3.5Å; K420-D424 PolarHBondContact O-N 2.75Å
421L92.9Very high91.3Very high33 Ų3350.9 Ų50.917%0.17325%0.249CC..Hα-helixtrans-59-45178.5-173.476.5000111.7D418 K419 D424 H425 D528 Y531 V532D418-L421 WeakPolarHBondContact O-CB 3.31Å; D418-L421 PolarHBondContact O-N 3.28Å; K419-L421 VanDerWaalsContact C-N 3.31Å; K419-L421 PolarHBondContact O-N 2.77Å; L421-D424 PolarHBondContact O-N 3.23Å; L421-H425 PolarHBondContact O-CD2 3.15Å; L421-H425 PolarHBondContact O-N 3.14Å; L421-D528 HydrophobicContact CD1-CB 3.76Å; L421-Y531 HydrophobicContact CD2-CD1 3.47Å; L421-Y531 VanDerWaalsContact CD2-CD1 3.47Å; L421-Y531 HydrophobicContact CD2-CE1 3.71Å; L421-V532 HydrophobicContact CD2-CG2 4.08Å; L421-V532 HydrophobicContact CG-CG2 3.9Å
422Y93.7Very high91.7Very high11 Ų1149.1 Ų49.14%0.04324%0.237CC..Hα-helixtrans-58.7-51.4177.1-172.4-91.1000110.9P409 I414 D418 K419 K420 D424 H425 A426 V532 L535 S536P409-Y422 HydrophobicContact CB-CE1 4.32Å; I414-Y422 HydrophobicContact CD1-CD2 4.23Å; I414-Y422 HydrophobicContact CD1-CE2 4.31Å; I414-Y422 HydrophobicContact CG1-CD2 4.35Å; I414-Y422 HydrophobicContact CG1-CG 4.43Å; D418-Y422 VanDerWaalsContact O-CB 3.32Å; D418-Y422 WeakPolarHBondContact O-CB 3.34Å; D418-Y422 PolarHBondContact O-N 2.98Å; K419-Y422 WeakPolarHBondContact O-CB 3.07Å; K419-Y422 PolarHBondContact O-N 3.12Å; K420-Y422 VanDerWaalsContact C-N 3.32Å; K420-Y422 PolarHBondContact O-N 2.92Å; Y422-D424 PolarHBondContact O-N 2.79Å; Y422-H425 PolarHBondContact O-N 2.61Å; Y422-A426 HydrophobicContact CD1-CB 4.43Å; Y422-A426 HydrophobicContact CE1-CB 4.27Å; Y422-A426 WeakPolarHBondContact O-CA 3.47Å; Y422-A426 WeakPolarHBondContact O-CB 3.12Å; Y422-A426 PolarHBondContact O-N 3.23Å; Y422-V532 HydrophobicContact CD2-CG1 3.92Å; Y422-V532 HydrophobicContact CE2-CG1 4.31Å; Y422-V532 HydrophobicContact CG-CG1 4.45Å; Y422-L535 HydrophobicContact CD2-CD2 4.1Å; Y422-L535 HydrophobicContact CD2-CG 4.31Å; Y422-S536 WeakPolarHBondContact CE2-OG 3.34Å; Y422-S536 PolarHBondContact OH-OG 3.26Å
423V90.7Very high92.1Very high71 Ų7148.1 Ų48.143%0.4323%0.232SC..Hα-helixtrans-59.2-46.4179.3173.70000111.3P409 K419 K420 H425P409-V423 HydrophobicContact CG-CB 4.2Å; P409-V423 HydrophobicContact CG-CG1 4.03Å; P409-V423 HydrophobicContact CG-CG2 3.9Å; K419-V423 VanDerWaalsContact O-CG2 3.26Å; K419-V423 WeakPolarHBondContact O-CG2 3.34Å; K419-V423 PolarHBondContact O-N 2.89Å; K420-V423 PolarHBondContact O-N 2.8Å; V423-H425 PolarHBondContact O-N 3.2Å
424D90.4Very high91.9Very high88 Ų8848 Ų4847%0.47123%0.232SC..Hα-helixtrans-65.2-24.7-176.7-67.9-16.1000113.1K420 L421 Y422K420-D424 WeakPolarHBondContact CE-OD2 3.25Å; K420-D424 WeakPolarHBondContact CG-OD2 3.39Å; K420-D424 VanDerWaalsContact NZ-CG 3.29Å; K420-D424 IonicContact NZ-OD1 3.58Å; K420-D424 PolarHBondContact NZ-OD1 3.04Å; K420-D424 IonicContact NZ-OD2 3.11Å; K420-D424 PolarHBondContact NZ-OD2 2.8Å; K420-D424 WeakPolarHBondContact O-CB 3.5Å; K420-D424 PolarHBondContact O-N 2.75Å; L421-D424 PolarHBondContact O-N 3.23Å; Y422-D424 PolarHBondContact O-N 2.79Å
425H92.1Very high91.6Very high52 Ų5247.7 Ų47.724%0.24123%0.231CC..Hα-helixtrans-123.13.9-174.5-65.1-66.3000114.9L421 Y422 V423 E427 S429 V532L421-H425 PolarHBondContact O-CD2 3.15Å; L421-H425 PolarHBondContact O-N 3.14Å; Y422-H425 PolarHBondContact O-N 2.61Å; V423-H425 PolarHBondContact O-N 3.2Å; H425-E427 PolarHBondContact O-N 3.1Å; H425-S429 WeakPolarHBondContact O-CB 3.44Å; H425-S429 PolarHBondContact O-N 3.41Å; H425-S429 PolarHBondContact O-OG 3.39Å; H425-V532 HydrophobicContact CB-CB 4.06Å; H425-V532 HydrophobicContact CB-CG1 4.14Å; H425-V532 HydrophobicContact CB-CG2 4.01Å
426A90.6Very high91.6Very high2 Ų245.6 Ų45.62%0.01722%0.223CC..Hα-helixtrans-60.9-47.5-176.800000111.8F406 P409 Y422 S429 F430F406-A426 HydrophobicContact CD1-CB 3.68Å; F406-A426 HydrophobicContact CE1-CB 3.81Å; P409-A426 HydrophobicContact CB-CB 4.03Å; Y422-A426 HydrophobicContact CD1-CB 4.43Å; Y422-A426 HydrophobicContact CE1-CB 4.27Å; Y422-A426 WeakPolarHBondContact O-CA 3.47Å; Y422-A426 WeakPolarHBondContact O-CB 3.12Å; Y422-A426 PolarHBondContact O-N 3.23Å; A426-S429 PolarHBondContact O-OG 2.83Å; A426-S429 VanDerWaalsContact O-OG 3.05Å; A426-F430 VanDerWaalsContact O-CB 3.32Å; A426-F430 WeakPolarHBondContact O-CB 3.41Å; A426-F430 PolarHBondContact O-N 3.23Å
427E88Confident91.6Very high75 Ų7539.6 Ų39.635%0.3520%0.195SC..Hα-helixtrans-63.7-51.6179.4-175.6173-152.700111.3S403 F406 H425 S429 F430 E431S403-E427 WeakPolarHBondContact CA-OE1 3.36Å; S403-E427 WeakPolarHBondContact CB-OE1 3.42Å; S403-E427 PolarHBondContact OG-OE1 3.26Å; F406-E427 HydrophobicContact CB-CB 4.08Å; F406-E427 HydrophobicContact CD2-CB 4.34Å; F406-E427 HydrophobicContact CD2-CG 4.47Å; F406-E427 HydrophobicContact CG-CB 4.18Å; H425-E427 PolarHBondContact O-N 3.1Å; E427-S429 PolarHBondContact O-N 3.03Å; E427-F430 PolarHBondContact O-N 2.91Å; E427-E431 WeakPolarHBondContact O-CG 3.47Å; E427-E431 PolarHBondContact O-N 3.49Å
428S89.5Confident91.3Very high38 Ų3833.6 Ų33.627%0.26617%0.167SC..Hα-helixtrans-65-36.3-179.2-540000113.5F430 L432S428-F430 VanDerWaalsContact C-N 3.32Å; S428-L432 WeakPolarHBondContact O-CB 3.41Å; S428-L432 PolarHBondContact O-N 3.36Å; S428-L432 VanDerWaalsContact O-N 3.11Å
429S92.7Very high91.1Very high1 Ų133 Ų331%0.00716%0.164CC..Hα-helixtrans-69.4-34176.769.20000111.4H425 A426 E427 Q433 V529H425-S429 WeakPolarHBondContact O-CB 3.44Å; H425-S429 PolarHBondContact O-N 3.41Å; H425-S429 PolarHBondContact O-OG 3.39Å; A426-S429 PolarHBondContact O-OG 2.83Å; A426-S429 VanDerWaalsContact O-OG 3.05Å; E427-S429 PolarHBondContact O-N 3.03Å; S429-Q433 WeakPolarHBondContact O-CB 3.41Å; S429-Q433 PolarHBondContact O-N 3.3Å; S429-V529 WeakPolarHBondContact CB-O 3.46Å
430F90.2Very high91.1Very high50 Ų5030.2 Ų30.222%0.21915%0.151CC..Hα-helixtrans-74-40.5175.4-159.3-87.3000112.8V377 L402 F406 A426 E427 S428 L432 Q433 V434V377-F430 HydrophobicContact CB-CE1 4.05Å; V377-F430 HydrophobicContact CG1-CE1 4.23Å; V377-F430 HydrophobicContact CG2-CE1 3.86Å; V377-F430 HydrophobicContact CG2-CZ 3.97Å; L402-F430 HydrophobicContact CD2-CD1 3.23Å; L402-F430 HydrophobicContact CD2-CE1 3.21Å; L402-F430 HydrophobicContact CD2-CG 4.48Å; L402-F430 HydrophobicContact CD2-CZ 4.46Å; F406-F430 HydrophobicContact CE1-CB 4.41Å; F406-F430 HydrophobicContact CE2-CB 3.53Å; F406-F430 AromaticContact CE2-CD1 3.73Å; F406-F430 HydrophobicContact CE2-CD1 3.73Å; F406-F430 HydrophobicContact CE2-CD2 4.04Å; F406-F430 HydrophobicContact CE2-CE1 4.4Å; F406-F430 AromaticContact CE2-CG 3.48Å; F406-F430 HydrophobicContact CE2-CG 3.48Å; F406-F430 VanDerWaalsContact CE2-CG 3.48Å; F406-F430 HydrophobicContact CZ-CB 3.42Å; F406-F430 VanDerWaalsContact CZ-CB 3.42Å; F406-F430 HydrophobicContact CZ-CD1 4.08Å; F406-F430 AromaticContact CZ-CD2 3.51Å; F406-F430 HydrophobicContact CZ-CD2 3.51Å; F406-F430 HydrophobicContact CZ-CE2 4.23Å; F406-F430 AromaticContact CZ-CG 3.39Å; F406-F430 HydrophobicContact CZ-CG 3.39Å; A426-F430 VanDerWaalsContact O-CB 3.32Å; A426-F430 WeakPolarHBondContact O-CB 3.41Å; A426-F430 PolarHBondContact O-N 3.23Å; E427-F430 PolarHBondContact O-N 2.91Å; S428-F430 VanDerWaalsContact C-N 3.32Å; F430-L432 VanDerWaalsContact C-N 3.28Å; F430-L432 PolarHBondContact O-N 3.18Å; F430-Q433 PolarHBondContact O-N 3.32Å; F430-V434 HydrophobicContact CD1-CG2 3.54Å; F430-V434 HydrophobicContact CE1-CG2 3.32Å; F430-V434 HydrophobicContact CZ-CG2 4.14Å; F430-V434 WeakPolarHBondContact O-CB 3.45Å; F430-V434 WeakPolarHBondContact O-CG2 3.46Å; F430-V434 PolarHBondContact O-N 3.32Å
431E88.2Confident91.2Very high26 Ų2623.5 Ų23.512%0.12112%0.122CC..Hα-helixtrans-55.3-46171.3-76.4-175.2175.100111.3M328 K331 L402 E427 G435M328-E431 VanDerWaalsContact CE-CD 3.48Å; M328-E431 HydrophobicContact CE-CG 4.37Å; M328-E431 WeakPolarHBondContact CE-OE1 3.46Å; M328-E431 WeakPolarHBondContact CE-OE2 3.28Å; K331-E431 IonicContact NZ-OE2 3.64Å; L402-E431 HydrophobicContact CD1-CG 4.47Å; E427-E431 WeakPolarHBondContact O-CG 3.47Å; E427-E431 PolarHBondContact O-N 3.49Å; E431-G435 PolarHBondContact O-N 2.8Å
432L91.9Very high90.9Very high0 Ų023 Ų230%012%0.119CC..Hα-helixtrans-59.9-49175.4173.962.8000111.5S428 F430 G435 L436 C506 V511 L512 F515 L517S428-L432 WeakPolarHBondContact O-CB 3.41Å; S428-L432 PolarHBondContact O-N 3.36Å; S428-L432 VanDerWaalsContact O-N 3.11Å; F430-L432 VanDerWaalsContact C-N 3.28Å; F430-L432 PolarHBondContact O-N 3.18Å; L432-G435 PolarHBondContact O-N 2.82Å; L432-L436 HydrophobicContact CD1-CD1 3.87Å; L432-L436 HydrophobicContact CD1-CG 4.34Å; L432-L436 HydrophobicContact CG-CD1 4.22Å; L432-L436 WeakPolarHBondContact O-CG 3.28Å; L432-L436 PolarHBondContact O-N 3.34Å; L432-L436 VanDerWaalsContact O-N 3.12Å; L432-C506 HydrophobicContact CD2-CB 3.83Å; L432-C506 HydrophobicContact CG-CB 4.23Å; L432-V511 HydrophobicContact CD1-CG1 3.43Å; L432-V511 VanDerWaalsContact CD1-CG1 3.43Å; L432-L512 HydrophobicContact CD2-CD2 4.34Å; L432-F515 HydrophobicContact CD1-CD2 3.65Å; L432-F515 HydrophobicContact CD1-CE2 3.8Å; L432-F515 HydrophobicContact CD1-CG 4.17Å; L432-F515 HydrophobicContact CD1-CZ 4.43Å; L432-L517 HydrophobicContact CB-CD1 4.24Å; L432-L517 HydrophobicContact CD2-CD1 4.08Å
433Q94.4Very high90.5Very high9 Ų922.6 Ų22.64%0.04212%0.118CC..Hα-helixtrans-61.5-49.4179.8-176.862.712.800111.9S429 F430 G435 L436 H437 E499 G502 N533S429-Q433 WeakPolarHBondContact O-CB 3.41Å; S429-Q433 PolarHBondContact O-N 3.3Å; F430-Q433 PolarHBondContact O-N 3.32Å; Q433-G435 PolarHBondContact O-N 3.37Å; Q433-L436 PolarHBondContact O-N 3.17Å; Q433-H437 WeakPolarHBondContact O-CB 3.34Å; Q433-H437 PolarHBondContact O-N 3.48Å; Q433-E499 PolarHBondContact NE2-O 2.93Å; Q433-E499 PolarHBondContact NE2-OE2 2.9Å; Q433-G502 VanDerWaalsContact OE1-CA 3.27Å; Q433-N533 PolarHBondContact OE1-ND2 2.82Å; Q433-N533 PolarHBondContact OE1-OD1 3.38Å
434V89.3Confident90.6Very high9 Ų919.2 Ų19.26%0.05510%0.097CC..Hα-helixtrans-61.6-44.4179.4171.10000110.8F430 L436 H437 E438F430-V434 HydrophobicContact CD1-CG2 3.54Å; F430-V434 HydrophobicContact CE1-CG2 3.32Å; F430-V434 HydrophobicContact CZ-CG2 4.14Å; F430-V434 WeakPolarHBondContact O-CB 3.45Å; F430-V434 WeakPolarHBondContact O-CG2 3.46Å; F430-V434 PolarHBondContact O-N 3.32Å; V434-L436 VanDerWaalsContact C-N 3.33Å; V434-L436 PolarHBondContact O-N 3.12Å; V434-H437 PolarHBondContact O-N 2.7Å; V434-E438 HydrophobicContact CG1-CG 4.06Å; V434-E438 WeakPolarHBondContact O-CG 3.26Å; V434-E438 PolarHBondContact O-N 3.32Å
435G89.2Confident90.6Very high0 Ų015.2 Ų15.20%08%0.077CC..Hα-helixtrans-54.3-47.9176.400000113.1F362 E431 L432 Q433 L439F362-G435 WeakPolarHBondContact CE1-O 3.3Å; E431-G435 PolarHBondContact O-N 2.8Å; L432-G435 PolarHBondContact O-N 2.82Å; Q433-G435 PolarHBondContact O-N 3.37Å; G435-L439 VanDerWaalsContact O-CB 3.29Å; G435-L439 WeakPolarHBondContact O-CB 3.49Å; G435-L439 PolarHBondContact O-N 2.86Å
436L94.3Very high90.7Very high0 Ų013.4 Ų13.40%07%0.068CC..Hα-helixtrans-73.6-41.1179.2-64.3170.3000112.5L335 L432 Q433 V434 L440 G441 G502 L505 C506 V511L335-L436 HydrophobicContact CD1-CD2 4.35Å; L335-L436 HydrophobicContact CD2-CD2 4.48Å; L432-L436 HydrophobicContact CD1-CD1 3.87Å; L432-L436 HydrophobicContact CD1-CG 4.34Å; L432-L436 HydrophobicContact CG-CD1 4.22Å; L432-L436 WeakPolarHBondContact O-CG 3.28Å; L432-L436 PolarHBondContact O-N 3.34Å; L432-L436 VanDerWaalsContact O-N 3.12Å; Q433-L436 PolarHBondContact O-N 3.17Å; V434-L436 VanDerWaalsContact C-N 3.33Å; V434-L436 PolarHBondContact O-N 3.12Å; L436-L440 HydrophobicContact CD2-CD1 3.88Å; L436-L440 CarbonylContact O-C 3.58Å; L436-L440 WeakPolarHBondContact O-CA 3.35Å; L436-L440 WeakPolarHBondContact O-CB 3.48Å; L436-L440 PolarHBondContact O-N 3.34Å; L436-G441 PolarHBondContact O-N 3.13Å; L436-G502 VanDerWaalsContact CD1-O 3.32Å; L436-G502 WeakPolarHBondContact CD1-O 3.49Å; L436-L505 HydrophobicContact CD1-CB 4.3Å; L436-L505 HydrophobicContact CD2-CB 4.31Å; L436-C506 HydrophobicContact CD1-CB 4.01Å; L436-V511 HydrophobicContact CD1-CG1 4.06Å; L436-V511 HydrophobicContact CD2-CG1 3.9Å; L436-V511 HydrophobicContact CD2-CG2 4.11Å; L436-V511 HydrophobicContact CG-CG1 4.35Å
437H93.2Very high90.9Very high12 Ų1214.8 Ų14.86%0.0568%0.075CC..Iπ-helixtrans-59.8-50.5-179.3176.4108.6000111.5Q433 V434 G441 H442 E495 A498 E499Q433-H437 WeakPolarHBondContact O-CB 3.34Å; Q433-H437 PolarHBondContact O-N 3.48Å; V434-H437 PolarHBondContact O-N 2.7Å; H437-G441 CarbonylContact O-C 3.52Å; H437-G441 WeakPolarHBondContact O-CA 3.1Å; H437-G441 PolarHBondContact O-N 3.36Å; H437-H442 AromaticContact CD2-CD2 3.82Å; H437-H442 AromaticContact CD2-NE2 3.74Å; H437-H442 AromaticContact CE1-NE2 3.98Å; H437-H442 AromaticContact NE2-CD2 3.71Å; H437-H442 AromaticContact NE2-NE2 3.13Å; H437-H442 PolarHBondContact NE2-NE2 3.36Å; H437-H442 VanDerWaalsContact NE2-NE2 3.13Å; H437-H442 PolarHBondContact O-N 3.05Å; H437-E495 IonicContact CE1-OE2 2.85Å; H437-E495 PolarHBondContact CE1-OE2 3.38Å; H437-E495 IonicContact NE2-OE2 3.25Å; H437-E495 PolarHBondContact NE2-OE2 2.95Å; H437-A498 VanDerWaalsContact CE1-CB 3.45Å; H437-A498 WeakPolarHBondContact CE1-CB 3.48Å; H437-E499 PolarHBondContact ND1-N 3.48Å; H437-E499 IonicContact ND1-OE2 2.7Å
438E87.6Confident91.3Very high16 Ų1611.2 Ų11.28%0.0756%0.058CC..Iπ-helixtrans-72.6-47.6-176.9-61.5-61.4168.800111.8F362 N380 N395 V434 H442F362-E438 HydrophobicContact CZ-CB 4.09Å; N380-E438 WeakPolarHBondContact CB-OE2 3.32Å; N395-E438 HydrophobicContact CB-CB 4.18Å; N395-E438 PolarHBondContact OD1-O 3.41Å; V434-E438 HydrophobicContact CG1-CG 4.06Å; V434-E438 WeakPolarHBondContact O-CG 3.26Å; V434-E438 PolarHBondContact O-N 3.32Å; E438-H442 IonicContact OE2-CD2 3.59Å
439L89.3Confident91.5Very high0 Ų011.5 Ų11.50%06%0.056CC..Iπ-helixtrans-78.6-52.7-173.7-178.665.9000113.1L335 V336 A339 F357 P360 F362 G435 G443L335-L439 HydrophobicContact CB-CD2 4.06Å; L335-L439 HydrophobicContact CD2-CB 4.44Å; L335-L439 HydrophobicContact CD2-CD2 3.64Å; L335-L439 HydrophobicContact CG-CD2 3.61Å; V336-L439 HydrophobicContact CG2-CD1 3.88Å; V336-L439 HydrophobicContact CG2-CD2 3.92Å; A339-L439 HydrophobicContact CB-CD2 4.43Å; F357-L439 HydrophobicContact CZ-CD1 4.09Å; P360-L439 HydrophobicContact CG-CD1 3.31Å; F362-L439 HydrophobicContact CD1-CB 3.84Å; F362-L439 HydrophobicContact CD1-CD1 4.31Å; F362-L439 HydrophobicContact CD1-CD2 4.16Å; F362-L439 HydrophobicContact CD1-CG 4.32Å; F362-L439 HydrophobicContact CE1-CB 3.72Å; G435-L439 VanDerWaalsContact O-CB 3.29Å; G435-L439 WeakPolarHBondContact O-CB 3.49Å; G435-L439 PolarHBondContact O-N 2.86Å; L439-G443 VanDerWaalsContact O-CA 3.23Å; L439-G443 WeakPolarHBondContact O-CA 3.26Å; L439-G443 PolarHBondContact O-N 3Å
440L92.8Very high91.6Very high0 Ų015 Ų150%07%0.069CC..Iπ-helixtrans-102.9-20.3-171.4-57-179.2000112.2A339 L342 L343 L436 S444 V501 L505A339-L440 HydrophobicContact CB-CD2 3.92Å; L342-L440 HydrophobicContact CB-CD1 3.63Å; L342-L440 HydrophobicContact CD1-CD1 3.89Å; L342-L440 HydrophobicContact CG-CD1 4.38Å; L343-L440 HydrophobicContact CD2-CD2 4.02Å; L343-L440 HydrophobicContact CG-CD2 4.12Å; L436-L440 HydrophobicContact CD2-CD1 3.88Å; L436-L440 CarbonylContact O-C 3.58Å; L436-L440 WeakPolarHBondContact O-CA 3.35Å; L436-L440 WeakPolarHBondContact O-CB 3.48Å; L436-L440 PolarHBondContact O-N 3.34Å; L440-S444 WeakPolarHBondContact O-CB 3.03Å; L440-S444 PolarHBondContact O-OG 2.98Å; L440-V501 HydrophobicContact CB-CG1 3.97Å; L440-L505 HydrophobicContact CB-CD1 4.18Å; L440-L505 HydrophobicContact CD1-CD1 3.7Å
441G93.7Very high91.4Very high0 Ų015.2 Ų15.20%08%0.076CC..Iπ-helixtrans-71.1-86.9167.100000109L436 H437 G443 S444 R497L436-G441 PolarHBondContact O-N 3.13Å; H437-G441 CarbonylContact O-C 3.52Å; H437-G441 WeakPolarHBondContact O-CA 3.1Å; H437-G441 PolarHBondContact O-N 3.36Å; G441-G443 VanDerWaalsContact C-N 3.26Å; G441-G443 PolarHBondContact O-N 3.23Å; G441-S444 PolarHBondContact O-N 3.31Å; G441-S444 VanDerWaalsContact O-N 3.17Å; G441-S444 PolarHBondContact O-OG 3.22Å; G441-R497 PolarHBondContact O-NH1 3Å; G441-R497 PolarHBondContact O-NH2 3.27Å
442H87.8Confident91.2Very high24 Ų2417.5 Ų17.511%0.11111%0.107CC..Iπ-helixtrans-59.2-32.5-177.4-68.2-48.9000114.4N380 H437 E438 S444 E494 E495N380-H442 VanDerWaalsContact ND2-CB 3.29Å; N380-H442 WeakPolarHBondContact ND2-CB 3.32Å; H437-H442 AromaticContact CD2-CD2 3.82Å; H437-H442 AromaticContact CD2-NE2 3.74Å; H437-H442 AromaticContact CE1-NE2 3.98Å; H437-H442 AromaticContact NE2-CD2 3.71Å; H437-H442 AromaticContact NE2-NE2 3.13Å; H437-H442 PolarHBondContact NE2-NE2 3.36Å; H437-H442 VanDerWaalsContact NE2-NE2 3.13Å; H437-H442 PolarHBondContact O-N 3.05Å; E438-H442 IonicContact OE2-CD2 3.59Å; H442-S444 VanDerWaalsContact C-N 3.3Å; H442-S444 PolarHBondContact O-N 3.12Å; H442-E494 IonicContact CE1-OE1 3.84Å; H442-E494 IonicContact CG-OE1 2.81Å; H442-E494 IonicContact ND1-OE1 2.78Å; H442-E494 PolarHBondContact ND1-OE1 2.83Å; H442-E495 IonicContact NE2-OE2 3.27Å
443G85.5Confident91.1Very high1 Ų123 Ų231%0.0114%0.136CC..THydrogen-bonded Turntrans-71.7-15.5179.200000115.6K354 L439 G441K354-G443 PolarHBondContact NZ-O 2.94Å; L439-G443 VanDerWaalsContact O-CA 3.23Å; L439-G443 WeakPolarHBondContact O-CA 3.26Å; L439-G443 PolarHBondContact O-N 3Å; G441-G443 VanDerWaalsContact C-N 3.26Å; G441-G443 PolarHBondContact O-N 3.23Å
444S91Very high91Very high1 Ų124.7 Ų24.71%0.00716%0.157CC..  trans-97.3166.9-177.582.40000114.5L343 W348 L440 G441 H442 R497L343-S444 VanDerWaalsContact CD2-CB 3.49Å; W348-S444 WeakPolarHBondContact CH2-OG 3.09Å; W348-S444 WeakPolarHBondContact CZ2-OG 3.47Å; L440-S444 WeakPolarHBondContact O-CB 3.03Å; L440-S444 PolarHBondContact O-OG 2.98Å; G441-S444 PolarHBondContact O-N 3.31Å; G441-S444 VanDerWaalsContact O-N 3.17Å; G441-S444 PolarHBondContact O-OG 3.22Å; H442-S444 VanDerWaalsContact C-N 3.3Å; H442-S444 PolarHBondContact O-N 3.12Å; S444-R497 PolarHBondContact OG-NH1 2.99Å
445G92.2Very high91.2Very high4 Ų429.2 Ų29.24%0.04118%0.179CC..  trans84.6138.5171.600000113.6E353 K354E353-G445 PolarHBondContact OE1-N 2.81Å; E353-G445 PolarHBondContact OE2-N 2.82Å; E353-G445 VanDerWaalsContact OE2-N 3.13Å; K354-G445 VanDerWaalsContact CE-O 3.26Å; K354-G445 WeakPolarHBondContact CE-O 3.3Å
446K93.2Very high91.4Very high14 Ų1431.4 Ų31.46%0.06119%0.191CC..PPolyproline II helixtrans-102.4138.8-178.8-176.6170.2179.9175.20111.5Y352 E353 D355 F448 N457 S626Y352-K446 WeakPolarHBondContact O-CB 3.22Å; Y352-K446 PolarHBondContact O-N 2.86Å; E353-K446 WeakPolarHBondContact O-CB 3.46Å; E353-K446 WeakPolarHBondContact O-CD 3.47Å; D355-K446 IonicContact OD1-NZ 3.78Å; D355-K446 PolarHBondContact OD1-NZ 2.98Å; D355-K446 IonicContact OD2-NZ 2.87Å; D355-K446 PolarHBondContact OD2-NZ 3.35Å; K446-F448 HydrophobicContact CG-CD1 4.43Å; K446-N457 WeakPolarHBondContact CE-O 3.37Å; K446-N457 PolarHBondContact NZ-O 3.18Å; K446-S626 WeakPolarHBondContact O-CA 3.48Å; K446-S626 WeakPolarHBondContact O-CB 3.48Å; K446-S626 PolarHBondContact O-OG 2.75Å
447L94.8Very high91.4Very high30 Ų3034.1 Ų34.116%0.15721%0.205CC..PPolyproline II helixtrans-88.8131.5164.7-56.7-176000108.8Q449 N457 Y476 K625L447-Q449 HydrophobicContact CB-CG 3.94Å; L447-N457 PolarHBondContact O-ND2 3.35Å; L447-N457 PolarHBondContact O-OD1 2.98Å; L447-Y476 HydrophobicContact CB-CD2 4Å; L447-Y476 HydrophobicContact CB-CE2 3.96Å; L447-Y476 HydrophobicContact CD1-CE2 4.24Å; L447-Y476 HydrophobicContact CD2-CE2 3.81Å; L447-Y476 HydrophobicContact CG-CE2 4.21Å; L447-K625 HydrophobicContact CD2-CD 4.36Å; L447-K625 HydrophobicContact CD2-CG 3.63Å
448F96.2Very high91.5Very high0 Ų034.2 Ų34.20%021%0.206CC..PPolyproline II helixtrans-81.6119.2171.6-60.6-26.2000108.5T351 Y352 K446 N457 F458 T463 I472 W475 Y476 S626 T627T351-F448 WeakPolarHBondContact O-CE1 3.43Å; Y352-F448 HydrophobicContact CD1-CE2 4.18Å; Y352-F448 AromaticContact CD1-CZ 3.84Å; Y352-F448 HydrophobicContact CD1-CZ 3.84Å; Y352-F448 AromaticContact CD2-CZ 3.97Å; Y352-F448 HydrophobicContact CD2-CZ 3.97Å; Y352-F448 AromaticContact CE1-CE2 3.64Å; Y352-F448 HydrophobicContact CE1-CE2 3.64Å; Y352-F448 AromaticContact CE1-CZ 3.75Å; Y352-F448 HydrophobicContact CE1-CZ 3.75Å; Y352-F448 HydrophobicContact CE2-CE2 4.18Å; Y352-F448 AromaticContact CE2-CZ 3.89Å; Y352-F448 HydrophobicContact CE2-CZ 3.89Å; Y352-F448 AromaticContact CG-CZ 3.94Å; Y352-F448 HydrophobicContact CG-CZ 3.94Å; Y352-F448 AromaticContact CZ-CE2 3.64Å; Y352-F448 AromaticContact CZ-CZ 3.78Å; K446-F448 HydrophobicContact CG-CD1 4.43Å; F448-N457 WeakPolarHBondContact CA-OD1 3.5Å; F448-F458 HydrophobicContact CB-CD1 3.6Å; F448-F458 HydrophobicContact CB-CE1 3.61Å; F448-F458 HydrophobicContact CB-CG 4.31Å; F448-F458 HydrophobicContact CB-CZ 4.33Å; F448-F458 HydrophobicContact CD1-CB 3.88Å; F448-F458 AromaticContact CD1-CD1 3.94Å; F448-F458 HydrophobicContact CD1-CD1 3.94Å; F448-F458 HydrophobicContact CD1-CD2 4.41Å; F448-F458 AromaticContact CD1-CG 3.81Å; F448-F458 HydrophobicContact CD1-CG 3.81Å; F448-F458 HydrophobicContact CE1-CB 4.2Å; F448-F458 HydrophobicContact CE1-CG 4.34Å; F448-F458 AromaticContact CG-CD1 3.84Å; F448-F458 HydrophobicContact CG-CD1 3.84Å; F448-F458 HydrophobicContact CG-CD2 4.45Å; F448-F458 HydrophobicContact CG-CE1 4.09Å; F448-F458 HydrophobicContact CG-CG 4.04Å; F448-F458 HydrophobicContact CG-CZ 4.5Å; F448-T463 HydrophobicContact CE1-CG2 4.29Å; F448-T463 HydrophobicContact CE2-CG2 3.99Å; F448-T463 HydrophobicContact CZ-CG2 3.59Å; F448-I472 HydrophobicContact CD2-CG1 4.44Å; F448-I472 HydrophobicContact CD2-CG2 3.98Å; F448-I472 HydrophobicContact CE2-CD1 3.97Å; F448-I472 HydrophobicContact CE2-CG1 4.11Å; F448-I472 HydrophobicContact CE2-CG2 4.42Å; F448-W475 HydrophobicContact CB-CB 3.95Å; F448-W475 CarbonylContact O-C 3.57Å; F448-W475 WeakPolarHBondContact O-CA 3.38Å; F448-W475 WeakPolarHBondContact O-CB 3.34Å; F448-Y476 WeakPolarHBondContact O-CD2 3.49Å; F448-Y476 PolarHBondContact O-N 3.18Å; F448-S626 VanDerWaalsContact CB-O 3.25Å; F448-S626 WeakPolarHBondContact CB-O 3.47Å; F448-S626 WeakPolarHBondContact CG-O 3.45Å; F448-S626 PolarHBondContact N-O 3Å; F448-T627 HydrophobicContact CD2-CG2 3.97Å; F448-T627 HydrophobicContact CE2-CG2 3.96Å
449Q93.8Very high91.8Very high44 Ų4437.1 Ų37.121%0.20622%0.221CC..BIsolated β-bridgetrans-134.9148.4-171.4-50.4-175.3-62.800111.1L447 L456 N457 Y476L447-Q449 HydrophobicContact CB-CG 3.94Å; Q449-L456 WeakPolarHBondContact O-CA 3.49Å; Q449-N457 PolarHBondContact N-OD1 3.46Å; Q449-N457 PolarHBondContact O-N 3.33Å; Q449-N457 PolarHBondContact O-OD1 3.06Å; Q449-Y476 WeakPolarHBondContact CA-O 3.44Å; Q449-Y476 HydrophobicContact CG-CD2 4.31Å; Q449-Y476 HydrophobicContact CG-CG 4.49Å
450R94.2Very high92Very high76 Ų7640.9 Ų40.929%0.28724%0.244SC..BIsolated β-bridgetrans-101.9127.4165-173-177.2-74.3148.9-5109.6I455 L456 Y476 E477 P478R450-I455 WeakPolarHBondContact CA-O 3.26Å; R450-L456 HydrophobicContact CB-CD2 3.82Å; R450-L456 HydrophobicContact CG-CD2 4.25Å; R450-Y476 PolarHBondContact N-O 2.82Å; R450-E477 WeakPolarHBondContact CD-OE2 3.48Å; R450-E477 IonicContact CZ-OE1 3.2Å; R450-E477 IonicContact CZ-OE2 2.79Å; R450-E477 IonicContact NE-OE2 3.81Å; R450-E477 IonicContact NH1-OE1 3.53Å; R450-E477 PolarHBondContact NH1-OE1 3.06Å; R450-E477 IonicContact NH1-OE2 2.74Å; R450-E477 PolarHBondContact NH1-OE2 3.38Å; R450-P478 WeakPolarHBondContact O-CD 3.37Å; R450-P478 WeakPolarHBondContact O-CG 3.33Å
451S87.6Confident91.9Very high53 Ų5345.5 Ų45.537%0.37128%0.277SS..  trans-75.9164.7172.644.40000112D453 G454 I455S451-D453 VanDerWaalsContact CB-OD1 3.25Å; S451-D453 WeakPolarHBondContact CB-OD1 3.46Å; S451-D453 PolarHBondContact O-N 2.88Å; S451-D453 VanDerWaalsContact O-N 3.08Å; S451-D453 PolarHBondContact OG-OD1 2.81Å; S451-G454 PolarHBondContact O-N 2.49Å; S451-I455 PolarHBondContact N-O 3.25Å; S451-I455 PolarHBondContact OG-N 3.28Å; S451-I455 PolarHBondContact OG-O 3.24Å
452G84.1Confident91.9Very high75 Ų7548.5 Ų48.577%0.77330%0.298SS*.THydrogen-bonded Turntrans-61.1-17.7-178.300000115.2
453D89.5Confident92.2Very high115 Ų11547.6 Ų47.662%0.61529%0.294SS*.THydrogen-bonded Turntrans-89.6017462.4-1.4000113.6S451 I455S451-D453 VanDerWaalsContact CB-OD1 3.25Å; S451-D453 WeakPolarHBondContact CB-OD1 3.46Å; S451-D453 PolarHBondContact O-N 2.88Å; S451-D453 VanDerWaalsContact O-N 3.08Å; S451-D453 PolarHBondContact OG-OD1 2.81Å; D453-I455 PolarHBondContact OD1-N 3.25Å; D453-I455 WeakPolarHBondContact OD2-CD1 3.41Å
454G90.8Very high92.7Very high45 Ų4554 Ų5446%0.46432%0.322SS..SBendtrans92.50.4176.100000115.6S451S451-G454 PolarHBondContact O-N 2.49Å
455I93.5Very high93Very high104 Ų10454.9 Ų54.953%0.53333%0.326SS..  trans-79.4136.9-178.7-57.9177.3000110.5R450 S451 D453R450-I455 WeakPolarHBondContact CA-O 3.26Å; S451-I455 PolarHBondContact N-O 3.25Å; S451-I455 PolarHBondContact OG-N 3.28Å; S451-I455 PolarHBondContact OG-O 3.24Å; D453-I455 PolarHBondContact OD1-N 3.25Å; D453-I455 WeakPolarHBondContact OD2-CD1 3.41Å
456L95.1Very high93.1Very high45 Ų4555.9 Ų55.924%0.23633%0.331CS..BIsolated β-bridgetrans-88138.5172.1-66.3174.5000110.1Q449 R450 F458 T460 W475Q449-L456 WeakPolarHBondContact O-CA 3.49Å; R450-L456 HydrophobicContact CB-CD2 3.82Å; R450-L456 HydrophobicContact CG-CD2 4.25Å; L456-F458 HydrophobicContact CB-CD1 4.17Å; L456-F458 HydrophobicContact CB-CE1 4.09Å; L456-F458 HydrophobicContact CD1-CE1 4.08Å; L456-F458 HydrophobicContact CD1-CZ 4.1Å; L456-F458 HydrophobicContact CD2-CE1 3.97Å; L456-F458 HydrophobicContact CG-CE1 4.27Å; L456-F458 PolarHBondContact O-N 3.05Å; L456-T460 HydrophobicContact CD1-CG2 3.52Å; L456-W475 HydrophobicContact CD2-CD2 3.97Å; L456-W475 HydrophobicContact CD2-CG 4.03Å
457N93.7Very high93Very high57 Ų5759.4 Ų59.431%0.30535%0.349SS..SBendtrans-80.69.2178.175.3-11000113.7K446 L447 F448 Q449K446-N457 WeakPolarHBondContact CE-O 3.37Å; K446-N457 PolarHBondContact NZ-O 3.18Å; L447-N457 PolarHBondContact O-ND2 3.35Å; L447-N457 PolarHBondContact O-OD1 2.98Å; F448-N457 WeakPolarHBondContact CA-OD1 3.5Å; Q449-N457 PolarHBondContact N-OD1 3.46Å; Q449-N457 PolarHBondContact O-N 3.33Å; Q449-N457 PolarHBondContact O-OD1 3.06Å
458F94.7Very high92.9Very high15 Ų1561.6 Ų61.67%0.06637%0.367CS..SBendtrans-140.9154.9-179.671.8-80.3000110.9F448 L456 T460 T463 I472 W475F448-F458 HydrophobicContact CB-CD1 3.6Å; F448-F458 HydrophobicContact CB-CE1 3.61Å; F448-F458 HydrophobicContact CB-CG 4.31Å; F448-F458 HydrophobicContact CB-CZ 4.33Å; F448-F458 HydrophobicContact CD1-CB 3.88Å; F448-F458 AromaticContact CD1-CD1 3.94Å; F448-F458 HydrophobicContact CD1-CD1 3.94Å; F448-F458 HydrophobicContact CD1-CD2 4.41Å; F448-F458 AromaticContact CD1-CG 3.81Å; F448-F458 HydrophobicContact CD1-CG 3.81Å; F448-F458 HydrophobicContact CE1-CB 4.2Å; F448-F458 HydrophobicContact CE1-CG 4.34Å; F448-F458 AromaticContact CG-CD1 3.84Å; F448-F458 HydrophobicContact CG-CD1 3.84Å; F448-F458 HydrophobicContact CG-CD2 4.45Å; F448-F458 HydrophobicContact CG-CE1 4.09Å; F448-F458 HydrophobicContact CG-CG 4.04Å; F448-F458 HydrophobicContact CG-CZ 4.5Å; L456-F458 HydrophobicContact CB-CD1 4.17Å; L456-F458 HydrophobicContact CB-CE1 4.09Å; L456-F458 HydrophobicContact CD1-CE1 4.08Å; L456-F458 HydrophobicContact CD1-CZ 4.1Å; L456-F458 HydrophobicContact CD2-CE1 3.97Å; L456-F458 HydrophobicContact CG-CE1 4.27Å; L456-F458 PolarHBondContact O-N 3.05Å; F458-T460 HydrophobicContact CE2-CG2 3.84Å; F458-T460 HydrophobicContact CZ-CG2 4.11Å; F458-T460 PolarHBondContact O-N 2.82Å; F458-T463 HydrophobicContact CD2-CG2 4.18Å; F458-I472 HydrophobicContact CE2-CB 3.84Å; F458-I472 HydrophobicContact CE2-CG1 3.98Å; F458-I472 HydrophobicContact CE2-CG2 4.06Å; F458-I472 HydrophobicContact CZ-CB 4.12Å; F458-I472 HydrophobicContact CZ-CG2 3.89Å; F458-W475 HydrophobicContact CE1-CB 4.29Å; F458-W475 HydrophobicContact CE1-CE3 4.3Å; F458-W475 AromaticContact CZ-CE3 3.92Å; F458-W475 HydrophobicContact CZ-CE3 3.92Å
459D94.6Very high92.8Very high76 Ų7663.9 Ų63.941%0.40639%0.391SS..  trans-84113.8178.6173.214000110.7S461 S462 T463D459-S461 VanDerWaalsContact CG-OG 3.25Å; D459-S461 PolarHBondContact O-N 2.81Å; D459-S461 WeakPolarHBondContact OD1-CB 3.37Å; D459-S461 PolarHBondContact OD1-N 2.97Å; D459-S461 PolarHBondContact OD1-OG 3.22Å; D459-S461 PolarHBondContact OD2-OG 3.25Å; D459-S461 VanDerWaalsContact OD2-OG 3.09Å; D459-S462 WeakPolarHBondContact CB-OG 3.47Å; D459-S462 VanDerWaalsContact OD2-CB 3.31Å; D459-S462 WeakPolarHBondContact OD2-CB 3.32Å; D459-S462 PolarHBondContact OD2-N 3.11Å; D459-S462 PolarHBondContact OD2-OG 3.29Å; D459-T463 WeakPolarHBondContact O-CB 3.44Å; D459-T463 PolarHBondContact O-N 3.23Å; D459-T463 PolarHBondContact O-OG1 3.3Å
460T92.8Very high92.8Very high79 Ų7963 Ų6349%0.48539%0.393SS..THydrogen-bonded Turntrans-69.2-15.2-179.755.50000114L456 F458L456-T460 HydrophobicContact CD1-CG2 3.52Å; F458-T460 HydrophobicContact CE2-CG2 3.84Å; F458-T460 HydrophobicContact CZ-CG2 4.11Å; F458-T460 PolarHBondContact O-N 2.82Å
461S91.2Very high92.8Very high97 Ų9763 Ų6368%0.67840%0.403SS*.THydrogen-bonded Turntrans-87.9-38-18073.80000113.1D459D459-S461 VanDerWaalsContact CG-OG 3.25Å; D459-S461 PolarHBondContact O-N 2.81Å; D459-S461 WeakPolarHBondContact OD1-CB 3.37Å; D459-S461 PolarHBondContact OD1-N 2.97Å; D459-S461 PolarHBondContact OD1-OG 3.22Å; D459-S461 PolarHBondContact OD2-OG 3.25Å; D459-S461 VanDerWaalsContact OD2-OG 3.09Å
462S93Very high93.2Very high64 Ų6461 Ų6145%0.44839%0.388SS..THydrogen-bonded Turntrans-93.9-27179.858.70000113.7D459 K464D459-S462 WeakPolarHBondContact CB-OG 3.47Å; D459-S462 VanDerWaalsContact OD2-CB 3.31Å; D459-S462 WeakPolarHBondContact OD2-CB 3.32Å; D459-S462 PolarHBondContact OD2-N 3.11Å; D459-S462 PolarHBondContact OD2-OG 3.29Å; S462-K464 PolarHBondContact O-N 2.74Å
463T95.6Very high93.7Very high5 Ų567.2 Ų67.23%0.03139%0.388CS..  trans-82.7116.4-179.4-50.50000110.8Y352 F448 F458 D459 I472Y352-T463 HydrophobicContact CE2-CG2 4.1Å; F448-T463 HydrophobicContact CE1-CG2 4.29Å; F448-T463 HydrophobicContact CE2-CG2 3.99Å; F448-T463 HydrophobicContact CZ-CG2 3.59Å; F458-T463 HydrophobicContact CD2-CG2 4.18Å; D459-T463 WeakPolarHBondContact O-CB 3.44Å; D459-T463 PolarHBondContact O-N 3.23Å; D459-T463 PolarHBondContact O-OG1 3.3Å; T463-I472 HydrophobicContact CG2-CD1 4.16Å; T463-I472 HydrophobicContact CG2-CG1 3.76Å
464K96.1Very high93.9Very high136 Ų13663.7 Ų63.759%0.59137%0.372SS*.BIsolated β-bridgetrans-104.8145.4178-64.5-176.4-179.8-179.80111.7Y352 S462 I466 G470Y352-K464 WeakPolarHBondContact CE2-O 3.43Å; Y352-K464 PolarHBondContact OH-O 2.83Å; S462-K464 PolarHBondContact O-N 2.74Å; K464-I466 PolarHBondContact O-N 3.44Å; K464-G470 WeakPolarHBondContact CA-O 3.22Å
465D95.6Very high94.2Very high18 Ų1863.8 Ų63.810%0.09636%0.359CS..  trans-61.7121.3168.6179.7-34.3000109.9I467 S468 G469 G470 I472 Y623D465-I467 PolarHBondContact O-N 3.31Å; D465-I467 WeakPolarHBondContact OD1-CA 3.45Å; D465-I467 WeakPolarHBondContact OD1-CB 3.26Å; D465-I467 PolarHBondContact OD1-N 2.67Å; D465-S468 VanDerWaalsContact CB-OG 3.24Å; D465-S468 WeakPolarHBondContact CB-OG 2.98Å; D465-S468 PolarHBondContact OD1-N 2.73Å; D465-S468 PolarHBondContact OD2-OG 3.48Å; D465-G469 WeakPolarHBondContact O-CA 3.45Å; D465-G469 PolarHBondContact O-N 3.45Å; D465-G470 WeakPolarHBondContact CB-O 3.47Å; D465-G470 PolarHBondContact N-O 3.25Å; D465-I472 HydrophobicContact CB-CD1 4.11Å; D465-Y623 HydrophobicContact CB-CE2 4.5Å; D465-Y623 VanDerWaalsContact OD1-CE2 3.26Å; D465-Y623 WeakPolarHBondContact OD1-CE2 3.24Å; D465-Y623 PolarHBondContact OD1-OH 3.19Å; D465-Y623 PolarHBondContact OD2-OH 2.98Å
466I94.7Very high94.2Very high26 Ų2658.9 Ų58.913%0.13333%0.334CS..THydrogen-bonded Turntrans-64.5-24.7-176.6-71.6177.5000112.8W348 P349 Y352 K464 R619 Y623W348-I466 HydrophobicContact CB-CD1 4.46Å; P349-I466 HydrophobicContact CG-CD1 4.38Å; P349-I466 HydrophobicContact CG-CG1 4.34Å; Y352-I466 HydrophobicContact CD1-CD1 3.81Å; Y352-I466 HydrophobicContact CD2-CD1 3.74Å; Y352-I466 HydrophobicContact CD2-CG1 4.2Å; Y352-I466 HydrophobicContact CE1-CD1 3.68Å; Y352-I466 HydrophobicContact CE1-CG1 4.28Å; Y352-I466 HydrophobicContact CE2-CD1 3.59Å; Y352-I466 HydrophobicContact CE2-CG1 3.62Å; Y352-I466 HydrophobicContact CG-CD1 3.86Å; K464-I466 PolarHBondContact O-N 3.44Å; I466-R619 HydrophobicContact CG2-CG 3.9Å; I466-R619 PolarHBondContact O-NH1 2.91Å; I466-Y623 HydrophobicContact CB-CD2 3.69Å; I466-Y623 HydrophobicContact CB-CE2 4.42Å; I466-Y623 HydrophobicContact CB-CG 4.19Å; I466-Y623 HydrophobicContact CD1-CD2 4.43Å; I466-Y623 HydrophobicContact CG1-CD2 4.27Å
467I91.8Very high94.1Very high87 Ų8760 Ų6045%0.44634%0.337SS..THydrogen-bonded Turntrans-96.4-50.4-178.1-56.3-60.7000110.8D465 K620 Y623D465-I467 PolarHBondContact O-N 3.31Å; D465-I467 WeakPolarHBondContact OD1-CA 3.45Å; D465-I467 WeakPolarHBondContact OD1-CB 3.26Å; D465-I467 PolarHBondContact OD1-N 2.67Å; I467-K620 HydrophobicContact CD1-CG 4.33Å; I467-Y623 HydrophobicContact CB-CE1 4.35Å; I467-Y623 HydrophobicContact CD1-CD1 4.37Å; I467-Y623 HydrophobicContact CG1-CD1 3.63Å; I467-Y623 HydrophobicContact CG1-CD2 4.39Å; I467-Y623 HydrophobicContact CG1-CE1 3.48Å; I467-Y623 VanDerWaalsContact CG1-CE1 3.48Å; I467-Y623 HydrophobicContact CG1-CE2 4.25Å; I467-Y623 HydrophobicContact CG1-CG 4.09Å
468S92.6Very high93.8Very high76 Ų7660.9 Ų60.953%0.53135%0.346SS..THydrogen-bonded Turntrans-89.2-18.5-175.474.60000114.3D465 G470D465-S468 VanDerWaalsContact CB-OG 3.24Å; D465-S468 WeakPolarHBondContact CB-OG 2.98Å; D465-S468 PolarHBondContact OD1-N 2.73Å; D465-S468 PolarHBondContact OD2-OG 3.48Å; S468-G470 PolarHBondContact O-N 3.31Å; S468-G470 PolarHBondContact OG-N 3.47Å
469G93.4Very high93Very high49 Ų4964 Ų6451%0.50538%0.383SS..SBendtrans71.4-2.4-172.200000114.6D465D465-G469 WeakPolarHBondContact O-CA 3.45Å; D465-G469 PolarHBondContact O-N 3.45Å
470G94.2Very high92.6Very high25 Ų2563 Ų6326%0.25838%0.376SS..SBendtrans-90-165.2-179.100000113.8K464 D465 S468K464-G470 WeakPolarHBondContact CA-O 3.22Å; D465-G470 WeakPolarHBondContact CB-O 3.47Å; D465-G470 PolarHBondContact N-O 3.25Å; S468-G470 PolarHBondContact O-N 3.31Å; S468-G470 PolarHBondContact OG-N 3.47Å
471P95.2Very high92.1Very high75 Ų7561.6 Ų61.649%0.48737%0.367SS..BIsolated β-bridgetrans-72.5149.6175.130.7-34.7000111.5R473P471-R473 WeakPolarHBondContact O-CG 3.47Å; P471-R473 PolarHBondContact O-N 3.1Å
472I95.8Very high91.7Very high12 Ų1257.8 Ų57.86%0.06234%0.338CS..  trans-62.7132.1170.8-56-58.9000110.1Y352 F448 F458 T463 D465 S474 W475 T627Y352-I472 WeakPolarHBondContact OH-CD1 3.12Å; F448-I472 HydrophobicContact CD2-CG1 4.44Å; F448-I472 HydrophobicContact CD2-CG2 3.98Å; F448-I472 HydrophobicContact CE2-CD1 3.97Å; F448-I472 HydrophobicContact CE2-CG1 4.11Å; F448-I472 HydrophobicContact CE2-CG2 4.42Å; F458-I472 HydrophobicContact CE2-CB 3.84Å; F458-I472 HydrophobicContact CE2-CG1 3.98Å; F458-I472 HydrophobicContact CE2-CG2 4.06Å; F458-I472 HydrophobicContact CZ-CB 4.12Å; F458-I472 HydrophobicContact CZ-CG2 3.89Å; T463-I472 HydrophobicContact CG2-CD1 4.16Å; T463-I472 HydrophobicContact CG2-CG1 3.76Å; D465-I472 HydrophobicContact CB-CD1 4.11Å; I472-S474 WeakPolarHBondContact CG2-O 3.26Å; I472-W475 HydrophobicContact CG2-CE3 4.31Å; I472-T627 HydrophobicContact CD1-CG2 4.15Å; I472-T627 HydrophobicContact CG2-CG2 4.33Å
473R93.3Very high91.1Very high205 Ų20558.5 Ų58.577%0.77434%0.337SS*.  trans-117.6-2.4-177.3-60.9-175.3-178.4-166-0.7114.5P471P471-R473 WeakPolarHBondContact O-CG 3.47Å; P471-R473 PolarHBondContact O-N 3.1Å
474S94.2Very high90.4Very high41 Ų4161.6 Ų61.629%0.28736%0.358SS..  trans-144.7146.2-179.158.90000111I472 T627I472-S474 WeakPolarHBondContact CG2-O 3.26Å; S474-T627 CarbonylContact C-O 3.46Å; S474-T627 WeakPolarHBondContact CB-O 3.13Å; S474-T627 VanDerWaalsContact O-O 3.06Å; S474-T627 PolarHBondContact OG-O 2.93Å
475W96.3Very high89.9Confident48 Ų4858 Ų5818%0.18234%0.343CS..  trans-159.1170.5-178.246.678000107.8F448 L456 F458 I472 E477 T627 A628F448-W475 HydrophobicContact CB-CB 3.95Å; F448-W475 CarbonylContact O-C 3.57Å; F448-W475 WeakPolarHBondContact O-CA 3.38Å; F448-W475 WeakPolarHBondContact O-CB 3.34Å; L456-W475 HydrophobicContact CD2-CD2 3.97Å; L456-W475 HydrophobicContact CD2-CG 4.03Å; F458-W475 HydrophobicContact CE1-CB 4.29Å; F458-W475 HydrophobicContact CE1-CE3 4.3Å; F458-W475 AromaticContact CZ-CE3 3.92Å; F458-W475 HydrophobicContact CZ-CE3 3.92Å; I472-W475 HydrophobicContact CG2-CE3 4.31Å; W475-E477 PolarHBondContact NE1-OE1 2.98Å; W475-T627 PolarHBondContact N-O 3.27Å; W475-A628 VanDerWaalsContact C-CB 3.47Å
476Y93.3Very high89.5Confident1 Ų157.3 Ų57.30%0.00434%0.339CS..BIsolated β-bridgetrans-75.8129.5171.8-63.4-94.4000110L447 F448 Q449 R450 E480 T481 Y482 K485 F486 K625 A628L447-Y476 HydrophobicContact CB-CD2 4Å; L447-Y476 HydrophobicContact CB-CE2 3.96Å; L447-Y476 HydrophobicContact CD1-CE2 4.24Å; L447-Y476 HydrophobicContact CD2-CE2 3.81Å; L447-Y476 HydrophobicContact CG-CE2 4.21Å; F448-Y476 WeakPolarHBondContact O-CD2 3.49Å; F448-Y476 PolarHBondContact O-N 3.18Å; Q449-Y476 WeakPolarHBondContact CA-O 3.44Å; Q449-Y476 HydrophobicContact CG-CD2 4.31Å; Q449-Y476 HydrophobicContact CG-CG 4.49Å; R450-Y476 PolarHBondContact N-O 2.82Å; Y476-E480 HydrophobicContact CD1-CB 4.14Å; Y476-T481 VanDerWaalsContact CE1-O 3.29Å; Y476-T481 WeakPolarHBondContact CE1-O 3.39Å; Y476-Y482 WeakPolarHBondContact OH-CD2 3.45Å; Y476-K485 HydrophobicContact CD1-CG 3.7Å; Y476-K485 HydrophobicContact CE1-CB 3.93Å; Y476-K485 HydrophobicContact CE1-CG 3.49Å; Y476-K485 VanDerWaalsContact CE1-CG 3.49Å; Y476-F486 WeakPolarHBondContact OH-CE2 3.09Å; Y476-K625 VanDerWaalsContact CE2-O 3.3Å; Y476-K625 WeakPolarHBondContact CE2-O 3.32Å; Y476-K625 PolarHBondContact OH-O 3.28Å; Y476-K625 VanDerWaalsContact OH-O 3.05Å; Y476-A628 HydrophobicContact CD1-CB 4Å; Y476-A628 HydrophobicContact CD2-CB 3.65Å; Y476-A628 HydrophobicContact CE1-CB 3.95Å; Y476-A628 HydrophobicContact CE2-CB 3.58Å; Y476-A628 HydrophobicContact CG-CB 3.84Å
477E93.7Very high89Confident67 Ų6759.6 Ų59.631%0.31336%0.357SS..PPolyproline II helixtrans-84.6164.8172.5-66.1-67.2170.100111.3R450 W475 G479 E480R450-E477 WeakPolarHBondContact CD-OE2 3.48Å; R450-E477 IonicContact CZ-OE1 3.2Å; R450-E477 IonicContact CZ-OE2 2.79Å; R450-E477 IonicContact NE-OE2 3.81Å; R450-E477 IonicContact NH1-OE1 3.53Å; R450-E477 PolarHBondContact NH1-OE1 3.06Å; R450-E477 IonicContact NH1-OE2 2.74Å; R450-E477 PolarHBondContact NH1-OE2 3.38Å; W475-E477 PolarHBondContact NE1-OE1 2.98Å; E477-G479 PolarHBondContact O-N 3.02Å; E477-G479 VanDerWaalsContact O-N 3.16Å; E477-E480 HydrophobicContact CB-CG 4.16Å; E477-E480 PolarHBondContact N-OE2 3.12Å; E477-E480 WeakPolarHBondContact O-CB 3.45Å; E477-E480 PolarHBondContact O-N 2.58Å
478P86.8Confident88.5Confident76 Ų7660.6 Ų60.649%0.49437%0.372SS..THydrogen-bonded Turntrans-54122.2179.4-27.234.7000112.8R450R450-P478 WeakPolarHBondContact O-CD 3.37Å; R450-P478 WeakPolarHBondContact O-CG 3.33Å
479G79.6Confident88.3Confident80 Ų8058.2 Ų58.283%0.82535%0.353SS*.THydrogen-bonded Turntrans90.5-9.2-177.300000114.7E477E477-G479 PolarHBondContact O-N 3.02Å; E477-G479 VanDerWaalsContact O-N 3.16Å
480E84.8Confident88Confident57 Ų5756.2 Ų56.227%0.26633%0.331SS..  trans-81.8132.1170-59-171.2137.600110.5Y476 E477 K485Y476-E480 HydrophobicContact CD1-CB 4.14Å; E477-E480 HydrophobicContact CB-CG 4.16Å; E477-E480 PolarHBondContact N-OE2 3.12Å; E477-E480 WeakPolarHBondContact O-CB 3.45Å; E477-E480 PolarHBondContact O-N 2.58Å; E480-K485 HydrophobicContact CB-CD 4.22Å; E480-K485 HydrophobicContact CB-CG 4.28Å; E480-K485 HydrophobicContact CG-CD 4.27Å; E480-K485 IonicContact OE1-NZ 3.68Å; E480-K485 PolarHBondContact OE1-NZ 3.38Å; E480-K485 IonicContact OE2-NZ 3.28Å; E480-K485 PolarHBondContact OE2-NZ 3.07Å
481T82Confident87.7Confident48 Ų4857 Ų5729%0.29433%0.333SS..  trans-115.5169174.666.90000110.2Y476 D483 S484 K485Y476-T481 VanDerWaalsContact CE1-O 3.29Å; Y476-T481 WeakPolarHBondContact CE1-O 3.39Å; T481-D483 PolarHBondContact O-N 3.43Å; T481-S484 PolarHBondContact N-OG 2.87Å; T481-S484 PolarHBondContact O-N 2.6Å; T481-S484 PolarHBondContact O-OG 3.31Å; T481-S484 PolarHBondContact OG1-N 3.4Å; T481-S484 VanDerWaalsContact OG1-N 3.1Å; T481-K485 WeakPolarHBondContact O-CG 3.32Å; T481-K485 PolarHBondContact O-N 3.07Å; T481-K485 VanDerWaalsContact O-N 3.12Å
482Y84.2Confident87.5Confident17 Ų1753.8 Ų53.87%0.06731%0.313CS..Hα-helixtrans-54.8-45.4173.1174.2-102.5000111.2Y476 K485 F486 S490 I493 E494 K625Y476-Y482 WeakPolarHBondContact OH-CD2 3.45Å; Y482-K485 PolarHBondContact O-N 2.79Å; Y482-F486 AromaticContact CD2-CD2 3.64Å; Y482-F486 HydrophobicContact CD2-CD2 3.64Å; Y482-F486 AromaticContact CD2-CE2 3.97Å; Y482-F486 HydrophobicContact CD2-CE2 3.97Å; Y482-F486 HydrophobicContact CD2-CG 4.39Å; Y482-F486 HydrophobicContact CE2-CB 4.44Å; Y482-F486 AromaticContact CE2-CD2 3.53Å; Y482-F486 HydrophobicContact CE2-CD2 3.53Å; Y482-F486 AromaticContact CE2-CE2 3.83Å; Y482-F486 HydrophobicContact CE2-CE2 3.83Å; Y482-F486 AromaticContact CE2-CG 3.91Å; Y482-F486 HydrophobicContact CE2-CG 3.91Å; Y482-F486 HydrophobicContact CE2-CZ 4.43Å; Y482-F486 HydrophobicContact CG-CD2 4.48Å; Y482-F486 PolarHBondContact O-N 2.86Å; Y482-S490 WeakPolarHBondContact CE1-O 3.45Å; Y482-S490 PolarHBondContact OH-O 2.87Å; Y482-I493 VanDerWaalsContact OH-CB 3.32Å; Y482-I493 WeakPolarHBondContact OH-CB 3.38Å; Y482-I493 WeakPolarHBondContact OH-CG2 3.39Å; Y482-E494 HydrophobicContact CE1-CB 3.88Å; Y482-E494 PolarHBondContact OH-N 2.82Å; Y482-K625 HydrophobicContact CD2-CG 3.96Å; Y482-K625 HydrophobicContact CE2-CB 4.31Å; Y482-K625 HydrophobicContact CE2-CD 4.25Å; Y482-K625 HydrophobicContact CE2-CG 3.87Å
483D78.9Confident87.5Confident80 Ų8053.5 Ų53.543%0.42831%0.312SS..Hα-helixtrans-66.6-40.2179.7-61.9-22.1000112.4T481 K485 S487 S490T481-D483 PolarHBondContact O-N 3.43Å; D483-K485 VanDerWaalsContact C-N 3.27Å; D483-K485 PolarHBondContact O-N 2.92Å; D483-S487 VanDerWaalsContact O-CA 3.25Å; D483-S487 WeakPolarHBondContact O-CA 3.44Å; D483-S487 PolarHBondContact O-N 3.26Å; D483-S490 WeakPolarHBondContact OD1-CB 3.22Å
484S80.8Confident87.6Confident69 Ų6945 Ų4548%0.48328%0.28SS..Hα-helixtrans-66.6-30178.685.30000112.4T481T481-S484 PolarHBondContact N-OG 2.87Å; T481-S484 PolarHBondContact O-N 2.6Å; T481-S484 PolarHBondContact O-OG 3.31Å; T481-S484 PolarHBondContact OG1-N 3.4Å; T481-S484 VanDerWaalsContact OG1-N 3.1Å
485K86.7Confident87.6Confident62 Ų6243.8 Ų43.827%0.2727%0.27SS..Hα-helixtrans-84.2-44.1179.7-65-66.8-83.7-145.20113.3Y476 E480 T481 Y482 D483 A630Y476-K485 HydrophobicContact CD1-CG 3.7Å; Y476-K485 HydrophobicContact CE1-CB 3.93Å; Y476-K485 HydrophobicContact CE1-CG 3.49Å; Y476-K485 VanDerWaalsContact CE1-CG 3.49Å; E480-K485 HydrophobicContact CB-CD 4.22Å; E480-K485 HydrophobicContact CB-CG 4.28Å; E480-K485 HydrophobicContact CG-CD 4.27Å; E480-K485 IonicContact OE1-NZ 3.68Å; E480-K485 PolarHBondContact OE1-NZ 3.38Å; E480-K485 IonicContact OE2-NZ 3.28Å; E480-K485 PolarHBondContact OE2-NZ 3.07Å; T481-K485 WeakPolarHBondContact O-CG 3.32Å; T481-K485 PolarHBondContact O-N 3.07Å; T481-K485 VanDerWaalsContact O-N 3.12Å; Y482-K485 PolarHBondContact O-N 2.79Å; D483-K485 VanDerWaalsContact C-N 3.27Å; D483-K485 PolarHBondContact O-N 2.92Å; K485-A630 HydrophobicContact CB-CB 4.16Å; K485-A630 WeakPolarHBondContact O-CB 3.46Å
486F87.6Confident87.7Confident2 Ų241.5 Ų41.51%0.00926%0.262CS..Hα-helixtrans-91.6-11.6-176.6-74.8-96000113.1Y476 Y482 S488 L489 I493 A630Y476-F486 WeakPolarHBondContact OH-CE2 3.09Å; Y482-F486 AromaticContact CD2-CD2 3.64Å; Y482-F486 HydrophobicContact CD2-CD2 3.64Å; Y482-F486 AromaticContact CD2-CE2 3.97Å; Y482-F486 HydrophobicContact CD2-CE2 3.97Å; Y482-F486 HydrophobicContact CD2-CG 4.39Å; Y482-F486 HydrophobicContact CE2-CB 4.44Å; Y482-F486 AromaticContact CE2-CD2 3.53Å; Y482-F486 HydrophobicContact CE2-CD2 3.53Å; Y482-F486 AromaticContact CE2-CE2 3.83Å; Y482-F486 HydrophobicContact CE2-CE2 3.83Å; Y482-F486 AromaticContact CE2-CG 3.91Å; Y482-F486 HydrophobicContact CE2-CG 3.91Å; Y482-F486 HydrophobicContact CE2-CZ 4.43Å; Y482-F486 HydrophobicContact CG-CD2 4.48Å; Y482-F486 PolarHBondContact O-N 2.86Å; F486-S488 PolarHBondContact O-N 3.08Å; F486-L489 PolarHBondContact O-N 3.18Å; F486-I493 HydrophobicContact CD1-CD1 3.58Å; F486-I493 HydrophobicContact CE1-CD1 4.08Å; F486-A630 HydrophobicContact CD1-CB 4.31Å; F486-A630 HydrophobicContact CD2-CB 4.24Å; F486-A630 HydrophobicContact CE1-CB 4.3Å; F486-A630 HydrophobicContact CE2-CB 4.2Å; F486-A630 HydrophobicContact CG-CB 4.29Å; F486-A630 HydrophobicContact CZ-CB 4.24Å
487S84.3Confident87.9Confident75 Ų7541.5 Ų41.552%0.52426%0.262SS..G310 helixtrans52.8-126.9172.169.60000112.2D483 L489 S490D483-S487 VanDerWaalsContact O-CA 3.25Å; D483-S487 WeakPolarHBondContact O-CA 3.44Å; D483-S487 PolarHBondContact O-N 3.26Å; S487-L489 PolarHBondContact O-N 3.44Å; S487-L489 VanDerWaalsContact O-N 3.12Å; S487-S490 WeakPolarHBondContact O-CB 3.34Å; S487-S490 PolarHBondContact O-N 2.86Å; S487-S490 VanDerWaalsContact O-N 3.15Å; S487-S490 PolarHBondContact O-OG 2.83Å
488S80.9Confident88Confident108 Ų10838.3 Ų38.376%0.75525%0.247SC*.G310 helixtrans-65.6-13.1-177.357.20000115.2F486F486-S488 PolarHBondContact O-N 3.08Å
489L87.9Confident88.6Confident25 Ų2535.1 Ų35.113%0.13123%0.225CC..G310 helixtrans-100.1-8.4177.3-67.4176.6000113.4F486 S487 S491 A492 I493 C634 F637 Q638F486-L489 PolarHBondContact O-N 3.18Å; S487-L489 PolarHBondContact O-N 3.44Å; S487-L489 VanDerWaalsContact O-N 3.12Å; L489-S491 PolarHBondContact O-N 3.17Å; L489-A492 PolarHBondContact O-N 3.1Å; L489-I493 HydrophobicContact CB-CD1 3.77Å; L489-I493 HydrophobicContact CB-CG1 4.32Å; L489-I493 WeakPolarHBondContact O-CB 3.4Å; L489-I493 VanDerWaalsContact O-CG1 3.3Å; L489-I493 WeakPolarHBondContact O-CG1 3.23Å; L489-I493 PolarHBondContact O-N 3.43Å; L489-C634 HydrophobicContact CD1-CB 3.79Å; L489-F637 HydrophobicContact CD2-CD1 4.46Å; L489-Q638 HydrophobicContact CD1-CG 3.7Å
490S87.8Confident89.5Confident7 Ų731.3 Ų31.35%0.04919%0.186CC..Hα-helixtrans-48.8-59.4-178.154.60000111.7Y482 D483 S487 A492 I493 E494Y482-S490 WeakPolarHBondContact CE1-O 3.45Å; Y482-S490 PolarHBondContact OH-O 2.87Å; D483-S490 WeakPolarHBondContact OD1-CB 3.22Å; S487-S490 WeakPolarHBondContact O-CB 3.34Å; S487-S490 PolarHBondContact O-N 2.86Å; S487-S490 VanDerWaalsContact O-N 3.15Å; S487-S490 PolarHBondContact O-OG 2.83Å; S490-A492 PolarHBondContact O-N 2.87Å; S490-I493 PolarHBondContact O-N 2.99Å; S490-E494 WeakPolarHBondContact O-CB 3.36Å; S490-E494 PolarHBondContact O-N 3.46Å
491S87.7Confident90.1Very high43 Ų4328.6 Ų28.630%0.30117%0.173SC..Hα-helixtrans-60.8-48.7-179.2-41.90000111.5L489 I493 E494 E495L489-S491 PolarHBondContact O-N 3.17Å; S491-I493 VanDerWaalsContact C-N 3.32Å; S491-I493 PolarHBondContact O-N 3.1Å; S491-E494 PolarHBondContact O-N 3.41Å; S491-E494 VanDerWaalsContact O-N 3.16Å; S491-E495 WeakPolarHBondContact O-CB 3.48Å; S491-E495 VanDerWaalsContact O-CG 3.22Å; S491-E495 WeakPolarHBondContact O-CG 3.41Å; S491-E495 PolarHBondContact O-N 3.18Å
492A91.6Very high90.9Very high7 Ų726.3 Ų26.36%0.05816%0.159CC..Hα-helixtrans-61.5-38.3-177.700000113.3L489 S490 C496 A563 C566 F637L489-A492 PolarHBondContact O-N 3.1Å; S490-A492 PolarHBondContact O-N 2.87Å; A492-C496 VanDerWaalsContact O-CB 3.27Å; A492-C496 WeakPolarHBondContact O-CB 3.41Å; A492-C496 PolarHBondContact O-N 3.36Å; A492-A563 HydrophobicContact CB-CB 4.21Å; A492-C566 HydrophobicContact CB-CB 4Å; A492-F637 HydrophobicContact CB-CE1 3.87Å; A492-F637 HydrophobicContact CB-CZ 4.18Å; A492-F637 WeakPolarHBondContact O-CZ 3.43Å
493I95.9Very high91.5Very high6 Ų625.5 Ų25.53%0.03116%0.156CC..Hα-helixtrans-68.8-42.2176.6-69.5166.3000110.6Y482 F486 L489 S490 S491 C496 R497 I621 F637Y482-I493 VanDerWaalsContact OH-CB 3.32Å; Y482-I493 WeakPolarHBondContact OH-CB 3.38Å; Y482-I493 WeakPolarHBondContact OH-CG2 3.39Å; F486-I493 HydrophobicContact CD1-CD1 3.58Å; F486-I493 HydrophobicContact CE1-CD1 4.08Å; L489-I493 HydrophobicContact CB-CD1 3.77Å; L489-I493 HydrophobicContact CB-CG1 4.32Å; L489-I493 WeakPolarHBondContact O-CB 3.4Å; L489-I493 VanDerWaalsContact O-CG1 3.3Å; L489-I493 WeakPolarHBondContact O-CG1 3.23Å; L489-I493 PolarHBondContact O-N 3.43Å; S490-I493 PolarHBondContact O-N 2.99Å; S491-I493 VanDerWaalsContact C-N 3.32Å; S491-I493 PolarHBondContact O-N 3.1Å; I493-C496 PolarHBondContact O-N 2.82Å; I493-R497 PolarHBondContact O-N 3.29Å; I493-I621 HydrophobicContact CG2-CG2 3.78Å; I493-F637 HydrophobicContact CD1-CB 4.05Å; I493-F637 HydrophobicContact CD1-CD1 4.22Å; I493-F637 HydrophobicContact CD1-CG 4.17Å; I493-F637 HydrophobicContact CG1-CB 3.83Å; I493-F637 HydrophobicContact CG1-CD1 3.47Å; I493-F637 VanDerWaalsContact CG1-CD1 3.47Å; I493-F637 HydrophobicContact CG1-CD2 3.85Å; I493-F637 HydrophobicContact CG1-CE1 3.9Å; I493-F637 HydrophobicContact CG1-CE2 4.25Å; I493-F637 HydrophobicContact CG1-CG 3.43Å; I493-F637 VanDerWaalsContact CG1-CG 3.43Å; I493-F637 HydrophobicContact CG1-CZ 4.27Å
494E93.6Very high92.4Very high25 Ų2523 Ų2312%0.11714%0.141CC..Hα-helixtrans-68.8-42.7-178.5177.556.8-172.800111.9H442 Y482 S490 S491 C496 R497 A498 K625H442-E494 IonicContact CE1-OE1 3.84Å; H442-E494 IonicContact CG-OE1 2.81Å; H442-E494 IonicContact ND1-OE1 2.78Å; H442-E494 PolarHBondContact ND1-OE1 2.83Å; Y482-E494 HydrophobicContact CE1-CB 3.88Å; Y482-E494 PolarHBondContact OH-N 2.82Å; S490-E494 WeakPolarHBondContact O-CB 3.36Å; S490-E494 PolarHBondContact O-N 3.46Å; S491-E494 PolarHBondContact O-N 3.41Å; S491-E494 VanDerWaalsContact O-N 3.16Å; E494-C496 VanDerWaalsContact C-N 3.31Å; E494-C496 PolarHBondContact O-N 3.24Å; E494-R497 WeakPolarHBondContact O-CB 3.27Å; E494-R497 PolarHBondContact O-N 3.13Å; E494-R497 IonicContact OE1-CZ 3.86Å; E494-R497 IonicContact OE1-NE 2.98Å; E494-R497 IonicContact OE1-NH2 2.76Å; E494-R497 PolarHBondContact OE1-NH2 2.63Å; E494-R497 IonicContact OE2-CZ 2.78Å; E494-R497 IonicContact OE2-NE 3.27Å; E494-R497 PolarHBondContact OE2-NE 2.7Å; E494-R497 IonicContact OE2-NH2 2.69Å; E494-R497 PolarHBondContact OE2-NH2 3.08Å; E494-A498 PolarHBondContact O-N 3.3Å; E494-K625 VanDerWaalsContact CD-NZ 3.25Å; E494-K625 IonicContact OE1-NZ 3.51Å; E494-K625 PolarHBondContact OE1-NZ 2.94Å; E494-K625 IonicContact OE2-NZ 3.13Å; E494-K625 PolarHBondContact OE2-NZ 3.35Å
495E94.9Very high93.1Very high17 Ų1719.7 Ų19.78%0.07912%0.118CC..Hα-helixtrans-59.2-42.9171.8-68.6-55.4155.500111.5H437 H442 S491 R497 A498 E499 A563 H564 A567H437-E495 IonicContact CE1-OE2 2.85Å; H437-E495 PolarHBondContact CE1-OE2 3.38Å; H437-E495 IonicContact NE2-OE2 3.25Å; H437-E495 PolarHBondContact NE2-OE2 2.95Å; H442-E495 IonicContact NE2-OE2 3.27Å; S491-E495 WeakPolarHBondContact O-CB 3.48Å; S491-E495 VanDerWaalsContact O-CG 3.22Å; S491-E495 WeakPolarHBondContact O-CG 3.41Å; S491-E495 PolarHBondContact O-N 3.18Å; E495-R497 VanDerWaalsContact C-N 3.31Å; E495-R497 PolarHBondContact O-N 2.9Å; E495-A498 PolarHBondContact O-N 3.39Å; E495-E499 WeakPolarHBondContact O-CB 3.26Å; E495-E499 VanDerWaalsContact O-CG 3.23Å; E495-E499 WeakPolarHBondContact O-CG 3.34Å; E495-E499 PolarHBondContact O-N 3.17Å; E495-A563 HydrophobicContact CG-CB 4.37Å; E495-H564 IonicContact OE1-CE1 2.66Å; E495-H564 PolarHBondContact OE1-CE1 3.49Å; E495-H564 IonicContact OE1-ND1 3.88Å; E495-H564 IonicContact OE1-NE2 2.88Å; E495-H564 IonicContact OE2-CD2 2.67Å; E495-H564 IonicContact OE2-CE1 2.73Å; E495-H564 PolarHBondContact OE2-CE1 2.9Å; E495-H564 IonicContact OE2-CG 3.55Å; E495-H564 IonicContact OE2-ND1 3.69Å; E495-H564 IonicContact OE2-NE2 3.69Å; E495-H564 PolarHBondContact OE2-NE2 2.49Å; E495-A567 HydrophobicContact CB-CB 3.99Å
496C98Very high93.5Very high0 Ų016.8 Ų16.80%011%0.105CC..Hα-helixtrans-62.8-40.8177.6-1660000112A492 I493 E494 C500 A567 F617 F637A492-C496 VanDerWaalsContact O-CB 3.27Å; A492-C496 WeakPolarHBondContact O-CB 3.41Å; A492-C496 PolarHBondContact O-N 3.36Å; I493-C496 PolarHBondContact O-N 2.82Å; E494-C496 VanDerWaalsContact C-N 3.31Å; E494-C496 PolarHBondContact O-N 3.24Å; C496-C500 VanDerWaalsContact O-CB 3.29Å; C496-C500 WeakPolarHBondContact O-CB 3.25Å; C496-C500 PolarHBondContact O-N 3.02Å; C496-C500 PolarHBondContact O-SG 2.98Å; C496-A567 VanDerWaalsContact CA-CB 3.45Å; C496-A567 HydrophobicContact CB-CB 3.53Å; C496-A567 PolarHBondContact SG-O 2.93Å; C496-F617 VanDerWaalsContact SG-CE1 3.58Å; C496-F637 HydrophobicContact CB-CE2 3.56Å; C496-F637 HydrophobicContact CB-CZ 4.02Å
497R98.3Very high93.8Very high0 Ų018 Ų180%011%0.112CC..Hα-helixtrans-61.1-48.9175.1-165.6-171.364.479.11111.1G441 S444 I493 E494 E495 C500 V501 L618 I621G441-R497 PolarHBondContact O-NH1 3Å; G441-R497 PolarHBondContact O-NH2 3.27Å; S444-R497 PolarHBondContact OG-NH1 2.99Å; I493-R497 PolarHBondContact O-N 3.29Å; E494-R497 WeakPolarHBondContact O-CB 3.27Å; E494-R497 PolarHBondContact O-N 3.13Å; E494-R497 IonicContact OE1-CZ 3.86Å; E494-R497 IonicContact OE1-NE 2.98Å; E494-R497 IonicContact OE1-NH2 2.76Å; E494-R497 PolarHBondContact OE1-NH2 2.63Å; E494-R497 IonicContact OE2-CZ 2.78Å; E494-R497 IonicContact OE2-NE 3.27Å; E494-R497 PolarHBondContact OE2-NE 2.7Å; E494-R497 IonicContact OE2-NH2 2.69Å; E494-R497 PolarHBondContact OE2-NH2 3.08Å; E495-R497 VanDerWaalsContact C-N 3.31Å; E495-R497 PolarHBondContact O-N 2.9Å; R497-C500 WeakPolarHBondContact O-CB 3.3Å; R497-C500 PolarHBondContact O-N 2.65Å; R497-V501 WeakPolarHBondContact O-CG2 3.28Å; R497-V501 PolarHBondContact O-N 3.16Å; R497-L618 HydrophobicContact CB-CD1 4.49Å; R497-L618 HydrophobicContact CG-CD1 3.59Å; R497-I621 HydrophobicContact CB-CG2 3.85Å; R497-I621 HydrophobicContact CG-CG2 3.93Å
498A96.8Very high94.2Very high0 Ų015.6 Ų15.60%09%0.093CC..Hα-helixtrans-66.2-42.4-178.600000112.5H437 E494 E495 C500 V501 G502H437-A498 VanDerWaalsContact CE1-CB 3.45Å; H437-A498 WeakPolarHBondContact CE1-CB 3.48Å; E494-A498 PolarHBondContact O-N 3.3Å; E495-A498 PolarHBondContact O-N 3.39Å; A498-C500 VanDerWaalsContact C-N 3.35Å; A498-C500 PolarHBondContact O-N 3.4Å; A498-V501 PolarHBondContact O-N 2.96Å; A498-G502 PolarHBondContact O-N 3.11Å; A498-G502 VanDerWaalsContact O-N 3.12Å
499E98.2Very high94.6Very high9 Ų915 Ų154%0.0429%0.086CC..Hα-helixtrans-61.1-41.6173.4-71.3-78.6-147.200111.9Q433 H437 E495 G502 I503 M537 R568 I571Q433-E499 PolarHBondContact NE2-O 2.93Å; Q433-E499 PolarHBondContact NE2-OE2 2.9Å; H437-E499 PolarHBondContact ND1-N 3.48Å; H437-E499 IonicContact ND1-OE2 2.7Å; E495-E499 WeakPolarHBondContact O-CB 3.26Å; E495-E499 VanDerWaalsContact O-CG 3.23Å; E495-E499 WeakPolarHBondContact O-CG 3.34Å; E495-E499 PolarHBondContact O-N 3.17Å; E499-G502 PolarHBondContact O-N 3.37Å; E499-I503 PolarHBondContact O-N 2.71Å; E499-M537 HydrophobicContact CB-CE 3.8Å; E499-M537 HydrophobicContact CG-CE 4.23Å; E499-M537 VanDerWaalsContact OE2-CE 3.3Å; E499-M537 WeakPolarHBondContact OE2-CE 3.44Å; E499-R568 IonicContact OE1-CZ 3.69Å; E499-R568 IonicContact OE1-NE 2.73Å; E499-R568 PolarHBondContact OE1-NE 3.4Å; E499-R568 IonicContact OE1-NH2 3.8Å; E499-R568 PolarHBondContact OE1-NH2 3Å; E499-I571 HydrophobicContact CB-CD1 3.59Å
500C98.5Very high94.7Very high0 Ų015.4 Ų15.40%09%0.088CC..Hα-helixtrans-61.5-42.3174.7-76.20000112.3C496 R497 A498 G502 I503 Y504 I614 L618C496-C500 VanDerWaalsContact O-CB 3.29Å; C496-C500 WeakPolarHBondContact O-CB 3.25Å; C496-C500 PolarHBondContact O-N 3.02Å; C496-C500 PolarHBondContact O-SG 2.98Å; R497-C500 WeakPolarHBondContact O-CB 3.3Å; R497-C500 PolarHBondContact O-N 2.65Å; A498-C500 VanDerWaalsContact C-N 3.35Å; A498-C500 PolarHBondContact O-N 3.4Å; C500-G502 VanDerWaalsContact C-N 3.31Å; C500-G502 PolarHBondContact O-N 2.67Å; C500-I503 WeakPolarHBondContact O-CG1 3.29Å; C500-I503 PolarHBondContact O-N 2.85Å; C500-Y504 WeakPolarHBondContact O-CB 3.18Å; C500-Y504 PolarHBondContact O-N 3.47Å; C500-I614 HydrophobicContact CB-CG2 3.97Å; C500-L618 HydrophobicContact CB-CB 4.24Å; C500-L618 HydrophobicContact CB-CD1 3.96Å; C500-L618 HydrophobicContact CB-CD2 4.3Å; C500-L618 HydrophobicContact CB-CG 4.39Å
501V98.3Very high95Very high0 Ų015 Ų150%09%0.086CC..Hα-helixtrans-59.2-45.5176169.50000110.6L346 W348 L440 R497 A498 I503 Y504 L505 L618L346-V501 HydrophobicContact CD2-CB 4.44Å; L346-V501 HydrophobicContact CD2-CG1 3.95Å; L346-V501 HydrophobicContact CD2-CG2 3.86Å; W348-V501 HydrophobicContact CH2-CG2 4.2Å; L440-V501 HydrophobicContact CB-CG1 3.97Å; R497-V501 WeakPolarHBondContact O-CG2 3.28Å; R497-V501 PolarHBondContact O-N 3.16Å; A498-V501 PolarHBondContact O-N 2.96Å; V501-I503 PolarHBondContact O-N 2.97Å; V501-Y504 PolarHBondContact O-N 3.17Å; V501-L505 HydrophobicContact CG1-CD1 3.69Å; V501-L505 HydrophobicContact CG1-CG 4.22Å; V501-L505 PolarHBondContact O-N 2.72Å; V501-L618 HydrophobicContact CG2-CD1 4.04Å; V501-L618 HydrophobicContact CG2-CD2 3.82Å
502G97.4Very high95.2Very high0 Ų013.3 Ų13.30%07%0.073CC..Hα-helixtrans-55.1-54.4178.100000113Q433 L436 A498 E499 C500 Y504 C506Q433-G502 VanDerWaalsContact OE1-CA 3.27Å; L436-G502 VanDerWaalsContact CD1-O 3.32Å; L436-G502 WeakPolarHBondContact CD1-O 3.49Å; A498-G502 PolarHBondContact O-N 3.11Å; A498-G502 VanDerWaalsContact O-N 3.12Å; E499-G502 PolarHBondContact O-N 3.37Å; C500-G502 VanDerWaalsContact C-N 3.31Å; C500-G502 PolarHBondContact O-N 2.67Å; G502-Y504 VanDerWaalsContact C-N 3.34Å; G502-Y504 PolarHBondContact O-N 3.42Å; G502-C506 VanDerWaalsContact O-CB 3.25Å; G502-C506 WeakPolarHBondContact O-CB 3.39Å; G502-C506 PolarHBondContact O-N 3.01Å; G502-C506 VanDerWaalsContact O-N 3.1Å
503I97.6Very high95.1Very high1 Ų118.4 Ų18.41%0.00510%0.096CC..Hα-helixtrans-71-27.8-179.964.9-177.9000112.7E499 C500 V501 C506 W534 M537 I571 I614E499-I503 PolarHBondContact O-N 2.71Å; C500-I503 WeakPolarHBondContact O-CG1 3.29Å; C500-I503 PolarHBondContact O-N 2.85Å; V501-I503 PolarHBondContact O-N 2.97Å; I503-C506 PolarHBondContact O-SG 3.24Å; I503-W534 HydrophobicContact CB-CD2 4.34Å; I503-W534 HydrophobicContact CB-CH2 4.39Å; I503-W534 HydrophobicContact CB-CZ2 4.13Å; I503-W534 HydrophobicContact CD1-CE3 4.43Å; I503-W534 HydrophobicContact CD1-CH2 4.26Å; I503-W534 HydrophobicContact CD1-CZ3 4.04Å; I503-W534 HydrophobicContact CG1-CH2 4.25Å; I503-W534 HydrophobicContact CG1-CZ2 4.41Å; I503-W534 HydrophobicContact CG1-CZ3 4.47Å; I503-W534 WeakPolarHBondContact O-CZ2 3.42Å; I503-W534 PolarHBondContact O-NE1 2.97Å; I503-M537 HydrophobicContact CD1-CG 4.17Å; I503-M537 HydrophobicContact CG2-CB 4.18Å; I503-M537 HydrophobicContact CG2-CE 3.93Å; I503-M537 HydrophobicContact CG2-CG 4.26Å; I503-I571 HydrophobicContact CD1-CG2 3.78Å; I503-I614 HydrophobicContact CD1-CD1 4.04Å; I503-I614 HydrophobicContact CD1-CG1 3.96Å; I503-I614 HydrophobicContact CD1-CG2 4.14Å; I503-I614 HydrophobicContact CG1-CG2 4.1Å
504Y97.8Very high94.7Very high27 Ų2718.9 Ų18.911%0.10610%0.098CC..Hα-helixtrans-72.9-38.3-180-175.7-97.7000113H345 C500 V501 G502 R611 I614 G615 L618H345-Y504 WeakPolarHBondContact O-CE1 3.43Å; C500-Y504 WeakPolarHBondContact O-CB 3.18Å; C500-Y504 PolarHBondContact O-N 3.47Å; V501-Y504 PolarHBondContact O-N 3.17Å; G502-Y504 VanDerWaalsContact C-N 3.34Å; G502-Y504 PolarHBondContact O-N 3.42Å; Y504-R611 HydrophobicContact CD2-CG 3.91Å; Y504-R611 HydrophobicContact CE2-CG 3.85Å; Y504-R611 PolarHBondContact OH-NH2 3.07Å; Y504-I614 HydrophobicContact CD2-CG2 4.4Å; Y504-G615 VanDerWaalsContact CE2-CA 3.43Å; Y504-L618 HydrophobicContact CG-CD2 4.47Å
505L96.3Very high94.4Very high0 Ų018 Ų180%09%0.094CC..Hα-helixtrans-92.3-15.3-178.1-61.4-177.7000113.8H345 L346 L436 L440 V501 N507 L508H345-L505 HydrophobicContact CB-CD2 3.93Å; L346-L505 HydrophobicContact CD2-CD1 3.95Å; L346-L505 HydrophobicContact CD2-CD2 4.14Å; L346-L505 HydrophobicContact CD2-CG 4.15Å; L346-L505 HydrophobicContact CG-CD1 4.46Å; L436-L505 HydrophobicContact CD1-CB 4.3Å; L436-L505 HydrophobicContact CD2-CB 4.31Å; L440-L505 HydrophobicContact CB-CD1 4.18Å; L440-L505 HydrophobicContact CD1-CD1 3.7Å; V501-L505 HydrophobicContact CG1-CD1 3.69Å; V501-L505 HydrophobicContact CG1-CG 4.22Å; V501-L505 PolarHBondContact O-N 2.72Å; L505-N507 PolarHBondContact O-N 3.15Å; L505-L508 HydrophobicContact CB-CD1 4.25Å; L505-L508 HydrophobicContact CD2-CD1 3.69Å; L505-L508 WeakPolarHBondContact O-CB 3.5Å; L505-L508 WeakPolarHBondContact O-CG 3.18Å; L505-L508 PolarHBondContact O-N 2.87Å
506C95.1Very high94Very high0 Ų023 Ų230%012%0.121CC..THydrogen-bonded Turntrans-61.2-19.6-17167.70000116.1L432 L436 G502 I503 L512 V530L432-C506 HydrophobicContact CD2-CB 3.83Å; L432-C506 HydrophobicContact CG-CB 4.23Å; L436-C506 HydrophobicContact CD1-CB 4.01Å; G502-C506 VanDerWaalsContact O-CB 3.25Å; G502-C506 WeakPolarHBondContact O-CB 3.39Å; G502-C506 PolarHBondContact O-N 3.01Å; G502-C506 VanDerWaalsContact O-N 3.1Å; I503-C506 PolarHBondContact O-SG 3.24Å; C506-L512 WeakPolarHBondContact O-CD2 3.29Å; C506-V530 WeakPolarHBondContact O-CG2 3.09Å
507N93Very high93.5Very high29 Ų2924.2 Ų24.216%0.15513%0.128CC..THydrogen-bonded Turntrans-95.14.6177.3-16255.9000113.8L505 P527 V530 L607L505-N507 PolarHBondContact O-N 3.15Å; N507-P527 WeakPolarHBondContact OD1-CD 3.36Å; N507-V530 HydrophobicContact CB-CG1 3.99Å; N507-V530 HydrophobicContact CB-CG2 4.4Å; N507-L607 HydrophobicContact CB-CD2 4.2Å; N507-L607 WeakPolarHBondContact ND2-CD2 3.4Å
508L92.2Very high92.1Very high23 Ų2328.7 Ų28.712%0.1215%0.151CC..  trans-69.8130.3177.1-69.2179.3000109.9L342 H345 L505 L510 V511 L512L342-L508 HydrophobicContact CD2-CD1 4.16Å; H345-L508 HydrophobicContact CB-CD1 3.9Å; L505-L508 HydrophobicContact CB-CD1 4.25Å; L505-L508 HydrophobicContact CD2-CD1 3.69Å; L505-L508 WeakPolarHBondContact O-CB 3.5Å; L505-L508 WeakPolarHBondContact O-CG 3.18Å; L505-L508 PolarHBondContact O-N 2.87Å; L508-L510 VanDerWaalsContact C-N 3.26Å; L508-L510 PolarHBondContact O-N 3.12Å; L508-V511 HydrophobicContact CB-CB 4.15Å; L508-V511 HydrophobicContact CB-CG2 3.85Å; L508-V511 HydrophobicContact CD1-CG2 4.32Å; L508-V511 WeakPolarHBondContact O-CB 3.42Å; L508-V511 PolarHBondContact O-N 3.3Å; L508-L512 PolarHBondContact O-N 3.44Å
509P90.4Very high90.5Very high95 Ų9532.4 Ų32.462%0.61717%0.174SC*.Hα-helixtrans-53.6-42.6179-29.335.8000113.2V511 L512 E513P509-V511 VanDerWaalsContact C-N 3.29Å; P509-V511 PolarHBondContact O-N 2.97Å; P509-L512 PolarHBondContact O-N 3.22Å; P509-E513 WeakPolarHBondContact O-CB 3.13Å; P509-E513 PolarHBondContact O-N 3.46Å
510L90.6Very high88.8Confident34 Ų3439 Ų3918%0.17821%0.21CC..Hα-helixtrans-60.3-38.7178.2-177.162.4000112.2N338 E341 L342 L508 Q514N338-L510 HydrophobicContact CB-CD2 4.23Å; E341-L510 HydrophobicContact CB-CD2 4.48Å; E341-L510 HydrophobicContact CG-CD2 4.09Å; L342-L510 HydrophobicContact CD2-CB 4.3Å; L342-L510 HydrophobicContact CD2-CD2 3.81Å; L342-L510 HydrophobicContact CD2-CG 4.17Å; L342-L510 HydrophobicContact CG-CD2 4.22Å; L508-L510 VanDerWaalsContact C-N 3.26Å; L508-L510 PolarHBondContact O-N 3.12Å; L510-Q514 VanDerWaalsContact O-CG 3.26Å; L510-Q514 WeakPolarHBondContact O-CG 3.46Å; L510-Q514 PolarHBondContact O-N 2.96Å; L510-Q514 PolarHBondContact O-NE2 3Å
511V92.7Very high87.2Confident0 Ų041 Ų410%022%0.224CC..Hα-helixtrans-67.3-50.1176.9171.80000110.3L342 L432 L436 L508 P509 E513 Q514 F515L342-V511 HydrophobicContact CD1-CG2 4.13Å; L342-V511 HydrophobicContact CD2-CG2 3.49Å; L342-V511 VanDerWaalsContact CD2-CG2 3.49Å; L342-V511 HydrophobicContact CG-CG2 4.45Å; L432-V511 HydrophobicContact CD1-CG1 3.43Å; L432-V511 VanDerWaalsContact CD1-CG1 3.43Å; L436-V511 HydrophobicContact CD1-CG1 4.06Å; L436-V511 HydrophobicContact CD2-CG1 3.9Å; L436-V511 HydrophobicContact CD2-CG2 4.11Å; L436-V511 HydrophobicContact CG-CG1 4.35Å; L508-V511 HydrophobicContact CB-CB 4.15Å; L508-V511 HydrophobicContact CB-CG2 3.85Å; L508-V511 HydrophobicContact CD1-CG2 4.32Å; L508-V511 WeakPolarHBondContact O-CB 3.42Å; L508-V511 PolarHBondContact O-N 3.3Å; P509-V511 VanDerWaalsContact C-N 3.29Å; P509-V511 PolarHBondContact O-N 2.97Å; V511-E513 VanDerWaalsContact C-N 3.26Å; V511-E513 PolarHBondContact O-N 3.43Å; V511-Q514 PolarHBondContact O-N 3.31Å; V511-Q514 VanDerWaalsContact O-N 3.08Å; V511-F515 HydrophobicContact CG1-CD2 4.3Å; V511-F515 HydrophobicContact CG1-CE2 4.39Å; V511-F515 WeakPolarHBondContact O-CD2 3.26Å; V511-F515 PolarHBondContact O-N 2.87Å
512L92.1Very high85.7Confident6 Ų644.3 Ų44.33%0.03125%0.246CC..Hα-helixtrans-59.2-39.5-179.6-66.7172.5000111.7L432 C506 L508 P509 F515 N516 L517 T519 P527 V529 V530L432-L512 HydrophobicContact CD2-CD2 4.34Å; C506-L512 WeakPolarHBondContact O-CD2 3.29Å; L508-L512 PolarHBondContact O-N 3.44Å; P509-L512 PolarHBondContact O-N 3.22Å; L512-F515 PolarHBondContact O-N 3.1Å; L512-N516 PolarHBondContact O-N 3Å; L512-L517 HydrophobicContact CD2-CB 4.13Å; L512-L517 HydrophobicContact CD2-CD1 4.4Å; L512-L517 PolarHBondContact O-N 3.49Å; L512-T519 HydrophobicContact CB-CG2 4.43Å; L512-P527 HydrophobicContact CD1-CG 3.89Å; L512-V529 HydrophobicContact CD2-CG1 4.11Å; L512-V530 HydrophobicContact CD1-CG2 4.44Å; L512-V530 HydrophobicContact CD2-CG2 3.93Å
513E90.1Very high84.2Confident115 Ų11549.9 Ų49.954%0.53728%0.283SS..Hα-helixtrans-59.2-45.2174-174.6178.9-176.200111.9P509 V511 F515 N516 T519P509-E513 WeakPolarHBondContact O-CB 3.13Å; P509-E513 PolarHBondContact O-N 3.46Å; V511-E513 VanDerWaalsContact C-N 3.26Å; V511-E513 PolarHBondContact O-N 3.43Å; E513-F515 VanDerWaalsContact C-N 3.26Å; E513-F515 PolarHBondContact O-N 3.19Å; E513-N516 PolarHBondContact O-N 3.3Å; E513-T519 HydrophobicContact CB-CG2 4.23Å
514Q87Confident82.8Confident16 Ų1657 Ų578%0.07532%0.321CS..Hα-helixtrans-62.9-32.8-178.3-62.3-27.9-52.200113.4R334 L510 V511 N516R334-Q514 HydrophobicContact CB-CB 4.47Å; R334-Q514 HydrophobicContact CB-CG 4.35Å; R334-Q514 VanDerWaalsContact CB-OE1 3.26Å; R334-Q514 PolarHBondContact NH2-O 3.25Å; L510-Q514 VanDerWaalsContact O-CG 3.26Å; L510-Q514 WeakPolarHBondContact O-CG 3.46Å; L510-Q514 PolarHBondContact O-N 2.96Å; L510-Q514 PolarHBondContact O-NE2 3Å; V511-Q514 PolarHBondContact O-N 3.31Å; V511-Q514 VanDerWaalsContact O-N 3.08Å; Q514-N516 VanDerWaalsContact C-N 3.32Å
515F87.7Confident82.1Confident5 Ų557.6 Ų57.62%0.02233%0.329CS..THydrogen-bonded Turntrans-86.41.3177.1-75.3-91.8000113.9F332 L335 L432 V511 L512 E513 L517F332-F515 HydrophobicContact CD1-CE1 4.37Å; F332-F515 HydrophobicContact CD1-CZ 4.3Å; F332-F515 AromaticContact CE1-CE1 3.82Å; F332-F515 HydrophobicContact CE1-CE1 3.82Å; F332-F515 HydrophobicContact CE1-CZ 4.02Å; L335-F515 HydrophobicContact CD1-CE2 4.11Å; L335-F515 HydrophobicContact CD2-CE2 4.1Å; L335-F515 HydrophobicContact CD2-CZ 4.16Å; L432-F515 HydrophobicContact CD1-CD2 3.65Å; L432-F515 HydrophobicContact CD1-CE2 3.8Å; L432-F515 HydrophobicContact CD1-CG 4.17Å; L432-F515 HydrophobicContact CD1-CZ 4.43Å; V511-F515 HydrophobicContact CG1-CD2 4.3Å; V511-F515 HydrophobicContact CG1-CE2 4.39Å; V511-F515 WeakPolarHBondContact O-CD2 3.26Å; V511-F515 PolarHBondContact O-N 2.87Å; L512-F515 PolarHBondContact O-N 3.1Å; E513-F515 VanDerWaalsContact C-N 3.26Å; E513-F515 PolarHBondContact O-N 3.19Å; F515-L517 HydrophobicContact CB-CD1 3.58Å; F515-L517 HydrophobicContact CB-CG 3.67Å; F515-L517 HydrophobicContact CG-CD1 4.38Å; F515-L517 PolarHBondContact O-N 3.04Å
516N87.1Confident81.8Confident122 Ų12258.2 Ų58.265%0.65233%0.333SS*.THydrogen-bonded Turntrans55.835.8-171.6-56.6-42.7000112.7L512 E513 Q514L512-N516 PolarHBondContact O-N 3Å; E513-N516 PolarHBondContact O-N 3.3Å; Q514-N516 VanDerWaalsContact C-N 3.32Å
517L86.2Confident81.7Confident27 Ų2758.4 Ų58.414%0.14133%0.334CS..  trans-95.4155.6178.7-62.1173.3000110L432 L512 F515 T519 V529L432-L517 HydrophobicContact CB-CD1 4.24Å; L432-L517 HydrophobicContact CD2-CD1 4.08Å; L512-L517 HydrophobicContact CD2-CB 4.13Å; L512-L517 HydrophobicContact CD2-CD1 4.4Å; L512-L517 PolarHBondContact O-N 3.49Å; F515-L517 HydrophobicContact CB-CD1 3.58Å; F515-L517 HydrophobicContact CB-CG 3.67Å; F515-L517 HydrophobicContact CG-CD1 4.38Å; F515-L517 PolarHBondContact O-N 3.04Å; L517-T519 WeakPolarHBondContact O-CG2 3.42Å; L517-T519 PolarHBondContact O-N 3.49Å; L517-V529 HydrophobicContact CB-CG1 4.23Å; L517-V529 HydrophobicContact CD1-CG1 4.08Å; L517-V529 HydrophobicContact CD1-CG2 3.94Å; L517-V529 HydrophobicContact CD2-CG2 4.37Å
518N68.4Low81.8Confident93 Ų9360.1 Ų60.150%0.49734%0.343SS..  trans-53.6106.2-167.8-167.30.8000113.1N520N518-N520 WeakPolarHBondContact OD1-CB 3.39Å; N518-N520 PolarHBondContact OD1-N 3.2Å; N518-N520 VanDerWaalsContact OD1-N 3.14Å
519T64.2Low81.9Confident78 Ų7859.3 Ų59.348%0.47934%0.339SS..  trans-88.3-4.7176.855.20000113L512 E513 L517 C521L512-T519 HydrophobicContact CB-CG2 4.43Å; E513-T519 HydrophobicContact CB-CG2 4.23Å; L517-T519 WeakPolarHBondContact O-CG2 3.42Å; L517-T519 PolarHBondContact O-N 3.49Å; T519-C521 PolarHBondContact O-N 3.42Å
520N61.5Low82.1Confident147 Ų14754.8 Ų54.879%0.78631%0.31SS*.  trans-86.918-172.2-65-28.4000113.9N518N518-N520 WeakPolarHBondContact OD1-CB 3.39Å; N518-N520 PolarHBondContact OD1-N 3.2Å; N518-N520 VanDerWaalsContact OD1-N 3.14Å
521C65.3Low82.3Confident44 Ų4453.4 Ų53.430%0.29730%0.302SS..SBendtrans-82.6145.2173.2-73.80000109.9T519 S525 P527T519-C521 PolarHBondContact O-N 3.42Å; C521-S525 VanDerWaalsContact CB-OG 3.28Å; C521-S525 WeakPolarHBondContact CB-OG 3.35Å; C521-P527 HydrophobicContact CB-CG 3.92Å
522S67.8Low82.5Confident68 Ų6853.4 Ų53.448%0.47630%0.302SS..  trans-60.8148.7170.266.20000109.2D524 S525S522-D524 PolarHBondContact O-N 3.29Å; S522-S525 PolarHBondContact N-OG 3.47Å; S522-S525 PolarHBondContact O-N 3.26Å; S522-S525 PolarHBondContact O-OG 2.96Å; S522-S525 VanDerWaalsContact OG-CB 3.3Å; S522-S525 WeakPolarHBondContact OG-CB 3.27Å; S522-S525 PolarHBondContact OG-N 2.78Å; S522-S525 PolarHBondContact OG-OG 3.45Å
523P65.2Low82.7Confident117 Ų11753.3 Ų53.376%0.7630%0.302SS*.THydrogen-bonded Turntrans-53.9-27-179-27.434.6000114.3
524D68.7Low83.1Confident150 Ų15048 Ų4880%0.80228%0.277SS*.THydrogen-bonded Turntrans-92.1-2.8180-56-45.2000113.6S522S522-D524 PolarHBondContact O-N 3.29Å
525S82.8Confident83.6Confident40 Ų4047.3 Ų47.328%0.2827%0.274SS..SBendtrans-99.6145.4176.967.40000110.9C521 S522 P527C521-S525 VanDerWaalsContact CB-OG 3.28Å; C521-S525 WeakPolarHBondContact CB-OG 3.35Å; S522-S525 PolarHBondContact N-OG 3.47Å; S522-S525 PolarHBondContact O-N 3.26Å; S522-S525 PolarHBondContact O-OG 2.96Å; S522-S525 VanDerWaalsContact OG-CB 3.3Å; S522-S525 WeakPolarHBondContact OG-CB 3.27Å; S522-S525 PolarHBondContact OG-N 2.78Å; S522-S525 PolarHBondContact OG-OG 3.45Å; S525-P527 WeakPolarHBondContact O-CD 3.44Å
526V90.8Very high84Confident13 Ų1347.7 Ų47.78%0.07928%0.277CS..  trans-92.4115.8175.5-179.40000108.3V530 R603 L606 L607V526-V530 HydrophobicContact CG1-CB 3.83Å; V526-V530 HydrophobicContact CG1-CG1 3.61Å; V526-R603 HydrophobicContact CB-CG 3.83Å; V526-R603 HydrophobicContact CG1-CG 4.34Å; V526-R603 HydrophobicContact CG2-CG 4.29Å; V526-R603 PolarHBondContact O-NH1 3.16Å; V526-L606 HydrophobicContact CG1-CD1 3.96Å; V526-L606 HydrophobicContact CG2-CB 4.14Å; V526-L606 HydrophobicContact CG2-CD1 4.43Å; V526-L607 HydrophobicContact CG2-CD1 4Å; V526-L607 HydrophobicContact CG2-CD2 4.27Å; V526-L607 HydrophobicContact CG2-CG 3.76Å
527P93Very high84.5Confident4 Ų442.3 Ų42.33%0.02625%0.248CC..  trans-58.6153.8174.2-21.331.7000112N507 L512 C521 S525 V529 V530 Y531N507-P527 WeakPolarHBondContact OD1-CD 3.36Å; L512-P527 HydrophobicContact CD1-CG 3.89Å; C521-P527 HydrophobicContact CB-CG 3.92Å; S525-P527 WeakPolarHBondContact O-CD 3.44Å; P527-V529 HydrophobicContact CB-CG1 4.4Å; P527-V529 PolarHBondContact O-N 3.37Å; P527-V530 HydrophobicContact CB-CB 4.45Å; P527-V530 HydrophobicContact CB-CG2 4.1Å; P527-V530 HydrophobicContact CG-CG2 4.02Å; P527-V530 WeakPolarHBondContact O-CB 3.41Å; P527-V530 PolarHBondContact O-N 3.38Å; P527-Y531 PolarHBondContact O-N 3.46Å
528D93.7Very high85Confident65 Ų6541.1 Ų41.135%0.34824%0.242SC..Hα-helixtrans-59.2-43.1-177-71.9-31000113.7L421 V530 Y531 V532 R603L421-D528 HydrophobicContact CD1-CB 3.76Å; D528-V530 VanDerWaalsContact C-N 3.26Å; D528-V530 PolarHBondContact O-N 2.88Å; D528-Y531 PolarHBondContact O-N 3.08Å; D528-V532 WeakPolarHBondContact O-CB 3.45Å; D528-V532 WeakPolarHBondContact O-CG2 3.18Å; D528-V532 PolarHBondContact O-N 3.01Å; D528-R603 IonicContact OD1-CZ 2.71Å; D528-R603 VanDerWaalsContact OD1-CZ 3.24Å; D528-R603 IonicContact OD1-NH1 3.82Å; D528-R603 PolarHBondContact OD1-NH1 3.02Å; D528-R603 IonicContact OD1-NH2 2.73Å; D528-R603 PolarHBondContact OD1-NH2 2.83Å
529V93.8Very high86.3Confident6 Ų637.6 Ų37.64%0.03622%0.221CC..Hα-helixtrans-61.3-35.5175.868.70000112.5S429 L512 L517 P527 N533S429-V529 WeakPolarHBondContact CB-O 3.46Å; L512-V529 HydrophobicContact CD2-CG1 4.11Å; L517-V529 HydrophobicContact CB-CG1 4.23Å; L517-V529 HydrophobicContact CD1-CG1 4.08Å; L517-V529 HydrophobicContact CD1-CG2 3.94Å; L517-V529 HydrophobicContact CD2-CG2 4.37Å; P527-V529 HydrophobicContact CB-CG1 4.4Å; P527-V529 PolarHBondContact O-N 3.37Å; V529-N533 WeakPolarHBondContact O-CB 3.46Å; V529-N533 PolarHBondContact O-N 3.07Å
530V95.1Very high87.8Confident0 Ų035.2 Ų35.20%021%0.208CC..Hα-helixtrans-69.4-50.4176.7175.70000109C506 N507 L512 V526 P527 D528 V532 N533 W534C506-V530 WeakPolarHBondContact O-CG2 3.09Å; N507-V530 HydrophobicContact CB-CG1 3.99Å; N507-V530 HydrophobicContact CB-CG2 4.4Å; L512-V530 HydrophobicContact CD1-CG2 4.44Å; L512-V530 HydrophobicContact CD2-CG2 3.93Å; V526-V530 HydrophobicContact CG1-CB 3.83Å; V526-V530 HydrophobicContact CG1-CG1 3.61Å; P527-V530 HydrophobicContact CB-CB 4.45Å; P527-V530 HydrophobicContact CB-CG2 4.1Å; P527-V530 HydrophobicContact CG-CG2 4.02Å; P527-V530 WeakPolarHBondContact O-CB 3.41Å; P527-V530 PolarHBondContact O-N 3.38Å; D528-V530 VanDerWaalsContact C-N 3.26Å; D528-V530 PolarHBondContact O-N 2.88Å; V530-V532 VanDerWaalsContact C-N 3.28Å; V530-V532 PolarHBondContact O-N 3.26Å; V530-N533 WeakPolarHBondContact O-CB 3.3Å; V530-N533 PolarHBondContact O-N 3.45Å; V530-W534 VanDerWaalsContact O-CD1 3.23Å; V530-W534 PolarHBondContact O-N 3.33Å
531Y95.9Very high89.5Confident5 Ų528.2 Ų28.22%0.0217%0.171CC..Hα-helixtrans-55.5-44.3176.7173.5-102000112D418 L421 P527 D528 N533 W534 L535 L601 R603 L606D418-Y531 VanDerWaalsContact CG-OH 3.22Å; D418-Y531 VanDerWaalsContact OD1-CE1 3.3Å; D418-Y531 WeakPolarHBondContact OD1-CE1 3.43Å; D418-Y531 PolarHBondContact OD1-OH 3.16Å; D418-Y531 PolarHBondContact OD2-OH 2.84Å; L421-Y531 HydrophobicContact CD2-CD1 3.47Å; L421-Y531 VanDerWaalsContact CD2-CD1 3.47Å; L421-Y531 HydrophobicContact CD2-CE1 3.71Å; P527-Y531 PolarHBondContact O-N 3.46Å; D528-Y531 PolarHBondContact O-N 3.08Å; Y531-N533 VanDerWaalsContact C-N 3.33Å; Y531-N533 PolarHBondContact O-N 2.7Å; Y531-W534 PolarHBondContact O-N 2.58Å; Y531-L535 HydrophobicContact CE1-CD2 3.96Å; Y531-L535 WeakPolarHBondContact O-CB 3.38Å; Y531-L535 PolarHBondContact O-N 3.25Å; Y531-L601 HydrophobicContact CD2-CD2 4.24Å; Y531-L601 HydrophobicContact CE2-CB 4.3Å; Y531-L601 HydrophobicContact CE2-CD2 3.96Å; Y531-L601 HydrophobicContact CE2-CG 4.08Å; Y531-R603 HydrophobicContact CD2-CB 3.68Å; Y531-R603 HydrophobicContact CD2-CG 3.8Å; Y531-R603 HydrophobicContact CE2-CB 3.8Å; Y531-R603 HydrophobicContact CE2-CG 4.42Å; Y531-R603 HydrophobicContact CG-CG 4.41Å; Y531-R603 VanDerWaalsContact CG-CZ 3.45Å; Y531-R603 VanDerWaalsContact CG-NE 3.31Å; Y531-L606 HydrophobicContact CD2-CD1 3.94Å
532V95.6Very high90.9Very high0 Ų026.1 Ų26.10%016%0.156CC..Hα-helixtrans-66.7-32.9177.7173.60000112.1L421 Y422 H425 D528 V530 L535 S536L421-V532 HydrophobicContact CD2-CG2 4.08Å; L421-V532 HydrophobicContact CG-CG2 3.9Å; Y422-V532 HydrophobicContact CD2-CG1 3.92Å; Y422-V532 HydrophobicContact CE2-CG1 4.31Å; Y422-V532 HydrophobicContact CG-CG1 4.45Å; H425-V532 HydrophobicContact CB-CB 4.06Å; H425-V532 HydrophobicContact CB-CG1 4.14Å; H425-V532 HydrophobicContact CB-CG2 4.01Å; D528-V532 WeakPolarHBondContact O-CB 3.45Å; D528-V532 WeakPolarHBondContact O-CG2 3.18Å; D528-V532 PolarHBondContact O-N 3.01Å; V530-V532 VanDerWaalsContact C-N 3.28Å; V530-V532 PolarHBondContact O-N 3.26Å; V532-L535 PolarHBondContact O-N 3.19Å; V532-S536 VanDerWaalsContact O-CB 3.26Å; V532-S536 WeakPolarHBondContact O-CB 3.15Å; V532-S536 PolarHBondContact O-N 2.77Å; V532-S536 PolarHBondContact O-OG 3.3Å
533N96.7Very high92.2Very high5 Ų524.3 Ų24.33%0.02714%0.143CC..Hα-helixtrans-61.6-49.7172.2-168.320.6000111.2Q433 V529 V530 Y531 L535 S536 M537Q433-N533 PolarHBondContact OE1-ND2 2.82Å; Q433-N533 PolarHBondContact OE1-OD1 3.38Å; V529-N533 WeakPolarHBondContact O-CB 3.46Å; V529-N533 PolarHBondContact O-N 3.07Å; V530-N533 WeakPolarHBondContact O-CB 3.3Å; V530-N533 PolarHBondContact O-N 3.45Å; Y531-N533 VanDerWaalsContact C-N 3.33Å; Y531-N533 PolarHBondContact O-N 2.7Å; N533-L535 PolarHBondContact O-N 2.77Å; N533-S536 WeakPolarHBondContact O-CB 3.46Å; N533-S536 PolarHBondContact O-N 2.99Å; N533-M537 PolarHBondContact O-N 3.06Å
534W97.8Very high93.6Very high3 Ų318.9 Ų18.91%0.01111%0.108CC..Hα-helixtrans-62.7-42.9176.6-76.386.5000112.4I503 V530 Y531 S536 M537 V538 L575 L601 L606 R611 I614I503-W534 HydrophobicContact CB-CD2 4.34Å; I503-W534 HydrophobicContact CB-CH2 4.39Å; I503-W534 HydrophobicContact CB-CZ2 4.13Å; I503-W534 HydrophobicContact CD1-CE3 4.43Å; I503-W534 HydrophobicContact CD1-CH2 4.26Å; I503-W534 HydrophobicContact CD1-CZ3 4.04Å; I503-W534 HydrophobicContact CG1-CH2 4.25Å; I503-W534 HydrophobicContact CG1-CZ2 4.41Å; I503-W534 HydrophobicContact CG1-CZ3 4.47Å; I503-W534 WeakPolarHBondContact O-CZ2 3.42Å; I503-W534 PolarHBondContact O-NE1 2.97Å; V530-W534 VanDerWaalsContact O-CD1 3.23Å; V530-W534 PolarHBondContact O-N 3.33Å; Y531-W534 PolarHBondContact O-N 2.58Å; W534-S536 VanDerWaalsContact C-N 3.32Å; W534-S536 PolarHBondContact O-N 2.93Å; W534-M537 WeakPolarHBondContact O-CB 3.37Å; W534-M537 PolarHBondContact O-N 3.31Å; W534-V538 WeakPolarHBondContact O-CG2 3.3Å; W534-V538 PolarHBondContact O-N 2.92Å; W534-L575 HydrophobicContact CE3-CD1 4.32Å; W534-L575 HydrophobicContact CZ3-CD1 4.28Å; W534-L575 HydrophobicContact CZ3-CD2 3.91Å; W534-L601 HydrophobicContact CB-CD2 3.85Å; W534-L606 HydrophobicContact CB-CD1 4.16Å; W534-L606 HydrophobicContact CB-CD2 3.9Å; W534-L606 HydrophobicContact CD2-CD2 3.63Å; W534-L606 HydrophobicContact CE3-CD2 3.7Å; W534-L606 HydrophobicContact CG-CD1 4.15Å; W534-L606 HydrophobicContact CG-CD2 3.73Å; W534-L606 HydrophobicContact CZ3-CD2 4.44Å; W534-R611 HydrophobicContact CZ2-CB 4.4Å; W534-I614 HydrophobicContact CH2-CB 4.31Å; W534-I614 HydrophobicContact CH2-CG1 3.73Å; W534-I614 HydrophobicContact CZ3-CG1 3.8Å
535L97.5Very high94.8Very high1 Ų111.8 Ų11.81%0.0057%0.069CC..Hα-helixtrans-62.8-40176.7-17756.1000111.5I414 D418 Y422 Y531 V532 N533 V538 R539 I599 L601I414-L535 HydrophobicContact CD1-CD1 3.94Å; I414-L535 HydrophobicContact CD1-CD2 4.03Å; I414-L535 HydrophobicContact CD1-CG 3.8Å; I414-L535 HydrophobicContact CG2-CD2 4.43Å; D418-L535 HydrophobicContact CB-CD2 3.96Å; Y422-L535 HydrophobicContact CD2-CD2 4.1Å; Y422-L535 HydrophobicContact CD2-CG 4.31Å; Y531-L535 HydrophobicContact CE1-CD2 3.96Å; Y531-L535 WeakPolarHBondContact O-CB 3.38Å; Y531-L535 PolarHBondContact O-N 3.25Å; V532-L535 PolarHBondContact O-N 3.19Å; N533-L535 PolarHBondContact O-N 2.77Å; L535-V538 PolarHBondContact O-N 3Å; L535-R539 VanDerWaalsContact O-CB 3.27Å; L535-R539 WeakPolarHBondContact O-CB 3.36Å; L535-R539 PolarHBondContact O-N 2.85Å; L535-I599 HydrophobicContact CD1-CG2 4.1Å; L535-L601 HydrophobicContact CB-CD2 3.95Å; L535-L601 HydrophobicContact CD1-CB 4.17Å; L535-L601 HydrophobicContact CD1-CD2 4.41Å
536S96Very high95.2Very high14 Ų1411.8 Ų11.810%0.0987%0.065CC..Hα-helixtrans-63-40.3174.6-65.30000112.1Y422 V532 N533 W534 S540Y422-S536 WeakPolarHBondContact CE2-OG 3.34Å; Y422-S536 PolarHBondContact OH-OG 3.26Å; V532-S536 VanDerWaalsContact O-CB 3.26Å; V532-S536 WeakPolarHBondContact O-CB 3.15Å; V532-S536 PolarHBondContact O-N 2.77Å; V532-S536 PolarHBondContact O-OG 3.3Å; N533-S536 WeakPolarHBondContact O-CB 3.46Å; N533-S536 PolarHBondContact O-N 2.99Å; W534-S536 VanDerWaalsContact C-N 3.32Å; W534-S536 PolarHBondContact O-N 2.93Å; S536-S540 VanDerWaalsContact O-CB 3.26Å; S536-S540 WeakPolarHBondContact O-CB 3.42Å; S536-S540 PolarHBondContact O-N 2.88Å; S536-S540 PolarHBondContact O-OG 2.87Å
537M97.6Very high95.1Very high9 Ų912 Ų124%0.0447%0.065CC..Hα-helixtrans-61.9-50.6175.2-179.556.265.400111.6E499 I503 N533 W534 S540 G541 R568 I571E499-M537 HydrophobicContact CB-CE 3.8Å; E499-M537 HydrophobicContact CG-CE 4.23Å; E499-M537 VanDerWaalsContact OE2-CE 3.3Å; E499-M537 WeakPolarHBondContact OE2-CE 3.44Å; I503-M537 HydrophobicContact CD1-CG 4.17Å; I503-M537 HydrophobicContact CG2-CB 4.18Å; I503-M537 HydrophobicContact CG2-CE 3.93Å; I503-M537 HydrophobicContact CG2-CG 4.26Å; N533-M537 PolarHBondContact O-N 3.06Å; W534-M537 WeakPolarHBondContact O-CB 3.37Å; W534-M537 PolarHBondContact O-N 3.31Å; M537-S540 PolarHBondContact O-N 2.87Å; M537-G541 PolarHBondContact O-N 3.37Å; M537-R568 HydrophobicContact SD-CB 4.25Å; M537-R568 HydrophobicContact SD-CG 3.82Å; M537-I571 HydrophobicContact CE-CD1 4.15Å; M537-I571 HydrophobicContact CG-CB 4.47Å; M537-I571 HydrophobicContact CG-CG2 3.64Å; M537-I571 HydrophobicContact SD-CB 4.29Å; M537-I571 HydrophobicContact SD-CD1 3.7Å; M537-I571 HydrophobicContact SD-CG2 4.05Å
538V97.5Very high94.9Very high1 Ų112.1 Ų12.11%0.0067%0.065CC..Hα-helixtrans-60.2-49178171.80000110.9W534 L535 S540 G541 V542 L572 L575 V583 I599 L601W534-V538 WeakPolarHBondContact O-CG2 3.3Å; W534-V538 PolarHBondContact O-N 2.92Å; L535-V538 PolarHBondContact O-N 3Å; V538-S540 VanDerWaalsContact C-N 3.29Å; V538-S540 PolarHBondContact O-N 3.49Å; V538-G541 PolarHBondContact O-N 2.92Å; V538-G541 VanDerWaalsContact O-N 3.11Å; V538-V542 PolarHBondContact O-N 2.84Å; V538-L572 HydrophobicContact CG1-CD1 3.87Å; V538-L575 HydrophobicContact CG2-CD1 3.79Å; V538-V583 HydrophobicContact CG1-CG1 3.58Å; V538-V583 HydrophobicContact CG2-CG1 4.45Å; V538-V583 HydrophobicContact CG2-CG2 4.06Å; V538-I599 HydrophobicContact CB-CG2 4.47Å; V538-I599 HydrophobicContact CG1-CG2 3.46Å; V538-I599 VanDerWaalsContact CG1-CG2 3.46Å; V538-L601 HydrophobicContact CG2-CD1 4.33Å
539R96.2Very high94.5Very high19 Ų199.8 Ų9.87%0.0725%0.054CC..Hα-helixtrans-56.5-44.9175.6177.9177.1170.2-75.8-15.1111.9K410 E412 I414 L535 G541 V542 T543 I599K410-R539 VanDerWaalsContact CB-NH2 3.3Å; K410-R539 PolarHBondContact O-NE 2.85Å; K410-R539 PolarHBondContact O-NH1 2.84Å; K410-R539 PolarHBondContact O-NH2 3.49Å; E412-R539 WeakPolarHBondContact O-CD 3.41Å; E412-R539 PolarHBondContact O-NE 3.29Å; E412-R539 IonicContact OE2-CZ 3.77Å; E412-R539 IonicContact OE2-NH2 3.72Å; E412-R539 PolarHBondContact OE2-NH2 3.44Å; I414-R539 HydrophobicContact CD1-CB 4.18Å; I414-R539 HydrophobicContact CD1-CG 4.28Å; L535-R539 VanDerWaalsContact O-CB 3.27Å; L535-R539 WeakPolarHBondContact O-CB 3.36Å; L535-R539 PolarHBondContact O-N 2.85Å; R539-G541 VanDerWaalsContact C-N 3.3Å; R539-G541 PolarHBondContact O-N 3.16Å; R539-V542 PolarHBondContact O-N 3.23Å; R539-V542 VanDerWaalsContact O-N 3.16Å; R539-T543 HydrophobicContact CG-CG2 4.31Å; R539-T543 WeakPolarHBondContact O-CG2 3.5Å; R539-T543 PolarHBondContact O-N 3Å; R539-T543 PolarHBondContact O-OG1 3.46Å; R539-I599 VanDerWaalsContact CA-CD1 3.47Å; R539-I599 HydrophobicContact CB-CD1 3.86Å; R539-I599 HydrophobicContact CG-CD1 4.16Å
540S94.9Very high94Very high28 Ų2812 Ų1220%0.1967%0.068CC..Hα-helixtrans-65.6-35.1178.8-56.80000111.8S536 M537 V538 T543 S544S536-S540 VanDerWaalsContact O-CB 3.26Å; S536-S540 WeakPolarHBondContact O-CB 3.42Å; S536-S540 PolarHBondContact O-N 2.88Å; S536-S540 PolarHBondContact O-OG 2.87Å; M537-S540 PolarHBondContact O-N 2.87Å; V538-S540 VanDerWaalsContact C-N 3.29Å; V538-S540 PolarHBondContact O-N 3.49Å; S540-T543 WeakPolarHBondContact CA-OG1 3.37Å; S540-T543 PolarHBondContact O-OG1 3.47Å; S540-S544 WeakPolarHBondContact O-CB 3.25Å; S540-S544 PolarHBondContact O-N 3.01Å; S540-S544 PolarHBondContact O-OG 3.15Å
541G96.6Very high93.3Very high0 Ų014.4 Ų14.40%09%0.085CC..Hα-helixtrans-61.6-40.8171.600000112.7M537 V538 R539 R568M537-G541 PolarHBondContact O-N 3.37Å; V538-G541 PolarHBondContact O-N 2.92Å; V538-G541 VanDerWaalsContact O-N 3.11Å; R539-G541 VanDerWaalsContact C-N 3.3Å; R539-G541 PolarHBondContact O-N 3.16Å; G541-R568 WeakPolarHBondContact CA-O 3.44Å
542V96.7Very high92Very high0 Ų022.2 Ų22.20%012%0.122CC..Hα-helixtrans-66-53.1175.8175.60000111F413 V538 R539 S544 M545 L572 I585 L597 I599 V654F413-V542 HydrophobicContact CD2-CG1 4.08Å; F413-V542 HydrophobicContact CE2-CG1 4.34Å; V538-V542 PolarHBondContact O-N 2.84Å; R539-V542 PolarHBondContact O-N 3.23Å; R539-V542 VanDerWaalsContact O-N 3.16Å; V542-S544 PolarHBondContact O-N 3.39Å; V542-M545 HydrophobicContact CB-CE 4.18Å; V542-M545 HydrophobicContact CG1-CE 3.71Å; V542-M545 WeakPolarHBondContact O-CB 3.35Å; V542-M545 WeakPolarHBondContact O-CE 3.47Å; V542-M545 WeakPolarHBondContact O-CG 3.34Å; V542-M545 PolarHBondContact O-N 2.8Å; V542-L572 HydrophobicContact CG2-CD2 3.94Å; V542-I585 HydrophobicContact CG2-CD1 3.61Å; V542-I585 HydrophobicContact CG2-CG1 3.85Å; V542-L597 HydrophobicContact CG1-CD1 3.94Å; V542-I599 HydrophobicContact CB-CD1 4.01Å; V542-I599 HydrophobicContact CG1-CD1 4.42Å; V542-I599 HydrophobicContact CG2-CD1 3.72Å; V542-I599 HydrophobicContact CG2-CG1 4.16Å; V542-V654 HydrophobicContact CG1-CG2 4Å
543T94.3Very high90.9Very high31 Ų3126.3 Ų26.319%0.1914%0.144CC..Hα-helixtrans-64.3-28-178.260.90000111.9F413 R539 S540 M545 E546 V654F413-T543 HydrophobicContact CD2-CG2 3.9Å; F413-T543 HydrophobicContact CE2-CG2 3.7Å; R539-T543 HydrophobicContact CG-CG2 4.31Å; R539-T543 WeakPolarHBondContact O-CG2 3.5Å; R539-T543 PolarHBondContact O-N 3Å; R539-T543 PolarHBondContact O-OG1 3.46Å; S540-T543 WeakPolarHBondContact CA-OG1 3.37Å; S540-T543 PolarHBondContact O-OG1 3.47Å; T543-M545 PolarHBondContact O-N 2.7Å; T543-E546 WeakPolarHBondContact O-CG 3.48Å; T543-E546 PolarHBondContact O-N 3.3Å; T543-V654 WeakPolarHBondContact O-CG1 3.44Å
544S94.5Very high89.4Confident3 Ų331.5 Ų31.52%0.02119%0.187CC..Hα-helixtrans-62.8-22.2179-71.20000113.7S540 V542 E546 F547 W560 C565S540-S544 WeakPolarHBondContact O-CB 3.25Å; S540-S544 PolarHBondContact O-N 3.01Å; S540-S544 PolarHBondContact O-OG 3.15Å; V542-S544 PolarHBondContact O-N 3.39Å; S544-E546 PolarHBondContact O-N 2.93Å; S544-F547 PolarHBondContact O-N 2.85Å; S544-W560 VanDerWaalsContact O-CZ3 3.23Å; S544-W560 WeakPolarHBondContact O-CZ3 3.39Å; S544-C565 WeakPolarHBondContact CB-O 3.48Å; S544-C565 VanDerWaalsContact OG-CA 3.28Å; S544-C565 WeakPolarHBondContact OG-CA 3.37Å; S544-C565 WeakPolarHBondContact OG-CB 3.48Å; S544-C565 PolarHBondContact OG-SG 2.98Å; S544-C565 VanDerWaalsContact OG-SG 3.33Å
545M94.8Very high87.7Confident0 Ų036.7 Ų36.70%022%0.224CC..G310 helixtrans-53.7-26178.3-69.3-169.7-95.900113.3V542 T543 F547 Y548 Y569 L643 H647 L650 R651 V654V542-M545 HydrophobicContact CB-CE 4.18Å; V542-M545 HydrophobicContact CG1-CE 3.71Å; V542-M545 WeakPolarHBondContact O-CB 3.35Å; V542-M545 WeakPolarHBondContact O-CE 3.47Å; V542-M545 WeakPolarHBondContact O-CG 3.34Å; V542-M545 PolarHBondContact O-N 2.8Å; T543-M545 PolarHBondContact O-N 2.7Å; M545-F547 PolarHBondContact O-N 3.12Å; M545-Y548 PolarHBondContact O-N 3.38Å; M545-Y569 HydrophobicContact CG-CD2 3.8Å; M545-Y569 HydrophobicContact CG-CE2 3.73Å; M545-Y569 HydrophobicContact SD-CE2 4.01Å; M545-L643 HydrophobicContact CB-CD2 4.29Å; M545-L643 HydrophobicContact CG-CD2 4.18Å; M545-L643 HydrophobicContact SD-CD2 4.36Å; M545-H647 HydrophobicContact SD-CB 3.82Å; M545-L650 HydrophobicContact CE-CB 4.02Å; M545-L650 HydrophobicContact SD-CB 4.39Å; M545-R651 HydrophobicContact CB-CB 3.97Å; M545-R651 HydrophobicContact CB-CG 4.07Å; M545-R651 WeakPolarHBondContact O-CD 3.36Å; M545-R651 WeakPolarHBondContact O-CG 3.33Å; M545-R651 PolarHBondContact O-NE 3.24Å; M545-R651 HydrophobicContact SD-CB 4.44Å; M545-V654 HydrophobicContact CE-CG2 4.14Å
546E89.5Confident86.4Confident40 Ų4039.7 Ų39.719%0.18724%0.24CC..G310 helixtrans-60.3-28.6175.376.3178.9159.200113.4T543 S544 R561 V654 I655 K658T543-E546 WeakPolarHBondContact O-CG 3.48Å; T543-E546 PolarHBondContact O-N 3.3Å; S544-E546 PolarHBondContact O-N 2.93Å; E546-R561 PolarHBondContact O-NH2 3.08Å; E546-V654 HydrophobicContact CB-CG1 4.22Å; E546-I655 HydrophobicContact CB-CG1 3.86Å; E546-K658 WeakPolarHBondContact OE2-CB 3.43Å
547F88.5Confident85.4Confident18 Ų1842.3 Ų42.38%0.07925%0.252CS..G310 helixtrans-85.9-5.7-178.4-61.1-77.5000114.2F106 S544 M545 W560 R561 Q562 C565F106-F547 HydrophobicContact CD1-CD1 4.38Å; F106-F547 AromaticContact CD1-CE1 3.43Å; F106-F547 HydrophobicContact CD1-CE1 3.43Å; F106-F547 VanDerWaalsContact CD1-CE1 3.43Å; F106-F547 HydrophobicContact CD1-CE2 4.1Å; F106-F547 AromaticContact CD1-CZ 3.29Å; F106-F547 HydrophobicContact CD1-CZ 3.29Å; F106-F547 HydrophobicContact CE1-CD1 4.3Å; F106-F547 HydrophobicContact CE1-CD2 4.23Å; F106-F547 AromaticContact CE1-CE1 3.62Å; F106-F547 HydrophobicContact CE1-CE1 3.62Å; F106-F547 AromaticContact CE1-CE2 3.52Å; F106-F547 HydrophobicContact CE1-CE2 3.52Å; F106-F547 AromaticContact CE1-CZ 3.21Å; F106-F547 HydrophobicContact CE1-CZ 3.21Å; F106-F547 HydrophobicContact CZ-CZ 4.49Å; S544-F547 PolarHBondContact O-N 2.85Å; M545-F547 PolarHBondContact O-N 3.12Å; F547-W560 HydrophobicContact CB-CE3 4.33Å; F547-W560 HydrophobicContact CB-CZ3 4.49Å; F547-R561 PolarHBondContact O-N 3.15Å; F547-R561 PolarHBondContact O-NH1 3.01Å; F547-Q562 HydrophobicContact CB-CB 4.41Å; F547-Q562 HydrophobicContact CD1-CB 4.35Å; F547-Q562 HydrophobicContact CG-CB 4.35Å; F547-C565 HydrophobicContact CB-CB 4.04Å; F547-C565 HydrophobicContact CD2-CB 3.96Å; F547-C565 WeakPolarHBondContact CD2-SG 3.3Å; F547-C565 HydrophobicContact CG-CB 4.23Å
548Y89.6Confident84.7Confident7 Ų742.5 Ų42.53%0.02726%0.256CS..EExtended strand (participates in β ladder)trans-80.5138.2170.4-177.2-105.9000110.2M545 P550 I557 S559 W560 R561 L643 R651M545-Y548 PolarHBondContact O-N 3.38Å; Y548-P550 HydrophobicContact CD1-CG 4.09Å; Y548-P550 HydrophobicContact CE1-CB 4.18Å; Y548-P550 HydrophobicContact CE1-CG 4.19Å; Y548-I557 PolarHBondContact OH-O 2.75Å; Y548-S559 CarbonylContact C-O 3.55Å; Y548-W560 AromaticContact CD2-CD1 3.9Å; Y548-W560 HydrophobicContact CD2-CD2 4Å; Y548-W560 AromaticContact CD2-CE2 3.6Å; Y548-W560 HydrophobicContact CD2-CG 4.19Å; Y548-W560 HydrophobicContact CD2-CZ2 4.05Å; Y548-W560 AromaticContact CD2-NE1 3.52Å; Y548-W560 AromaticContact CE2-NE1 3.93Å; Y548-W560 HydrophobicContact CG-CZ2 4.45Å; Y548-R561 PolarHBondContact O-NH1 2.83Å; Y548-L643 HydrophobicContact CD1-CB 4.17Å; Y548-L643 HydrophobicContact CD1-CD1 3.86Å; Y548-L643 HydrophobicContact CD1-CD2 3.61Å; Y548-L643 HydrophobicContact CD1-CG 4.07Å; Y548-L643 HydrophobicContact CD2-CD1 3.79Å; Y548-L643 HydrophobicContact CE1-CB 3.83Å; Y548-L643 HydrophobicContact CE1-CD1 4.21Å; Y548-L643 HydrophobicContact CE1-CD2 4.11Å; Y548-L643 HydrophobicContact CE1-CG 4.26Å; Y548-L643 HydrophobicContact CE2-CD1 4.16Å; Y548-L643 HydrophobicContact CG-CD1 3.58Å; Y548-L643 HydrophobicContact CG-CD2 4.05Å; Y548-L643 HydrophobicContact CG-CG 4.29Å; Y548-R651 PolarHBondContact O-NE 3.37Å; Y548-R651 PolarHBondContact O-NH2 2.81Å
549S86.1Confident84.1Confident15 Ų1545.5 Ų45.511%0.10528%0.277CS..EExtended strand (participates in β ladder)trans-105.7110.1168.6-54.50000106.9G558 S559 R561S549-G558 CarbonylContact O-C 3.59Å; S549-G558 WeakPolarHBondContact O-CA 3.15Å; S549-S559 PolarHBondContact N-O 3.28Å; S549-S559 PolarHBondContact O-N 2.89Å; S549-R561 PolarHBondContact OG-NH1 3.3Å
550P82.9Confident83.7Confident52 Ų5246.9 Ų46.934%0.33828%0.283SS..  trans-57.7151.4176.6-23.333.8000112Y548Y548-P550 HydrophobicContact CD1-CG 4.09Å; Y548-P550 HydrophobicContact CE1-CB 4.18Å; Y548-P550 HydrophobicContact CE1-CG 4.19Å
551S79.6Confident83.1Confident51 Ų5148.3 Ų48.336%0.35728%0.284SS..  trans-65.1142.2178.352.70000112.4N553 D556S551-N553 VanDerWaalsContact C-N 3.34Å; S551-D556 WeakPolarHBondContact CA-OD2 3.46Å; S551-D556 VanDerWaalsContact CB-C 3.47Å; S551-D556 WeakPolarHBondContact CB-O 3.4Å; S551-D556 PolarHBondContact OG-O 3.12Å; S551-D556 VanDerWaalsContact OG-O 3.06Å
552E70Confident82.6Confident169 Ų16949.9 Ų49.979%0.7929%0.291SS*.SBendtrans-83.4-15.7176.4-63.9-175.5175.900112.2
553N71.9Confident82.1Confident87 Ų8750.9 Ų50.947%0.46530%0.299SS..SBendtrans-154.2162.1-178.343.859.1000111.5S551 S555 D556S551-N553 VanDerWaalsContact C-N 3.34Å; N553-S555 PolarHBondContact O-N 2.89Å; N553-S555 VanDerWaalsContact O-N 3.12Å; N553-S555 PolarHBondContact OD1-OG 3.46Å; N553-D556 PolarHBondContact O-N 2.97Å; N553-D556 VanDerWaalsContact O-N 3.09Å; N553-D556 WeakPolarHBondContact OD1-CB 3.28Å
554A64.4Low81.9Confident113 Ų11351.5 Ų51.593%0.93430%0.3SS*.THydrogen-bonded Turntrans-65.9-14.9-171.100000115.2
555S61.9Low81.9Confident112 Ų11251.5 Ų51.578%0.78330%0.3SS*.THydrogen-bonded Turntrans-86.4-13.3176.446.40000113.8N553N553-S555 PolarHBondContact O-N 2.89Å; N553-S555 VanDerWaalsContact O-N 3.12Å; N553-S555 PolarHBondContact OD1-OG 3.46Å
556D70.8Confident81.9Confident65 Ų6551.6 Ų51.635%0.34830%0.3SS..  trans-100.5138.6179.6175.821.3000109.4S551 N553 G558S551-D556 WeakPolarHBondContact CA-OD2 3.46Å; S551-D556 VanDerWaalsContact CB-C 3.47Å; S551-D556 WeakPolarHBondContact CB-O 3.4Å; S551-D556 PolarHBondContact OG-O 3.12Å; S551-D556 VanDerWaalsContact OG-O 3.06Å; N553-D556 PolarHBondContact O-N 2.97Å; N553-D556 VanDerWaalsContact O-N 3.09Å; N553-D556 WeakPolarHBondContact OD1-CB 3.28Å; D556-G558 VanDerWaalsContact C-N 3.33Å; D556-G558 PolarHBondContact OD1-N 3.1Å
557I75.2Confident82.3Confident69 Ų6949.7 Ų49.735%0.35429%0.292SS..  trans-934.2177.361.6169000112.1Y548 Q638Y548-I557 PolarHBondContact OH-O 2.75Å; I557-Q638 HydrophobicContact CD1-CB 4.45Å; I557-Q638 HydrophobicContact CD1-CG 4.04Å
558G82.6Confident82.8Confident13 Ų1351 Ų5113%0.13430%0.296CS..  trans81.6175.1-17200000111.7S549 D556S549-G558 CarbonylContact O-C 3.59Å; S549-G558 WeakPolarHBondContact O-CA 3.15Å; D556-G558 VanDerWaalsContact C-N 3.33Å; D556-G558 PolarHBondContact OD1-N 3.1Å
559S84.8Confident83.2Confident64 Ų6450.7 Ų50.745%0.44830%0.295SS..EExtended strand (participates in β ladder)trans-136.1142.7-178.557.90000112.2Y548 S549Y548-S559 CarbonylContact C-O 3.55Å; S549-S559 PolarHBondContact N-O 3.28Å; S549-S559 PolarHBondContact O-N 2.89Å
560W88.3Confident83.7Confident47 Ų4750 Ų5018%0.17829%0.29CS..EExtended strand (participates in β ladder)trans-94131.8172.3-75.693000110S544 F547 Y548 C565 C566 Y569 C641 L643S544-W560 VanDerWaalsContact O-CZ3 3.23Å; S544-W560 WeakPolarHBondContact O-CZ3 3.39Å; F547-W560 HydrophobicContact CB-CE3 4.33Å; F547-W560 HydrophobicContact CB-CZ3 4.49Å; Y548-W560 AromaticContact CD2-CD1 3.9Å; Y548-W560 HydrophobicContact CD2-CD2 4Å; Y548-W560 AromaticContact CD2-CE2 3.6Å; Y548-W560 HydrophobicContact CD2-CG 4.19Å; Y548-W560 HydrophobicContact CD2-CZ2 4.05Å; Y548-W560 AromaticContact CD2-NE1 3.52Å; Y548-W560 AromaticContact CE2-NE1 3.93Å; Y548-W560 HydrophobicContact CG-CZ2 4.45Å; W560-C565 HydrophobicContact CE3-CB 4.22Å; W560-C565 HydrophobicContact CZ3-CB 4.09Å; W560-C566 HydrophobicContact CB-CB 3.83Å; W560-C566 HydrophobicContact CD2-CB 3.67Å; W560-C566 HydrophobicContact CE3-CB 4.05Å; W560-C566 HydrophobicContact CG-CB 3.55Å; W560-Y569 VanDerWaalsContact CH2-CB 3.4Å; W560-Y569 HydrophobicContact CH2-CD1 4.13Å; W560-Y569 HydrophobicContact CH2-CD2 4.15Å; W560-Y569 AromaticContact CH2-CG 3.62Å; W560-Y569 HydrophobicContact CH2-CG 3.62Å; W560-Y569 AromaticContact CZ2-CD1 3.63Å; W560-Y569 HydrophobicContact CZ2-CD1 3.63Å; W560-Y569 HydrophobicContact CZ2-CD2 4.43Å; W560-Y569 HydrophobicContact CZ2-CE1 4.42Å; W560-Y569 AromaticContact CZ2-CG 3.63Å; W560-Y569 HydrophobicContact CZ2-CG 3.63Å; W560-C641 WeakPolarHBondContact CZ2-O 3.25Å; W560-C641 PolarHBondContact NE1-O 2.92Å; W560-L643 HydrophobicContact CH2-CD1 3.82Å; W560-L643 HydrophobicContact CZ2-CD1 3.34Å
561R82.2Confident84.5Confident58 Ų5847.5 Ų47.522%0.21927%0.274CS..SBendtrans-88.5-4.8177-58.7-169.1-57.7-72.2-3.1113.6E546 F547 Y548 S549E546-R561 PolarHBondContact O-NH2 3.08Å; F547-R561 PolarHBondContact O-N 3.15Å; F547-R561 PolarHBondContact O-NH1 3.01Å; Y548-R561 PolarHBondContact O-NH1 2.83Å; S549-R561 PolarHBondContact OG-NH1 3.3Å
562Q85.4Confident85.3Confident34 Ų3445.2 Ų45.216%0.15926%0.257CS..  trans-150.7128.5179.4-154.3-78.9-18.200111.6F106 F547 H564 C565 C566F106-Q562 HydrophobicContact CD2-CG 3.96Å; F106-Q562 HydrophobicContact CE1-CG 4.23Å; F106-Q562 VanDerWaalsContact CE2-CD 3.41Å; F106-Q562 HydrophobicContact CE2-CG 3.41Å; F106-Q562 VanDerWaalsContact CE2-CG 3.41Å; F106-Q562 HydrophobicContact CZ-CB 4.37Å; F106-Q562 HydrophobicContact CZ-CG 3.55Å; F547-Q562 HydrophobicContact CB-CB 4.41Å; F547-Q562 HydrophobicContact CD1-CB 4.35Å; F547-Q562 HydrophobicContact CG-CB 4.35Å; Q562-H564 PolarHBondContact NE2-ND1 3.25Å; Q562-H564 VanDerWaalsContact NE2-ND1 3.19Å; Q562-H564 VanDerWaalsContact OE1-CA 3.27Å; Q562-H564 VanDerWaalsContact OE1-CB 3.26Å; Q562-C565 HydrophobicContact CB-CB 4.11Å; Q562-C565 PolarHBondContact O-N 3.08Å; Q562-C565 PolarHBondContact OE1-SG 2.83Å; Q562-C566 PolarHBondContact O-N 2.68Å; Q562-C566 VanDerWaalsContact O-N 3.08Å
563A86.7Confident86.6Confident21 Ų2137.9 Ų37.917%0.17422%0.223CC..Hα-helixtrans-64.7-45.5-171.200000114A492 E495 C565 C566 A567A492-A563 HydrophobicContact CB-CB 4.21Å; E495-A563 HydrophobicContact CG-CB 4.37Å; A563-C565 VanDerWaalsContact C-N 3.31Å; A563-C565 PolarHBondContact O-N 2.74Å; A563-C566 WeakPolarHBondContact O-CB 3.35Å; A563-C566 PolarHBondContact O-N 2.77Å; A563-A567 WeakPolarHBondContact O-CB 3.41Å; A563-A567 PolarHBondContact O-N 3.07Å
564H90.8Very high87.9Confident43 Ų4334.1 Ų34.120%0.19920%0.203CC..Hα-helixtrans-66.2-33.5177.9-57.949.6000112E495 Q562 A567 R568E495-H564 IonicContact OE1-CE1 2.66Å; E495-H564 PolarHBondContact OE1-CE1 3.49Å; E495-H564 IonicContact OE1-ND1 3.88Å; E495-H564 IonicContact OE1-NE2 2.88Å; E495-H564 IonicContact OE2-CD2 2.67Å; E495-H564 IonicContact OE2-CE1 2.73Å; E495-H564 PolarHBondContact OE2-CE1 2.9Å; E495-H564 IonicContact OE2-CG 3.55Å; E495-H564 IonicContact OE2-ND1 3.69Å; E495-H564 IonicContact OE2-NE2 3.69Å; E495-H564 PolarHBondContact OE2-NE2 2.49Å; Q562-H564 PolarHBondContact NE2-ND1 3.25Å; Q562-H564 VanDerWaalsContact NE2-ND1 3.19Å; Q562-H564 VanDerWaalsContact OE1-CA 3.27Å; Q562-H564 VanDerWaalsContact OE1-CB 3.26Å; H564-A567 WeakPolarHBondContact O-CB 3.31Å; H564-A567 PolarHBondContact O-N 3.1Å; H564-R568 WeakPolarHBondContact O-CB 3.35Å; H564-R568 VanDerWaalsContact O-CD 3.29Å; H564-R568 WeakPolarHBondContact O-CD 3.16Å; H564-R568 WeakPolarHBondContact O-CG 3.46Å; H564-R568 PolarHBondContact O-N 2.89Å
565C93.9Very high89.5Confident3 Ų328.8 Ų28.82%0.0216%0.158CC..Hα-helixtrans-67.8-42.9176.6-75.30000111.1S544 F547 W560 Q562 A563 A567 R568 Y569S544-C565 WeakPolarHBondContact CB-O 3.48Å; S544-C565 VanDerWaalsContact OG-CA 3.28Å; S544-C565 WeakPolarHBondContact OG-CA 3.37Å; S544-C565 WeakPolarHBondContact OG-CB 3.48Å; S544-C565 PolarHBondContact OG-SG 2.98Å; S544-C565 VanDerWaalsContact OG-SG 3.33Å; F547-C565 HydrophobicContact CB-CB 4.04Å; F547-C565 HydrophobicContact CD2-CB 3.96Å; F547-C565 WeakPolarHBondContact CD2-SG 3.3Å; F547-C565 HydrophobicContact CG-CB 4.23Å; W560-C565 HydrophobicContact CE3-CB 4.22Å; W560-C565 HydrophobicContact CZ3-CB 4.09Å; Q562-C565 HydrophobicContact CB-CB 4.11Å; Q562-C565 PolarHBondContact O-N 3.08Å; Q562-C565 PolarHBondContact OE1-SG 2.83Å; A563-C565 VanDerWaalsContact C-N 3.31Å; A563-C565 PolarHBondContact O-N 2.74Å; C565-A567 VanDerWaalsContact C-N 3.35Å; C565-R568 PolarHBondContact O-N 2.66Å; C565-Y569 WeakPolarHBondContact O-CB 3.47Å; C565-Y569 PolarHBondContact O-N 3.11Å
566C95.2Very high91.2Very high2 Ų225.2 Ų25.21%0.01413%0.13CC..Hα-helixtrans-57-49.2170.5-176.10000111A492 W560 Q562 A563 Y569 A570 C641A492-C566 HydrophobicContact CB-CB 4Å; W560-C566 HydrophobicContact CB-CB 3.83Å; W560-C566 HydrophobicContact CD2-CB 3.67Å; W560-C566 HydrophobicContact CE3-CB 4.05Å; W560-C566 HydrophobicContact CG-CB 3.55Å; Q562-C566 PolarHBondContact O-N 2.68Å; Q562-C566 VanDerWaalsContact O-N 3.08Å; A563-C566 WeakPolarHBondContact O-CB 3.35Å; A563-C566 PolarHBondContact O-N 2.77Å; C566-Y569 PolarHBondContact O-N 3.26Å; C566-A570 PolarHBondContact O-N 3.01Å; C566-C641 WeakPolarHBondContact SG-CB 3.29Å
567A97.4Very high92.4Very high0 Ų027.1 Ų27.10%014%0.137CC..Hα-helixtrans-56.6-50.917700000113.5E495 C496 A563 H564 C565 Y569 A570 I571E495-A567 HydrophobicContact CB-CB 3.99Å; C496-A567 VanDerWaalsContact CA-CB 3.45Å; C496-A567 HydrophobicContact CB-CB 3.53Å; C496-A567 PolarHBondContact SG-O 2.93Å; A563-A567 WeakPolarHBondContact O-CB 3.41Å; A563-A567 PolarHBondContact O-N 3.07Å; H564-A567 WeakPolarHBondContact O-CB 3.31Å; H564-A567 PolarHBondContact O-N 3.1Å; C565-A567 VanDerWaalsContact C-N 3.35Å; A567-Y569 VanDerWaalsContact C-N 3.33Å; A567-Y569 PolarHBondContact O-N 3.16Å; A567-A570 WeakPolarHBondContact O-CB 3.38Å; A567-A570 PolarHBondContact O-N 3.15Å; A567-I571 WeakPolarHBondContact O-CG1 3.48Å; A567-I571 PolarHBondContact O-N 3.1Å
568R98.2Very high93.4Very high47 Ų4726 Ų2618%0.17714%0.138CC..Hα-helixtrans-66.7-34.5-178.3-69160-179.9159.44.1112.2E499 M537 G541 H564 C565 I571 L572E499-R568 IonicContact OE1-CZ 3.69Å; E499-R568 IonicContact OE1-NE 2.73Å; E499-R568 PolarHBondContact OE1-NE 3.4Å; E499-R568 IonicContact OE1-NH2 3.8Å; E499-R568 PolarHBondContact OE1-NH2 3Å; M537-R568 HydrophobicContact SD-CB 4.25Å; M537-R568 HydrophobicContact SD-CG 3.82Å; G541-R568 WeakPolarHBondContact CA-O 3.44Å; H564-R568 WeakPolarHBondContact O-CB 3.35Å; H564-R568 VanDerWaalsContact O-CD 3.29Å; H564-R568 WeakPolarHBondContact O-CD 3.16Å; H564-R568 WeakPolarHBondContact O-CG 3.46Å; H564-R568 PolarHBondContact O-N 2.89Å; C565-R568 PolarHBondContact O-N 2.66Å; R568-I571 PolarHBondContact O-N 2.87Å; R568-L572 PolarHBondContact O-N 3.07Å
569Y98Very high94Very high0 Ų027.2 Ų27.20%014%0.141CC..Hα-helixtrans-67.9-40.5172.4-176.5-93.3000112.1M545 W560 C565 C566 A567 I571 L572 R573 L643 L644 H647M545-Y569 HydrophobicContact CG-CD2 3.8Å; M545-Y569 HydrophobicContact CG-CE2 3.73Å; M545-Y569 HydrophobicContact SD-CE2 4.01Å; W560-Y569 VanDerWaalsContact CH2-CB 3.4Å; W560-Y569 HydrophobicContact CH2-CD1 4.13Å; W560-Y569 HydrophobicContact CH2-CD2 4.15Å; W560-Y569 AromaticContact CH2-CG 3.62Å; W560-Y569 HydrophobicContact CH2-CG 3.62Å; W560-Y569 AromaticContact CZ2-CD1 3.63Å; W560-Y569 HydrophobicContact CZ2-CD1 3.63Å; W560-Y569 HydrophobicContact CZ2-CD2 4.43Å; W560-Y569 HydrophobicContact CZ2-CE1 4.42Å; W560-Y569 AromaticContact CZ2-CG 3.63Å; W560-Y569 HydrophobicContact CZ2-CG 3.63Å; C565-Y569 WeakPolarHBondContact O-CB 3.47Å; C565-Y569 PolarHBondContact O-N 3.11Å; C566-Y569 PolarHBondContact O-N 3.26Å; A567-Y569 VanDerWaalsContact C-N 3.33Å; A567-Y569 PolarHBondContact O-N 3.16Å; Y569-I571 VanDerWaalsContact C-N 3.31Å; Y569-I571 PolarHBondContact O-N 2.88Å; Y569-L572 HydrophobicContact CD2-CD2 4.2Å; Y569-L572 HydrophobicContact CE2-CD2 4.36Å; Y569-L572 WeakPolarHBondContact O-CB 3.4Å; Y569-L572 PolarHBondContact O-N 2.91Å; Y569-R573 HydrophobicContact CD1-CG 4Å; Y569-R573 HydrophobicContact CE1-CG 3.48Å; Y569-R573 VanDerWaalsContact CE1-CG 3.48Å; Y569-R573 WeakPolarHBondContact O-CG 3.32Å; Y569-R573 PolarHBondContact O-N 3.42Å; Y569-L643 HydrophobicContact CD1-CD1 4.04Å; Y569-L643 HydrophobicContact CD2-CD1 4.29Å; Y569-L643 HydrophobicContact CE1-CD1 3.7Å; Y569-L643 HydrophobicContact CE1-CG 4.18Å; Y569-L643 HydrophobicContact CE2-CD1 3.96Å; Y569-L643 HydrophobicContact CE2-CG 4.01Å; Y569-L643 HydrophobicContact CG-CD1 4.32Å; Y569-L643 VanDerWaalsContact OH-CA 3.29Å; Y569-L643 WeakPolarHBondContact OH-CA 3.29Å; Y569-L644 PolarHBondContact OH-N 2.71Å; Y569-H647 HydrophobicContact CE2-CB 4.47Å; Y569-H647 AromaticContact CE2-ND1 3.83Å; Y569-H647 AromaticContact CZ-ND1 3.65Å; Y569-H647 WeakPolarHBondContact OH-CB 3.39Å; Y569-H647 PolarHBondContact OH-ND1 2.69Å
570A98Very high94.3Very high0 Ų029.9 Ų29.90%015%0.15CC..Hα-helixtrans-59.8-42.9173.900000111.4C566 A567 R573 V574 F637 C641C566-A570 PolarHBondContact O-N 3.01Å; A567-A570 WeakPolarHBondContact O-CB 3.38Å; A567-A570 PolarHBondContact O-N 3.15Å; A570-R573 WeakPolarHBondContact O-CB 3.44Å; A570-R573 PolarHBondContact O-N 3.5Å; A570-V574 WeakPolarHBondContact O-CG2 3.47Å; A570-V574 PolarHBondContact O-N 3.37Å; A570-F637 HydrophobicContact CB-CE2 3.9Å; A570-F637 HydrophobicContact CB-CZ 4.2Å; A570-C641 HydrophobicContact CB-CB 4.49Å
571I98.4Very high94.6Very high0 Ų029.5 Ų29.50%016%0.155CC..Hα-helixtrans-60.3-47.1174.7-66.8167.8000111.3E499 I503 M537 A567 R568 Y569 R573 V574 L575 I614E499-I571 HydrophobicContact CB-CD1 3.59Å; I503-I571 HydrophobicContact CD1-CG2 3.78Å; M537-I571 HydrophobicContact CE-CD1 4.15Å; M537-I571 HydrophobicContact CG-CB 4.47Å; M537-I571 HydrophobicContact CG-CG2 3.64Å; M537-I571 HydrophobicContact SD-CB 4.29Å; M537-I571 HydrophobicContact SD-CD1 3.7Å; M537-I571 HydrophobicContact SD-CG2 4.05Å; A567-I571 WeakPolarHBondContact O-CG1 3.48Å; A567-I571 PolarHBondContact O-N 3.1Å; R568-I571 PolarHBondContact O-N 2.87Å; Y569-I571 VanDerWaalsContact C-N 3.31Å; Y569-I571 PolarHBondContact O-N 2.88Å; I571-R573 VanDerWaalsContact C-N 3.27Å; I571-R573 PolarHBondContact O-N 2.88Å; I571-V574 WeakPolarHBondContact O-CB 3.25Å; I571-V574 PolarHBondContact O-N 3.11Å; I571-L575 HydrophobicContact CG2-CD1 4.47Å; I571-L575 WeakPolarHBondContact O-CG 3.33Å; I571-L575 PolarHBondContact O-N 2.58Å; I571-L575 VanDerWaalsContact O-N 3.11Å; I571-I614 HydrophobicContact CG2-CD1 3.92Å
572L98Very high95.4Very high2 Ų226.7 Ų26.71%0.0114%0.144CC..Hα-helixtrans-54.8-44.5174.3170.668.4000111.6V538 V542 R568 Y569 L575 I576 V583 I585V538-L572 HydrophobicContact CG1-CD1 3.87Å; V542-L572 HydrophobicContact CG2-CD2 3.94Å; R568-L572 PolarHBondContact O-N 3.07Å; Y569-L572 HydrophobicContact CD2-CD2 4.2Å; Y569-L572 HydrophobicContact CE2-CD2 4.36Å; Y569-L572 WeakPolarHBondContact O-CB 3.4Å; Y569-L572 PolarHBondContact O-N 2.91Å; L572-L575 PolarHBondContact O-N 2.89Å; L572-I576 HydrophobicContact CD1-CD1 3.86Å; L572-I576 HydrophobicContact CD1-CG1 4.26Å; L572-I576 HydrophobicContact CD2-CD1 4.5Å; L572-I576 HydrophobicContact CG-CD1 3.84Å; L572-I576 WeakPolarHBondContact O-CG1 3.19Å; L572-I576 PolarHBondContact O-N 3.17Å; L572-V583 HydrophobicContact CD1-CG1 3.93Å; L572-I585 HydrophobicContact CD1-CD1 4.46Å; L572-I585 HydrophobicContact CD2-CD1 4.13Å
573R97.5Very high95.9Very high16 Ų1625.2 Ų25.26%0.0614%0.138CC..Hα-helixtrans-64.8-38.7179.2-78.5-69.6-55.6-75.9-7.8112.9Y569 A570 I571 L575 I576 E577 Y640 Q642 L644Y569-R573 HydrophobicContact CD1-CG 4Å; Y569-R573 HydrophobicContact CE1-CG 3.48Å; Y569-R573 VanDerWaalsContact CE1-CG 3.48Å; Y569-R573 WeakPolarHBondContact O-CG 3.32Å; Y569-R573 PolarHBondContact O-N 3.42Å; A570-R573 WeakPolarHBondContact O-CB 3.44Å; A570-R573 PolarHBondContact O-N 3.5Å; I571-R573 VanDerWaalsContact C-N 3.27Å; I571-R573 PolarHBondContact O-N 2.88Å; R573-L575 VanDerWaalsContact C-N 3.31Å; R573-L575 PolarHBondContact O-N 3.05Å; R573-I576 PolarHBondContact O-N 3.34Å; R573-E577 VanDerWaalsContact O-CB 3.3Å; R573-E577 WeakPolarHBondContact O-CB 3.32Å; R573-E577 PolarHBondContact O-N 3.12Å; R573-Y640 HydrophobicContact CB-CD1 4.07Å; R573-Y640 WeakPolarHBondContact CG-O 3.44Å; R573-Q642 PolarHBondContact NH1-O 2.75Å; R573-L644 VanDerWaalsContact NH1-CD2 3.33Å; R573-L644 VanDerWaalsContact NH1-CG 3.31Å
574V98.1Very high96.3Very high8 Ų828.8 Ų28.85%0.04815%0.147CC..Hα-helixtrans-60-42.4172.9172.60000111A570 I571 E577 A578 A613 I614 F617 Y640A570-V574 WeakPolarHBondContact O-CG2 3.47Å; A570-V574 PolarHBondContact O-N 3.37Å; I571-V574 WeakPolarHBondContact O-CB 3.25Å; I571-V574 PolarHBondContact O-N 3.11Å; V574-E577 PolarHBondContact O-N 3.34Å; V574-A578 WeakPolarHBondContact O-CB 3.43Å; V574-A578 PolarHBondContact O-N 3.3Å; V574-A613 HydrophobicContact CG1-CB 4.23Å; V574-I614 HydrophobicContact CB-CD1 4.43Å; V574-I614 HydrophobicContact CG1-CD1 4Å; V574-F617 HydrophobicContact CG1-CB 3.99Å; V574-F617 HydrophobicContact CG1-CG 4.26Å; V574-F617 HydrophobicContact CG2-CB 4.19Å; V574-F617 HydrophobicContact CG2-CD1 3.83Å; V574-F617 HydrophobicContact CG2-CD2 3.51Å; V574-F617 HydrophobicContact CG2-CE1 3.97Å; V574-F617 HydrophobicContact CG2-CE2 3.72Å; V574-F617 HydrophobicContact CG2-CG 3.58Å; V574-F617 HydrophobicContact CG2-CZ 3.93Å; V574-Y640 HydrophobicContact CB-CE1 4.49Å; V574-Y640 HydrophobicContact CG2-CD1 3.59Å; V574-Y640 HydrophobicContact CG2-CE1 3.7Å; V574-Y640 HydrophobicContact CG2-CG 4.05Å
575L98.1Very high96.5Very high0 Ų028 Ų280%014%0.144CC..Hα-helixtrans-69.6-40.2179.8-63178000113W534 V538 I571 L572 R573 A578 D579 L582 V583 I614W534-L575 HydrophobicContact CE3-CD1 4.32Å; W534-L575 HydrophobicContact CZ3-CD1 4.28Å; W534-L575 HydrophobicContact CZ3-CD2 3.91Å; V538-L575 HydrophobicContact CG2-CD1 3.79Å; I571-L575 HydrophobicContact CG2-CD1 4.47Å; I571-L575 WeakPolarHBondContact O-CG 3.33Å; I571-L575 PolarHBondContact O-N 2.58Å; I571-L575 VanDerWaalsContact O-N 3.11Å; L572-L575 PolarHBondContact O-N 2.89Å; R573-L575 VanDerWaalsContact C-N 3.31Å; R573-L575 PolarHBondContact O-N 3.05Å; L575-A578 PolarHBondContact O-N 3.18Å; L575-D579 PolarHBondContact O-N 2.96Å; L575-L582 HydrophobicContact CB-CD2 4.37Å; L575-L582 HydrophobicContact CD2-CD2 4.05Å; L575-V583 HydrophobicContact CB-CG2 3.86Å; L575-V583 HydrophobicContact CD1-CG2 4.28Å; L575-I614 HydrophobicContact CD2-CD1 3.9Å; L575-I614 HydrophobicContact CD2-CG1 3.91Å; L575-I614 HydrophobicContact CG-CD1 4.3Å
576I96.6Very high96.6Very high37 Ų3730.6 Ų30.619%0.1916%0.157CC..Hα-helixtrans-64.8-42175.6-69169.2000110.8L572 R573 A578 D579 V583 I585L572-I576 HydrophobicContact CD1-CD1 3.86Å; L572-I576 HydrophobicContact CD1-CG1 4.26Å; L572-I576 HydrophobicContact CD2-CD1 4.5Å; L572-I576 HydrophobicContact CG-CD1 3.84Å; L572-I576 WeakPolarHBondContact O-CG1 3.19Å; L572-I576 PolarHBondContact O-N 3.17Å; R573-I576 PolarHBondContact O-N 3.34Å; I576-A578 VanDerWaalsContact C-N 3.33Å; I576-D579 CarbonylContact O-C 3.58Å; I576-V583 HydrophobicContact CG1-CB 4.35Å; I576-V583 HydrophobicContact CG1-CG1 4.37Å; I576-I585 HydrophobicContact CD1-CD1 4.34Å
577E96.3Very high96.6Very high106 Ų10636.7 Ų36.750%0.49519%0.186SC..Hα-helixtrans-67.1-33.6178.9-176174.9112.300112.5R573 V574 H639 Y640R573-E577 VanDerWaalsContact O-CB 3.3Å; R573-E577 WeakPolarHBondContact O-CB 3.32Å; R573-E577 PolarHBondContact O-N 3.12Å; V574-E577 PolarHBondContact O-N 3.34Å; E577-H639 IonicContact OE2-NE2 3.01Å; E577-Y640 PolarHBondContact OE1-OH 2.74Å; E577-Y640 WeakPolarHBondContact OE2-CE1 3.44Å
578A97Very high96.5Very high44 Ų4440 Ų4036%0.36420%0.202SC..Hα-helixtrans-65.3-46.2179.800000113V574 L575 I576 V609 A613V574-A578 WeakPolarHBondContact O-CB 3.43Å; V574-A578 PolarHBondContact O-N 3.3Å; L575-A578 PolarHBondContact O-N 3.18Å; I576-A578 VanDerWaalsContact C-N 3.33Å; A578-V609 HydrophobicContact CB-CG1 4.06Å; A578-A613 HydrophobicContact CB-CB 3.51Å
579D96.1Very high96.4Very high39 Ų3942.8 Ų42.821%0.20923%0.225CC..  trans-163.8118.6174.8-176.1-14.8000109.2L575 I576 S581 L582 K605 V609L575-D579 PolarHBondContact O-N 2.96Å; I576-D579 CarbonylContact O-C 3.58Å; D579-S581 PolarHBondContact O-N 3.3Å; D579-S581 WeakPolarHBondContact OD1-CB 3.36Å; D579-S581 PolarHBondContact OD1-N 3.37Å; D579-S581 PolarHBondContact OD1-OG 3.28Å; D579-S581 PolarHBondContact OD2-OG 3.09Å; D579-L582 HydrophobicContact CB-CB 4.14Å; D579-L582 WeakPolarHBondContact O-CB 3.45Å; D579-L582 PolarHBondContact O-N 3.38Å; D579-K605 IonicContact OD2-NZ 3.64Å; D579-K605 PolarHBondContact OD2-NZ 2.93Å; D579-V609 HydrophobicContact CB-CG1 3.7Å
580N90.3Very high96Very high120 Ų12043.2 Ų43.264%0.64223%0.229SC*.THydrogen-bonded Turntrans-65.1-9.3179.369.7-4.5000114R584N580-R584 WeakPolarHBondContact O-CD 3.3Å; N580-R584 WeakPolarHBondContact O-CG 3.29Å
581S95.2Very high95.6Very high39 Ų3951.5 Ų51.527%0.27327%0.273SS..THydrogen-bonded Turntrans-98.8-5.1172.9650000113.6D579 K605D579-S581 PolarHBondContact O-N 3.3Å; D579-S581 WeakPolarHBondContact OD1-CB 3.36Å; D579-S581 PolarHBondContact OD1-N 3.37Å; D579-S581 PolarHBondContact OD1-OG 3.28Å; D579-S581 PolarHBondContact OD2-OG 3.09Å; S581-K605 PolarHBondContact OG-NZ 3.47Å
582L97.3Very high95.2Very high0 Ų056.6 Ų56.60%030%0.301CS..THydrogen-bonded Turntrans-74.9-48.7168.4172.965.8000111L575 D579 L601 D602 K605 L606 V609L575-L582 HydrophobicContact CB-CD2 4.37Å; L575-L582 HydrophobicContact CD2-CD2 4.05Å; D579-L582 HydrophobicContact CB-CB 4.14Å; D579-L582 WeakPolarHBondContact O-CB 3.45Å; D579-L582 PolarHBondContact O-N 3.38Å; L582-L601 HydrophobicContact CD1-CD1 4.32Å; L582-L601 WeakPolarHBondContact O-CA 3.29Å; L582-D602 PolarHBondContact O-N 3.15Å; L582-K605 HydrophobicContact CD1-CB 3.52Å; L582-L606 HydrophobicContact CD1-CD2 4.36Å; L582-V609 HydrophobicContact CD2-CB 4.41Å; L582-V609 HydrophobicContact CD2-CG1 4.12Å
583V96.7Very high95.1Very high3 Ų359.3 Ų59.32%0.01833%0.329CS..EExtended strand (participates in β ladder)trans-129.5130.5179.3-178.40000110.1V538 L572 L575 I576 F600 L601V538-V583 HydrophobicContact CG1-CG1 3.58Å; V538-V583 HydrophobicContact CG2-CG1 4.45Å; V538-V583 HydrophobicContact CG2-CG2 4.06Å; L572-V583 HydrophobicContact CD1-CG1 3.93Å; L575-V583 HydrophobicContact CB-CG2 3.86Å; L575-V583 HydrophobicContact CD1-CG2 4.28Å; I576-V583 HydrophobicContact CG1-CB 4.35Å; I576-V583 HydrophobicContact CG1-CG1 4.37Å; V583-F600 WeakPolarHBondContact CA-O 3.47Å; V583-L601 HydrophobicContact CG2-CD1 3.73Å
584R94.7Very high94.9Very high95 Ų9560.3 Ų60.336%0.35834%0.341SS..EExtended strand (participates in β ladder)trans-133.6147170.5-61.3-177.4-60.9101.28110.9N580 D586 F600N580-R584 WeakPolarHBondContact O-CD 3.3Å; N580-R584 WeakPolarHBondContact O-CG 3.29Å; R584-D586 IonicContact CZ-OD2 3.96Å; R584-D586 IonicContact NH1-OD1 2.72Å; R584-D586 PolarHBondContact NH1-OD1 3.13Å; R584-D586 IonicContact NH1-OD2 3.04Å; R584-D586 PolarHBondContact NH1-OD2 2.92Å; R584-D586 IonicContact NH2-OD2 3.61Å; R584-F600 HydrophobicContact CB-CB 4.23Å; R584-F600 PolarHBondContact N-O 3.15Å; R584-F600 PolarHBondContact O-N 3.12Å
585I96.2Very high94.8Very high27 Ų2763.1 Ų63.114%0.13836%0.359CS..EExtended strand (participates in β ladder)trans-118.2106173.6-51.3159.7000106V542 L572 I576 L597 L650V542-I585 HydrophobicContact CG2-CD1 3.61Å; V542-I585 HydrophobicContact CG2-CG1 3.85Å; L572-I585 HydrophobicContact CD1-CD1 4.46Å; L572-I585 HydrophobicContact CD2-CD1 4.13Å; I576-I585 HydrophobicContact CD1-CD1 4.34Å; I585-L597 HydrophobicContact CG2-CB 4.33Å; I585-L597 HydrophobicContact CG2-CD1 4.2Å; I585-L597 HydrophobicContact CG2-CD2 4.37Å; I585-L650 HydrophobicContact CB-CD1 4.09Å; I585-L650 HydrophobicContact CD1-CD1 4.25Å; I585-L650 HydrophobicContact CG2-CD1 3.81Å
586D94.9Very high94.6Very high58 Ų5864.6 Ų64.631%0.3137%0.367SS..EExtended strand (participates in β ladder)trans-98.8133.3-177.3-61.6-43.2000109.3R584 L597 T598R584-D586 IonicContact CZ-OD2 3.96Å; R584-D586 IonicContact NH1-OD1 2.72Å; R584-D586 PolarHBondContact NH1-OD1 3.13Å; R584-D586 IonicContact NH1-OD2 3.04Å; R584-D586 PolarHBondContact NH1-OD2 2.92Å; R584-D586 IonicContact NH2-OD2 3.61Å; D586-L597 CarbonylContact O-C 3.54Å; D586-L597 WeakPolarHBondContact O-CA 3.27Å; D586-T598 HydrophobicContact CB-CG2 3.86Å; D586-T598 PolarHBondContact N-O 2.82Å; D586-T598 PolarHBondContact O-N 2.69Å
587E95.6Very high94.6Very high130 Ų13062.9 Ų62.961%0.60736%0.358SS*.EExtended strand (participates in β ladder)trans-76.1131170.3-175177.5149.600109.4L597 I653E587-L597 HydrophobicContact CB-CD2 4.48Å; E587-I653 HydrophobicContact CG-CD1 3.84Å
588I95.7Very high94.6Very high68 Ų6858.9 Ų58.935%0.34934%0.341SS..EExtended strand (participates in β ladder)trans-132.1174.3179.260.5160.8000110D596 T598I588-D596 HydrophobicContact CD1-CB 4.45Å; I588-D596 HydrophobicContact CG1-CB 4.01Å; I588-D596 PolarHBondContact N-O 2.82Å; I588-D596 PolarHBondContact O-N 3.27Å; I588-D596 VanDerWaalsContact O-O 3.06Å; I588-T598 HydrophobicContact CG2-CG2 3.8Å
589V95.3Very high94.7Very high107 Ų10756.8 Ų56.865%0.64832%0.324SS*.EExtended strand (participates in β ladder)trans-101.7123.8169.7-178.30000107.4
590G90Very high94.7Very high9 Ų957 Ų579%0.09332%0.323CS..  trans-71.4169.6177.700000112.3D592 G593 A594G590-D592 PolarHBondContact O-N 2.61Å; G590-D592 VanDerWaalsContact O-N 3.1Å; G590-G593 PolarHBondContact O-N 3.32Å; G590-A594 PolarHBondContact N-O 2.98Å
591D88.7Confident95Very high173 Ų17351.4 Ų51.493%0.92529%0.293SS*.THydrogen-bonded Turntrans-61-22.8-178.4-63.9-28.4000113.5G593D591-G593 VanDerWaalsContact C-N 3.31Å
592D92Very high95.1Very high108 Ų10851.2 Ų51.258%0.57829%0.289SS*.THydrogen-bonded Turntrans-85.31.1175.362.9-1.9000114G590 A594 R657G590-D592 PolarHBondContact O-N 2.61Å; G590-D592 VanDerWaalsContact O-N 3.1Å; D592-A594 VanDerWaalsContact C-N 3.29Å; D592-A594 PolarHBondContact O-N 2.66Å; D592-A594 PolarHBondContact OD1-N 2.73Å; D592-A594 VanDerWaalsContact OD1-N 3.07Å; D592-R657 IonicContact OD1-CZ 3.83Å; D592-R657 IonicContact OD1-NH1 2.69Å; D592-R657 PolarHBondContact OD1-NH1 3.47Å; D592-R657 VanDerWaalsContact OD1-NH1 3.08Å; D592-R657 IonicContact OD1-NH2 3.98Å; D592-R657 PolarHBondContact OD1-NH2 3.34Å; D592-R657 IonicContact OD2-CZ 3.34Å; D592-R657 IonicContact OD2-NH1 3.07Å; D592-R657 PolarHBondContact OD2-NH1 2.82Å; D592-R657 IonicContact OD2-NH2 3.65Å
593G94.7Very high95Very high58 Ų5854.3 Ų54.360%0.59830%0.301SS*.SBendtrans80.7-1.6-178.700000115.1G590 D591G590-G593 PolarHBondContact O-N 3.32Å; D591-G593 VanDerWaalsContact C-N 3.31Å
594A93.6Very high94.9Very high38 Ų3862.4 Ų62.431%0.31434%0.338SS..SBendtrans-87.1160.8176.800000111.9G590 D592 D596 R657G590-A594 PolarHBondContact N-O 2.98Å; D592-A594 VanDerWaalsContact C-N 3.29Å; D592-A594 PolarHBondContact O-N 2.66Å; D592-A594 PolarHBondContact OD1-N 2.73Å; D592-A594 VanDerWaalsContact OD1-N 3.07Å; A594-D596 PolarHBondContact O-N 2.87Å; A594-R657 PolarHBondContact O-NH2 3.02Å
595P95.5Very high95Very high67 Ų6760.4 Ų60.444%0.43533%0.332SS..EExtended strand (participates in β ladder)trans-56.6138.1174-25.435.2000112.1I653 R657P595-I653 HydrophobicContact CB-CD1 3.96Å; P595-I653 HydrophobicContact CB-CG1 4.04Å; P595-R657 PolarHBondContact O-NE 3.47Å; P595-R657 PolarHBondContact O-NH2 3.05Å; P595-R657 VanDerWaalsContact O-NH2 3.07Å
596D95.3Very high94.9Very high31 Ų3159.1 Ų59.117%0.16633%0.325CS..EExtended strand (participates in β ladder)trans-144175.4178.7-160.46.9000110.4F413 I588 A594 R657F413-D596 WeakPolarHBondContact CD1-OD1 3.09Å; F413-D596 WeakPolarHBondContact CE1-OD1 3.23Å; I588-D596 HydrophobicContact CD1-CB 4.45Å; I588-D596 HydrophobicContact CG1-CB 4.01Å; I588-D596 PolarHBondContact N-O 2.82Å; I588-D596 PolarHBondContact O-N 3.27Å; I588-D596 VanDerWaalsContact O-O 3.06Å; A594-D596 PolarHBondContact O-N 2.87Å; D596-R657 IonicContact OD1-NE 2.81Å
597L96.5Very high94.8Very high1 Ų158.2 Ų58.21%0.00532%0.321CS..EExtended strand (participates in β ladder)trans-123.7157.5179.1-54.5175.8000111.2F413 V542 I585 D586 E587 L650 I653 V654F413-L597 WeakPolarHBondContact CA-O 3.45Å; F413-L597 HydrophobicContact CB-CB 4.39Å; F413-L597 HydrophobicContact CD1-CB 3.6Å; F413-L597 HydrophobicContact CD1-CG 4.35Å; F413-L597 WeakPolarHBondContact CD1-O 3.48Å; F413-L597 HydrophobicContact CE1-CB 4.04Å; F413-L597 HydrophobicContact CE1-CD1 4.41Å; F413-L597 HydrophobicContact CE1-CG 4.3Å; F413-L597 HydrophobicContact CG-CB 4.06Å; V542-L597 HydrophobicContact CG1-CD1 3.94Å; I585-L597 HydrophobicContact CG2-CB 4.33Å; I585-L597 HydrophobicContact CG2-CD1 4.2Å; I585-L597 HydrophobicContact CG2-CD2 4.37Å; D586-L597 CarbonylContact O-C 3.54Å; D586-L597 WeakPolarHBondContact O-CA 3.27Å; E587-L597 HydrophobicContact CB-CD2 4.48Å; L597-L650 HydrophobicContact CD1-CB 4.27Å; L597-L650 HydrophobicContact CD2-CD2 3.73Å; L597-I653 HydrophobicContact CD1-CB 4.48Å; L597-I653 HydrophobicContact CD1-CG2 4.43Å; L597-I653 HydrophobicContact CD2-CB 4.29Å; L597-I653 HydrophobicContact CD2-CD1 3.84Å; L597-I653 HydrophobicContact CD2-CG2 4.15Å; L597-I653 HydrophobicContact CG-CB 4.22Å; L597-I653 HydrophobicContact CG-CG2 3.79Å; L597-V654 HydrophobicContact CD1-CG2 3.71Å
598T96.5Very high94.7Very high22 Ų2256.8 Ų56.814%0.13532%0.321CS..EExtended strand (participates in β ladder)trans-137.1145.2164.7-161.70000111.4F413 R415 D586 I588F413-T598 CarbonylContact O-C 3.54Å; F413-T598 WeakPolarHBondContact O-CA 3.07Å; R415-T598 WeakPolarHBondContact CG-OG1 3.13Å; D586-T598 HydrophobicContact CB-CG2 3.86Å; D586-T598 PolarHBondContact N-O 2.82Å; D586-T598 PolarHBondContact O-N 2.69Å; I588-T598 HydrophobicContact CG2-CG2 3.8Å
599I97.1Very high94.8Very high0 Ų055.2 Ų55.20%031%0.314CS..EExtended strand (participates in β ladder)trans-108.2123.7-175.2-63.4172.3000109.1F413 R415 L535 V538 R539 V542F413-I599 HydrophobicContact CB-CD1 3.89Å; F413-I599 HydrophobicContact CB-CG1 3.99Å; F413-I599 PolarHBondContact O-N 2.95Å; R415-I599 WeakPolarHBondContact CD-O 3.35Å; R415-I599 WeakPolarHBondContact CG-O 3.47Å; R415-I599 PolarHBondContact NE-O 2.96Å; L535-I599 HydrophobicContact CD1-CG2 4.1Å; V538-I599 HydrophobicContact CB-CG2 4.47Å; V538-I599 HydrophobicContact CG1-CG2 3.46Å; V538-I599 VanDerWaalsContact CG1-CG2 3.46Å; R539-I599 VanDerWaalsContact CA-CD1 3.47Å; R539-I599 HydrophobicContact CB-CD1 3.86Å; R539-I599 HydrophobicContact CG-CD1 4.16Å; V542-I599 HydrophobicContact CB-CD1 4.01Å; V542-I599 HydrophobicContact CG1-CD1 4.42Å; V542-I599 HydrophobicContact CG2-CD1 3.72Å; V542-I599 HydrophobicContact CG2-CG1 4.16Å
600F97Very high94.9Very high44 Ų4450.1 Ų50.119%0.19328%0.284CS..EExtended strand (participates in β ladder)trans-101.8129.5169.2175.8-94.5000109.7V583 R584 D602V583-F600 WeakPolarHBondContact CA-O 3.47Å; R584-F600 HydrophobicContact CB-CB 4.23Å; R584-F600 PolarHBondContact N-O 3.15Å; R584-F600 PolarHBondContact O-N 3.12Å; F600-D602 HydrophobicContact CE1-CB 3.85Å; F600-D602 HydrophobicContact CZ-CB 4.04Å
601L97.6Very high95.2Very high2 Ų253.2 Ų53.21%0.0129%0.292CS..EExtended strand (participates in β ladder)trans-129.2117.5171.9177.664.7000109.4Y531 W534 L535 V538 L582 V583 R603 L606Y531-L601 HydrophobicContact CD2-CD2 4.24Å; Y531-L601 HydrophobicContact CE2-CB 4.3Å; Y531-L601 HydrophobicContact CE2-CD2 3.96Å; Y531-L601 HydrophobicContact CE2-CG 4.08Å; W534-L601 HydrophobicContact CB-CD2 3.85Å; L535-L601 HydrophobicContact CB-CD2 3.95Å; L535-L601 HydrophobicContact CD1-CB 4.17Å; L535-L601 HydrophobicContact CD1-CD2 4.41Å; V538-L601 HydrophobicContact CG2-CD1 4.33Å; L582-L601 HydrophobicContact CD1-CD1 4.32Å; L582-L601 WeakPolarHBondContact O-CA 3.29Å; V583-L601 HydrophobicContact CG2-CD1 3.73Å; L601-R603 PolarHBondContact O-N 2.98Å; L601-L606 HydrophobicContact CD1-CD2 3.89Å; L601-L606 HydrophobicContact CD2-CD1 4.47Å; L601-L606 HydrophobicContact CD2-CD2 4.29Å; L601-L606 HydrophobicContact CG-CD2 4.33Å
602D96.9Very high95.7Very high35 Ų3548.2 Ų48.219%0.18727%0.269CS..  trans-79104.9178.2-171.1-17.3000111.2L582 F600 Q604 K605L582-D602 PolarHBondContact O-N 3.15Å; F600-D602 HydrophobicContact CE1-CB 3.85Å; F600-D602 HydrophobicContact CZ-CB 4.04Å; D602-Q604 PolarHBondContact O-N 3.02Å; D602-Q604 WeakPolarHBondContact OD1-CB 3.36Å; D602-Q604 PolarHBondContact OD1-N 2.73Å; D602-K605 HydrophobicContact CB-CB 4.23Å; D602-K605 HydrophobicContact CB-CD 4.3Å; D602-K605 HydrophobicContact CB-CG 4.31Å; D602-K605 PolarHBondContact O-N 3.42Å; D602-K605 VanDerWaalsContact O-N 3.17Å; D602-K605 WeakPolarHBondContact OD2-CD 3.08Å
603R95.3Very high96Very high65 Ų6544 Ų4425%0.24525%0.25CC..G310 helixtrans-55.1-36.4177.1-174.5-179.9-73.8-135.716.9113V526 D528 Y531 L601 K605 L606V526-R603 HydrophobicContact CB-CG 3.83Å; V526-R603 HydrophobicContact CG1-CG 4.34Å; V526-R603 HydrophobicContact CG2-CG 4.29Å; V526-R603 PolarHBondContact O-NH1 3.16Å; D528-R603 IonicContact OD1-CZ 2.71Å; D528-R603 VanDerWaalsContact OD1-CZ 3.24Å; D528-R603 IonicContact OD1-NH1 3.82Å; D528-R603 PolarHBondContact OD1-NH1 3.02Å; D528-R603 IonicContact OD1-NH2 2.73Å; D528-R603 PolarHBondContact OD1-NH2 2.83Å; Y531-R603 HydrophobicContact CD2-CB 3.68Å; Y531-R603 HydrophobicContact CD2-CG 3.8Å; Y531-R603 HydrophobicContact CE2-CB 3.8Å; Y531-R603 HydrophobicContact CE2-CG 4.42Å; Y531-R603 HydrophobicContact CG-CG 4.41Å; Y531-R603 VanDerWaalsContact CG-CZ 3.45Å; Y531-R603 VanDerWaalsContact CG-NE 3.31Å; L601-R603 PolarHBondContact O-N 2.98Å; R603-K605 PolarHBondContact O-N 3.33Å; R603-L606 PolarHBondContact O-N 3.38Å
604Q93.9Very high96.2Very high172 Ų17241.3 Ų41.380%0.80422%0.221SC*.G310 helixtrans-72-21.3-175.2-59.8-176.24.700112.4D602D602-Q604 PolarHBondContact O-N 3.02Å; D602-Q604 WeakPolarHBondContact OD1-CB 3.36Å; D602-Q604 PolarHBondContact OD1-N 2.73Å
605K96.1Very high96.4Very high53 Ų5339.8 Ų39.823%0.2321%0.209CC..G310 helixtrans-96.8-5.1-179.4-67.8-174.4172.6-157.50113.9D579 S581 L582 D602 R603 L607 V609 G610D579-K605 IonicContact OD2-NZ 3.64Å; D579-K605 PolarHBondContact OD2-NZ 2.93Å; S581-K605 PolarHBondContact OG-NZ 3.47Å; L582-K605 HydrophobicContact CD1-CB 3.52Å; D602-K605 HydrophobicContact CB-CB 4.23Å; D602-K605 HydrophobicContact CB-CD 4.3Å; D602-K605 HydrophobicContact CB-CG 4.31Å; D602-K605 PolarHBondContact O-N 3.42Å; D602-K605 VanDerWaalsContact O-N 3.17Å; D602-K605 WeakPolarHBondContact OD2-CD 3.08Å; R603-K605 PolarHBondContact O-N 3.33Å; K605-L607 PolarHBondContact O-N 3.27Å; K605-V609 HydrophobicContact CB-CB 4.32Å; K605-V609 HydrophobicContact CB-CG2 4.15Å; K605-V609 HydrophobicContact CG-CG2 4.43Å; K605-V609 WeakPolarHBondContact O-CA 3.45Å; K605-V609 WeakPolarHBondContact O-CB 3.38Å; K605-V609 PolarHBondContact O-N 2.93Å; K605-G610 PolarHBondContact O-N 3.19Å
606L95.1Very high96.5Very high0 Ų040 Ų400%021%0.205CC..Iπ-helixtrans-59.9-46.6-178.2-78.8177.1000112.7V526 Y531 W534 L582 L601 R603 G610 R611V526-L606 HydrophobicContact CG1-CD1 3.96Å; V526-L606 HydrophobicContact CG2-CB 4.14Å; V526-L606 HydrophobicContact CG2-CD1 4.43Å; Y531-L606 HydrophobicContact CD2-CD1 3.94Å; W534-L606 HydrophobicContact CB-CD1 4.16Å; W534-L606 HydrophobicContact CB-CD2 3.9Å; W534-L606 HydrophobicContact CD2-CD2 3.63Å; W534-L606 HydrophobicContact CE3-CD2 3.7Å; W534-L606 HydrophobicContact CG-CD1 4.15Å; W534-L606 HydrophobicContact CG-CD2 3.73Å; W534-L606 HydrophobicContact CZ3-CD2 4.44Å; L582-L606 HydrophobicContact CD1-CD2 4.36Å; L601-L606 HydrophobicContact CD1-CD2 3.89Å; L601-L606 HydrophobicContact CD2-CD1 4.47Å; L601-L606 HydrophobicContact CD2-CD2 4.29Å; L601-L606 HydrophobicContact CG-CD2 4.33Å; R603-L606 PolarHBondContact O-N 3.38Å; L606-G610 CarbonylContact O-C 3.58Å; L606-G610 WeakPolarHBondContact O-CA 3.45Å; L606-G610 PolarHBondContact O-N 3.34Å; L606-R611 WeakPolarHBondContact O-CB 3.48Å; L606-R611 PolarHBondContact O-N 2.95Å
607L92.3Very high96.6Very high40 Ų4038.9 Ų38.921%0.20920%0.198CC..Iπ-helixtrans-82-28.5-177.4-57.7-177.1000113.4N507 V526 K605 P612N507-L607 HydrophobicContact CB-CD2 4.2Å; N507-L607 WeakPolarHBondContact ND2-CD2 3.4Å; V526-L607 HydrophobicContact CG2-CD1 4Å; V526-L607 HydrophobicContact CG2-CD2 4.27Å; V526-L607 HydrophobicContact CG2-CG 3.76Å; K605-L607 PolarHBondContact O-N 3.27Å; L607-P612 WeakPolarHBondContact O-CD 3.43Å
608T94.7Very high96.7Very high100 Ų10038.8 Ų38.861%0.61320%0.198SC*.Iπ-helixtrans-92.8-25.4-174.451.70000113.6
609V97.3Very high96.8Very high35 Ų3540.8 Ų40.821%0.21220%0.203CC..Iπ-helixtrans-123.2-55.7-179-176.40000111.2A578 D579 L582 K605 P612 A613A578-V609 HydrophobicContact CB-CG1 4.06Å; D579-V609 HydrophobicContact CB-CG1 3.7Å; L582-V609 HydrophobicContact CD2-CB 4.41Å; L582-V609 HydrophobicContact CD2-CG1 4.12Å; K605-V609 HydrophobicContact CB-CB 4.32Å; K605-V609 HydrophobicContact CB-CG2 4.15Å; K605-V609 HydrophobicContact CG-CG2 4.43Å; K605-V609 WeakPolarHBondContact O-CA 3.45Å; K605-V609 WeakPolarHBondContact O-CB 3.38Å; K605-V609 PolarHBondContact O-N 2.93Å; V609-P612 WeakPolarHBondContact O-CD 3.46Å; V609-A613 WeakPolarHBondContact O-CB 3.33Å; V609-A613 PolarHBondContact O-N 3.43Å; V609-A613 VanDerWaalsContact O-N 3.1Å
610G97.4Very high96.8Very high0 Ų043.5 Ų43.50%022%0.215CC..Iπ-helixtrans-61.2-54-173.800000113.1K605 L606 A613 I614K605-G610 PolarHBondContact O-N 3.19Å; L606-G610 CarbonylContact O-C 3.58Å; L606-G610 WeakPolarHBondContact O-CA 3.45Å; L606-G610 PolarHBondContact O-N 3.34Å; G610-A613 PolarHBondContact O-N 2.87Å; G610-I614 WeakPolarHBondContact O-CG1 3.33Å; G610-I614 PolarHBondContact O-N 3.27Å
611R96.5Very high96.8Very high73 Ų7341.6 Ų41.628%0.27521%0.207SC..Hα-helixtrans-61.5-46.2-179.1178.3178.5177.6-89.3-6.1112.6Y504 W534 L606 A613 I614 G615Y504-R611 HydrophobicContact CD2-CG 3.91Å; Y504-R611 HydrophobicContact CE2-CG 3.85Å; Y504-R611 PolarHBondContact OH-NH2 3.07Å; W534-R611 HydrophobicContact CZ2-CB 4.4Å; L606-R611 WeakPolarHBondContact O-CB 3.48Å; L606-R611 PolarHBondContact O-N 2.95Å; R611-A613 PolarHBondContact O-N 3.11Å; R611-I614 PolarHBondContact O-N 2.94Å; R611-G615 PolarHBondContact O-N 3.33Å
612P97.9Very high96.8Very high68 Ų6841.5 Ų41.544%0.44221%0.206SC..Hα-helixtrans-58.1-42.5172.6-29.436.9000113.9L607 V609 G615 E616L607-P612 WeakPolarHBondContact O-CD 3.43Å; V609-P612 WeakPolarHBondContact O-CD 3.46Å; P612-G615 PolarHBondContact O-N 2.96Å; P612-E616 PolarHBondContact O-N 3.33Å
613A98.4Very high96.9Very high21 Ų2140.5 Ų40.517%0.17420%0.2CC..Hα-helixtrans-63.5-46.8178.900000112.2V574 A578 V609 G610 R611 G615 E616 F617V574-A613 HydrophobicContact CG1-CB 4.23Å; A578-A613 HydrophobicContact CB-CB 3.51Å; V609-A613 WeakPolarHBondContact O-CB 3.33Å; V609-A613 PolarHBondContact O-N 3.43Å; V609-A613 VanDerWaalsContact O-N 3.1Å; G610-A613 PolarHBondContact O-N 2.87Å; R611-A613 PolarHBondContact O-N 3.11Å; A613-G615 VanDerWaalsContact C-N 3.32Å; A613-G615 PolarHBondContact O-N 3.42Å; A613-E616 PolarHBondContact O-N 2.9Å; A613-F617 WeakPolarHBondContact O-CB 3.23Å; A613-F617 PolarHBondContact O-N 3.46Å
614I98.4Very high97Very high0 Ų039 Ų390%019%0.194CC..Hα-helixtrans-62.6-40.6174.2-64.6-56.9000111.1C500 I503 Y504 W534 I571 V574 L575 G610 R611 E616 F617 L618C500-I614 HydrophobicContact CB-CG2 3.97Å; I503-I614 HydrophobicContact CD1-CD1 4.04Å; I503-I614 HydrophobicContact CD1-CG1 3.96Å; I503-I614 HydrophobicContact CD1-CG2 4.14Å; I503-I614 HydrophobicContact CG1-CG2 4.1Å; Y504-I614 HydrophobicContact CD2-CG2 4.4Å; W534-I614 HydrophobicContact CH2-CB 4.31Å; W534-I614 HydrophobicContact CH2-CG1 3.73Å; W534-I614 HydrophobicContact CZ3-CG1 3.8Å; I571-I614 HydrophobicContact CG2-CD1 3.92Å; V574-I614 HydrophobicContact CB-CD1 4.43Å; V574-I614 HydrophobicContact CG1-CD1 4Å; L575-I614 HydrophobicContact CD2-CD1 3.9Å; L575-I614 HydrophobicContact CD2-CG1 3.91Å; L575-I614 HydrophobicContact CG-CD1 4.3Å; G610-I614 WeakPolarHBondContact O-CG1 3.33Å; G610-I614 PolarHBondContact O-N 3.27Å; R611-I614 PolarHBondContact O-N 2.94Å; I614-E616 PolarHBondContact O-N 3.48Å; I614-F617 PolarHBondContact O-N 2.99Å; I614-L618 WeakPolarHBondContact O-CB 3.17Å; I614-L618 PolarHBondContact O-N 3.19Å
615G98.2Very high97Very high6 Ų631.6 Ų31.66%0.06216%0.159CC..Hα-helixtrans-59-45.5177.500000112.8P347 Y504 R611 P612 A613 R619P347-G615 WeakPolarHBondContact CB-O 3.26Å; P347-G615 VanDerWaalsContact CG-O 3.27Å; P347-G615 WeakPolarHBondContact CG-O 3Å; Y504-G615 VanDerWaalsContact CE2-CA 3.43Å; R611-G615 PolarHBondContact O-N 3.33Å; P612-G615 PolarHBondContact O-N 2.96Å; A613-G615 VanDerWaalsContact C-N 3.32Å; A613-G615 PolarHBondContact O-N 3.42Å; G615-R619 WeakPolarHBondContact O-CB 3.38Å; G615-R619 PolarHBondContact O-N 3.44Å
616E98Very high97.1Very high73 Ų7329 Ų2934%0.34115%0.149SC..Hα-helixtrans-67.9-40.9177.8177.258.6-168.600112.4P612 A613 I614 R619 K620P612-E616 PolarHBondContact O-N 3.33Å; A613-E616 PolarHBondContact O-N 2.9Å; I614-E616 PolarHBondContact O-N 3.48Å; E616-R619 VanDerWaalsContact CD-NH2 3.28Å; E616-R619 PolarHBondContact O-N 2.98Å; E616-R619 IonicContact OE1-CZ 2.83Å; E616-R619 IonicContact OE1-NE 2.67Å; E616-R619 IonicContact OE1-NH2 2.73Å; E616-R619 PolarHBondContact OE1-NH2 2.75Å; E616-R619 IonicContact OE2-CZ 3.33Å; E616-R619 VanDerWaalsContact OE2-CZ 3.28Å; E616-R619 IonicContact OE2-NE 3.68Å; E616-R619 PolarHBondContact OE2-NE 3.04Å; E616-R619 IonicContact OE2-NH2 3.07Å; E616-R619 PolarHBondContact OE2-NH2 2.98Å; E616-K620 PolarHBondContact O-N 3.32Å; E616-K620 WeakPolarHBondContact OE1-CE 3.44Å; E616-K620 IonicContact OE1-NZ 2.77Å
617F98.2Very high97.2Very high6 Ų629.1 Ų29.13%0.02615%0.149CC..Hα-helixtrans-62.3-47.5175.7179.4-114.4000111.7C496 V574 A613 I614 R619 K620 I621 F636 F637 Y640C496-F617 VanDerWaalsContact SG-CE1 3.58Å; V574-F617 HydrophobicContact CG1-CB 3.99Å; V574-F617 HydrophobicContact CG1-CG 4.26Å; V574-F617 HydrophobicContact CG2-CB 4.19Å; V574-F617 HydrophobicContact CG2-CD1 3.83Å; V574-F617 HydrophobicContact CG2-CD2 3.51Å; V574-F617 HydrophobicContact CG2-CE1 3.97Å; V574-F617 HydrophobicContact CG2-CE2 3.72Å; V574-F617 HydrophobicContact CG2-CG 3.58Å; V574-F617 HydrophobicContact CG2-CZ 3.93Å; A613-F617 WeakPolarHBondContact O-CB 3.23Å; A613-F617 PolarHBondContact O-N 3.46Å; I614-F617 PolarHBondContact O-N 2.99Å; F617-R619 PolarHBondContact O-N 3.38Å; F617-K620 PolarHBondContact O-N 3Å; F617-I621 HydrophobicContact CD1-CD1 3.77Å; F617-I621 HydrophobicContact CD2-CD1 4.48Å; F617-I621 HydrophobicContact CE1-CD1 3.28Å; F617-I621 HydrophobicContact CE1-CG1 4.42Å; F617-I621 HydrophobicContact CE2-CD1 4.04Å; F617-I621 HydrophobicContact CE2-CG1 4.44Å; F617-I621 HydrophobicContact CG-CD1 4.35Å; F617-I621 HydrophobicContact CZ-CD1 3.44Å; F617-I621 VanDerWaalsContact CZ-CD1 3.44Å; F617-I621 HydrophobicContact CZ-CG1 4.27Å; F617-I621 PolarHBondContact O-N 3.11Å; F617-F636 AromaticContact CD2-CE1 3.69Å; F617-F636 HydrophobicContact CD2-CE1 3.69Å; F617-F636 AromaticContact CD2-CZ 3.56Å; F617-F636 HydrophobicContact CD2-CZ 3.56Å; F617-F636 AromaticContact CE2-CE1 3.53Å; F617-F636 HydrophobicContact CE2-CE1 3.53Å; F617-F636 AromaticContact CE2-CZ 3.8Å; F617-F636 HydrophobicContact CE2-CZ 3.8Å; F617-F637 HydrophobicContact CZ-CD2 4.45Å; F617-Y640 HydrophobicContact CD2-CD2 4.19Å; F617-Y640 HydrophobicContact CD2-CE2 4.03Å; F617-Y640 AromaticContact CE2-CD2 3.52Å; F617-Y640 HydrophobicContact CE2-CD2 3.52Å; F617-Y640 AromaticContact CE2-CE2 3.83Å; F617-Y640 HydrophobicContact CE2-CE2 3.83Å; F617-Y640 HydrophobicContact CE2-CG 4.05Å; F617-Y640 HydrophobicContact CZ-CD2 4.4Å
618L98Very high97.3Very high0 Ų027.5 Ų27.50%014%0.142CC..Hα-helixtrans-61.7-41.7177.6177.657.3000111.9L346 P347 W348 R497 C500 V501 Y504 I614 K620 I621 Q622L346-L618 HydrophobicContact CD2-CD2 4.38Å; P347-L618 HydrophobicContact CG-CB 4.08Å; P347-L618 HydrophobicContact CG-CD2 3.85Å; P347-L618 HydrophobicContact CG-CG 3.89Å; W348-L618 HydrophobicContact CE3-CG 4.34Å; W348-L618 HydrophobicContact CZ3-CD1 3.83Å; W348-L618 HydrophobicContact CZ3-CD2 4Å; W348-L618 HydrophobicContact CZ3-CG 3.68Å; R497-L618 HydrophobicContact CB-CD1 4.49Å; R497-L618 HydrophobicContact CG-CD1 3.59Å; C500-L618 HydrophobicContact CB-CB 4.24Å; C500-L618 HydrophobicContact CB-CD1 3.96Å; C500-L618 HydrophobicContact CB-CD2 4.3Å; C500-L618 HydrophobicContact CB-CG 4.39Å; V501-L618 HydrophobicContact CG2-CD1 4.04Å; V501-L618 HydrophobicContact CG2-CD2 3.82Å; Y504-L618 HydrophobicContact CG-CD2 4.47Å; I614-L618 WeakPolarHBondContact O-CB 3.17Å; I614-L618 PolarHBondContact O-N 3.19Å; L618-K620 VanDerWaalsContact C-N 3.3Å; L618-K620 PolarHBondContact O-N 2.9Å; L618-I621 PolarHBondContact O-N 3.44Å; L618-Q622 PolarHBondContact O-N 3.23Å
619R97.9Very high97.4Very high64 Ų6424.2 Ų24.224%0.24212%0.12CC..Hα-helixtrans-56.6-42.8173.8-176.4-179.976.397.69112P347 I466 G615 E616 F617 Y623P347-R619 HydrophobicContact CB-CB 4.32Å; P347-R619 HydrophobicContact CG-CB 4.4Å; P347-R619 WeakPolarHBondContact O-CB 3.41Å; P347-R619 VanDerWaalsContact O-CD 3.31Å; P347-R619 WeakPolarHBondContact O-CD 3.49Å; P347-R619 WeakPolarHBondContact O-CG 3.36Å; I466-R619 HydrophobicContact CG2-CG 3.9Å; I466-R619 PolarHBondContact O-NH1 2.91Å; G615-R619 WeakPolarHBondContact O-CB 3.38Å; G615-R619 PolarHBondContact O-N 3.44Å; E616-R619 VanDerWaalsContact CD-NH2 3.28Å; E616-R619 PolarHBondContact O-N 2.98Å; E616-R619 IonicContact OE1-CZ 2.83Å; E616-R619 IonicContact OE1-NE 2.67Å; E616-R619 IonicContact OE1-NH2 2.73Å; E616-R619 PolarHBondContact OE1-NH2 2.75Å; E616-R619 IonicContact OE2-CZ 3.33Å; E616-R619 VanDerWaalsContact OE2-CZ 3.28Å; E616-R619 IonicContact OE2-NE 3.68Å; E616-R619 PolarHBondContact OE2-NE 3.04Å; E616-R619 IonicContact OE2-NH2 3.07Å; E616-R619 PolarHBondContact OE2-NH2 2.98Å; F617-R619 PolarHBondContact O-N 3.38Å; R619-Y623 WeakPolarHBondContact O-CB 3.32Å; R619-Y623 PolarHBondContact O-N 3.25Å
620K97.6Very high97.2Very high56 Ų5623.2 Ų23.224%0.24312%0.116CC..Hα-helixtrans-69.7-43.5177.9-72177.7-179163.50112.5I467 E616 F617 L618 Q622 Y623 Y624 F636I467-K620 HydrophobicContact CD1-CG 4.33Å; E616-K620 PolarHBondContact O-N 3.32Å; E616-K620 WeakPolarHBondContact OE1-CE 3.44Å; E616-K620 IonicContact OE1-NZ 2.77Å; F617-K620 PolarHBondContact O-N 3Å; L618-K620 VanDerWaalsContact C-N 3.3Å; L618-K620 PolarHBondContact O-N 2.9Å; K620-Q622 VanDerWaalsContact C-N 3.34Å; K620-Q622 PolarHBondContact O-N 3.22Å; K620-Y623 WeakPolarHBondContact O-CB 3.41Å; K620-Y623 PolarHBondContact O-N 2.9Å; K620-Y624 HydrophobicContact CB-CE2 4.2Å; K620-Y624 WeakPolarHBondContact O-CD2 3.33Å; K620-Y624 PolarHBondContact O-N 2.71Å; K620-F636 HydrophobicContact CB-CE1 3.94Å; K620-F636 HydrophobicContact CB-CE2 4.44Å; K620-F636 HydrophobicContact CB-CZ 3.79Å; K620-F636 HydrophobicContact CD-CD2 4.49Å; K620-F636 HydrophobicContact CD-CE1 4.49Å; K620-F636 HydrophobicContact CD-CE2 3.57Å; K620-F636 HydrophobicContact CD-CZ 3.56Å; K620-F636 HydrophobicContact CG-CZ 4.33Å
621I97.4Very high97.1Very high4 Ų431.6 Ų31.62%0.02115%0.152CC..Hα-helixtrans-59.1-47.8176.7-69169.4000110.5I493 R497 F617 L618 Y623 Y624 K625 F636I493-I621 HydrophobicContact CG2-CG2 3.78Å; R497-I621 HydrophobicContact CB-CG2 3.85Å; R497-I621 HydrophobicContact CG-CG2 3.93Å; F617-I621 HydrophobicContact CD1-CD1 3.77Å; F617-I621 HydrophobicContact CD2-CD1 4.48Å; F617-I621 HydrophobicContact CE1-CD1 3.28Å; F617-I621 HydrophobicContact CE1-CG1 4.42Å; F617-I621 HydrophobicContact CE2-CD1 4.04Å; F617-I621 HydrophobicContact CE2-CG1 4.44Å; F617-I621 HydrophobicContact CG-CD1 4.35Å; F617-I621 HydrophobicContact CZ-CD1 3.44Å; F617-I621 VanDerWaalsContact CZ-CD1 3.44Å; F617-I621 HydrophobicContact CZ-CG1 4.27Å; F617-I621 PolarHBondContact O-N 3.11Å; L618-I621 PolarHBondContact O-N 3.44Å; I621-Y623 VanDerWaalsContact C-N 3.29Å; I621-Y623 PolarHBondContact O-N 3.03Å; I621-Y624 PolarHBondContact O-N 2.94Å; I621-K625 WeakPolarHBondContact O-CB 3.42Å; I621-K625 PolarHBondContact O-N 3.44Å; I621-F636 HydrophobicContact CG1-CE1 4.21Å
622Q97.6Very high97.1Very high0 Ų031.9 Ų31.90%016%0.159CC..Hα-helixtrans-61.2-39.4178-173.96057.200111.5W348 L618 K620 K625 S626W348-Q622 HydrophobicContact CB-CG 4.38Å; W348-Q622 HydrophobicContact CD2-CB 4.06Å; W348-Q622 HydrophobicContact CD2-CG 3.65Å; W348-Q622 HydrophobicContact CE3-CB 3.69Å; W348-Q622 HydrophobicContact CE3-CG 3.8Å; W348-Q622 HydrophobicContact CG-CG 3.92Å; W348-Q622 HydrophobicContact CZ2-CG 4.48Å; W348-Q622 HydrophobicContact CZ3-CB 4.1Å; W348-Q622 HydrophobicContact CZ3-CG 4.27Å; L618-Q622 PolarHBondContact O-N 3.23Å; K620-Q622 VanDerWaalsContact C-N 3.34Å; K620-Q622 PolarHBondContact O-N 3.22Å; Q622-K625 PolarHBondContact O-N 3.04Å; Q622-S626 PolarHBondContact NE2-OG 3.22Å; Q622-S626 WeakPolarHBondContact O-CB 3.48Å; Q622-S626 PolarHBondContact O-N 2.86Å; Q622-S626 PolarHBondContact O-OG 3.35Å; Q622-S626 VanDerWaalsContact O-OG 3.09Å
623Y97.7Very high97Very high15 Ų1528.8 Ų28.86%0.05914%0.139CC..Hα-helixtrans-56.9-52.2174.6166-100.1000112.6Y352 D465 I466 I467 R619 K620 I621 S626 T627Y352-Y623 HydrophobicContact CE1-CD2 4.09Å; Y352-Y623 WeakPolarHBondContact OH-CD2 3.48Å; D465-Y623 HydrophobicContact CB-CE2 4.5Å; D465-Y623 VanDerWaalsContact OD1-CE2 3.26Å; D465-Y623 WeakPolarHBondContact OD1-CE2 3.24Å; D465-Y623 PolarHBondContact OD1-OH 3.19Å; D465-Y623 PolarHBondContact OD2-OH 2.98Å; I466-Y623 HydrophobicContact CB-CD2 3.69Å; I466-Y623 HydrophobicContact CB-CE2 4.42Å; I466-Y623 HydrophobicContact CB-CG 4.19Å; I466-Y623 HydrophobicContact CD1-CD2 4.43Å; I466-Y623 HydrophobicContact CG1-CD2 4.27Å; I467-Y623 HydrophobicContact CB-CE1 4.35Å; I467-Y623 HydrophobicContact CD1-CD1 4.37Å; I467-Y623 HydrophobicContact CG1-CD1 3.63Å; I467-Y623 HydrophobicContact CG1-CD2 4.39Å; I467-Y623 HydrophobicContact CG1-CE1 3.48Å; I467-Y623 VanDerWaalsContact CG1-CE1 3.48Å; I467-Y623 HydrophobicContact CG1-CE2 4.25Å; I467-Y623 HydrophobicContact CG1-CG 4.09Å; R619-Y623 WeakPolarHBondContact O-CB 3.32Å; R619-Y623 PolarHBondContact O-N 3.25Å; K620-Y623 WeakPolarHBondContact O-CB 3.41Å; K620-Y623 PolarHBondContact O-N 2.9Å; I621-Y623 VanDerWaalsContact C-N 3.29Å; I621-Y623 PolarHBondContact O-N 3.03Å; Y623-S626 PolarHBondContact O-N 3.23Å; Y623-T627 HydrophobicContact CD2-CG2 4.03Å; Y623-T627 HydrophobicContact CE2-CG2 3.77Å; Y623-T627 WeakPolarHBondContact O-CB 3.37Å; Y623-T627 WeakPolarHBondContact O-CG2 3.37Å; Y623-T627 PolarHBondContact O-N 3.22Å; Y623-T627 VanDerWaalsContact O-N 3.13Å; Y623-T627 PolarHBondContact O-OG1 3.19Å
624Y97.4Very high96.8Very high32 Ų3228.7 Ų28.713%0.12514%0.137CC..Hα-helixtrans-64.5-41.9-178.7-66.7-61000111.8K620 I621 A628 N629 D632 F636K620-Y624 HydrophobicContact CB-CE2 4.2Å; K620-Y624 WeakPolarHBondContact O-CD2 3.33Å; K620-Y624 PolarHBondContact O-N 2.71Å; I621-Y624 PolarHBondContact O-N 2.94Å; Y624-A628 PolarHBondContact O-N 3.2Å; Y624-N629 HydrophobicContact CD1-CB 4.22Å; Y624-N629 PolarHBondContact O-N 3.38Å; Y624-D632 HydrophobicContact CD1-CB 4.22Å; Y624-D632 HydrophobicContact CE1-CB 3.63Å; Y624-F636 HydrophobicContact CD2-CB 4.43Å; Y624-F636 HydrophobicContact CD2-CD1 4.1Å; Y624-F636 HydrophobicContact CD2-CG 4.39Å; Y624-F636 HydrophobicContact CE2-CB 3.73Å; Y624-F636 AromaticContact CE2-CD1 3.72Å; Y624-F636 HydrophobicContact CE2-CD1 3.72Å; Y624-F636 HydrophobicContact CE2-CD2 4.25Å; Y624-F636 HydrophobicContact CE2-CE1 4.39Å; Y624-F636 AromaticContact CE2-CG 3.62Å; Y624-F636 HydrophobicContact CE2-CG 3.62Å
625K96Very high96.7Very high17 Ų1731.3 Ų31.37%0.07416%0.159CC..Hα-helixtrans-57.9-56.1174.6176.2176179.5-179.50111L447 Y476 Y482 E494 I621 Q622 T627 A628L447-K625 HydrophobicContact CD2-CD 4.36Å; L447-K625 HydrophobicContact CD2-CG 3.63Å; Y476-K625 VanDerWaalsContact CE2-O 3.3Å; Y476-K625 WeakPolarHBondContact CE2-O 3.32Å; Y476-K625 PolarHBondContact OH-O 3.28Å; Y476-K625 VanDerWaalsContact OH-O 3.05Å; Y482-K625 HydrophobicContact CD2-CG 3.96Å; Y482-K625 HydrophobicContact CE2-CB 4.31Å; Y482-K625 HydrophobicContact CE2-CD 4.25Å; Y482-K625 HydrophobicContact CE2-CG 3.87Å; E494-K625 VanDerWaalsContact CD-NZ 3.25Å; E494-K625 IonicContact OE1-NZ 3.51Å; E494-K625 PolarHBondContact OE1-NZ 2.94Å; E494-K625 IonicContact OE2-NZ 3.13Å; E494-K625 PolarHBondContact OE2-NZ 3.35Å; I621-K625 WeakPolarHBondContact O-CB 3.42Å; I621-K625 PolarHBondContact O-N 3.44Å; Q622-K625 PolarHBondContact O-N 3.04Å; K625-T627 VanDerWaalsContact C-N 3.32Å; K625-T627 PolarHBondContact O-N 2.91Å; K625-A628 PolarHBondContact O-N 2.99Å
626S96.6Very high96.6Very high0 Ų032.6 Ų32.60%016%0.163CC..Hα-helixtrans-60.6-39.8-175.7-68.20000113.3Y352 K446 F448 Q622 Y623 A628Y352-S626 VanDerWaalsContact CD1-CB 3.44Å; Y352-S626 WeakPolarHBondContact CD1-OG 3.42Å; K446-S626 WeakPolarHBondContact O-CA 3.48Å; K446-S626 WeakPolarHBondContact O-CB 3.48Å; K446-S626 PolarHBondContact O-OG 2.75Å; F448-S626 VanDerWaalsContact CB-O 3.25Å; F448-S626 WeakPolarHBondContact CB-O 3.47Å; F448-S626 WeakPolarHBondContact CG-O 3.45Å; F448-S626 PolarHBondContact N-O 3Å; Q622-S626 PolarHBondContact NE2-OG 3.22Å; Q622-S626 WeakPolarHBondContact O-CB 3.48Å; Q622-S626 PolarHBondContact O-N 2.86Å; Q622-S626 PolarHBondContact O-OG 3.35Å; Q622-S626 VanDerWaalsContact O-OG 3.09Å; Y623-S626 PolarHBondContact O-N 3.23Å; S626-A628 VanDerWaalsContact C-N 3.33Å; S626-A628 PolarHBondContact O-N 3.25Å
627T96.9Very high96.5Very high1 Ų129.1 Ų29.11%0.00615%0.147CC..THydrogen-bonded Turntrans-87.64.4-173.858.40000114.1Y352 F448 I472 S474 W475 Y623 K625 N629Y352-T627 HydrophobicContact CE1-CG2 4.25Å; F448-T627 HydrophobicContact CD2-CG2 3.97Å; F448-T627 HydrophobicContact CE2-CG2 3.96Å; I472-T627 HydrophobicContact CD1-CG2 4.15Å; I472-T627 HydrophobicContact CG2-CG2 4.33Å; S474-T627 CarbonylContact C-O 3.46Å; S474-T627 WeakPolarHBondContact CB-O 3.13Å; S474-T627 VanDerWaalsContact O-O 3.06Å; S474-T627 PolarHBondContact OG-O 2.93Å; W475-T627 PolarHBondContact N-O 3.27Å; Y623-T627 HydrophobicContact CD2-CG2 4.03Å; Y623-T627 HydrophobicContact CE2-CG2 3.77Å; Y623-T627 WeakPolarHBondContact O-CB 3.37Å; Y623-T627 WeakPolarHBondContact O-CG2 3.37Å; Y623-T627 PolarHBondContact O-N 3.22Å; Y623-T627 VanDerWaalsContact O-N 3.13Å; Y623-T627 PolarHBondContact O-OG1 3.19Å; K625-T627 VanDerWaalsContact C-N 3.32Å; K625-T627 PolarHBondContact O-N 2.91Å; T627-N629 PolarHBondContact O-N 3.34Å
628A95.8Very high96.3Very high7 Ų732 Ų326%0.05816%0.161CC..THydrogen-bonded Turntrans53.223.2-17300000114W475 Y476 Y624 K625 S626 A630W475-A628 VanDerWaalsContact C-CB 3.47Å; Y476-A628 HydrophobicContact CD1-CB 4Å; Y476-A628 HydrophobicContact CD2-CB 3.65Å; Y476-A628 HydrophobicContact CE1-CB 3.95Å; Y476-A628 HydrophobicContact CE2-CB 3.58Å; Y476-A628 HydrophobicContact CG-CB 3.84Å; Y624-A628 PolarHBondContact O-N 3.2Å; K625-A628 PolarHBondContact O-N 2.99Å; S626-A628 VanDerWaalsContact C-N 3.33Å; S626-A628 PolarHBondContact O-N 3.25Å; A628-A630 PolarHBondContact O-N 2.89Å
629N95.7Very high96.1Very high30 Ų3036.7 Ų36.716%0.1618%0.182CC..  trans-81.967.3179.7-174.30.9000110.3Y624 T627 K631 D632 G633Y624-N629 HydrophobicContact CD1-CB 4.22Å; Y624-N629 PolarHBondContact O-N 3.38Å; T627-N629 PolarHBondContact O-N 3.34Å; N629-K631 VanDerWaalsContact C-N 3.34Å; N629-K631 PolarHBondContact O-N 3.38Å; N629-D632 PolarHBondContact ND2-OD2 2.78Å; N629-D632 PolarHBondContact OD1-N 2.84Å; N629-D632 PolarHBondContact OD1-OD2 3.41Å; N629-G633 PolarHBondContact O-N 3.44Å
630A94.1Very high96.1Very high15 Ų1534.7 Ų34.712%0.12418%0.175CC..Hα-helixtrans-64.7-36-175.900000112.8K485 F486 A628 D632 C634K485-A630 HydrophobicContact CB-CB 4.16Å; K485-A630 WeakPolarHBondContact O-CB 3.46Å; F486-A630 HydrophobicContact CD1-CB 4.31Å; F486-A630 HydrophobicContact CD2-CB 4.24Å; F486-A630 HydrophobicContact CE1-CB 4.3Å; F486-A630 HydrophobicContact CE2-CB 4.2Å; F486-A630 HydrophobicContact CG-CB 4.29Å; F486-A630 HydrophobicContact CZ-CB 4.24Å; A628-A630 PolarHBondContact O-N 2.89Å; A630-D632 PolarHBondContact O-N 2.86Å; A630-C634 WeakPolarHBondContact O-CB 3.43Å; A630-C634 PolarHBondContact O-N 2.67Å; A630-C634 PolarHBondContact O-SG 2.89Å
631K94.9Very high95.9Very high175 Ų17532.3 Ų32.376%0.76117%0.165SC*.Hα-helixtrans-59.3-53.1-178.8-178-176.8174.3-174.40111.6N629 A635N629-K631 VanDerWaalsContact C-N 3.34Å; N629-K631 PolarHBondContact O-N 3.38Å; K631-A635 PolarHBondContact O-N 2.62Å
632D95.8Very high95.6Very high79 Ų7936.2 Ų36.242%0.42218%0.183SC..Hα-helixtrans-77.4-35.7-177.9-59.7-23000111Y624 N629 A630 A635 F636Y624-D632 HydrophobicContact CD1-CB 4.22Å; Y624-D632 HydrophobicContact CE1-CB 3.63Å; N629-D632 PolarHBondContact ND2-OD2 2.78Å; N629-D632 PolarHBondContact OD1-N 2.84Å; N629-D632 PolarHBondContact OD1-OD2 3.41Å; A630-D632 PolarHBondContact O-N 2.86Å; D632-A635 PolarHBondContact O-N 3.47Å; D632-F636 VanDerWaalsContact O-CB 3.26Å; D632-F636 WeakPolarHBondContact O-CB 3.4Å; D632-F636 PolarHBondContact O-N 2.82Å
633G96.1Very high95.4Very high3 Ų336.6 Ų36.63%0.03119%0.185CC..Hα-helixtrans-63.7-43.6177.500000113.3N629 F636 F637N629-G633 PolarHBondContact O-N 3.44Å; G633-F636 PolarHBondContact O-N 3.07Å; G633-F637 WeakPolarHBondContact O-CB 3.31Å; G633-F637 PolarHBondContact O-N 2.91Å
634C95Very high95.1Very high19 Ų1937.7 Ų37.713%0.12819%0.192CC..Hα-helixtrans-63.8-45.4174.6-71.90000111.1L489 A630 F636 F637 Q638L489-C634 HydrophobicContact CD1-CB 3.79Å; A630-C634 WeakPolarHBondContact O-CB 3.43Å; A630-C634 PolarHBondContact O-N 2.67Å; A630-C634 PolarHBondContact O-SG 2.89Å; C634-F636 VanDerWaalsContact C-N 3.34Å; C634-F636 PolarHBondContact O-N 3.44Å; C634-F637 PolarHBondContact O-N 3.4Å; C634-Q638 VanDerWaalsContact O-CB 3.26Å; C634-Q638 WeakPolarHBondContact O-CB 3.35Å; C634-Q638 WeakPolarHBondContact O-CG 3.12Å; C634-Q638 PolarHBondContact O-N 2.88Å; C634-Q638 PolarHBondContact O-OE1 2.85Å
635A95.1Very high94.7Very high55 Ų5540.8 Ų40.846%0.45522%0.216SC..Hα-helixtrans-62.1-41.9177.400000112.2K631 D632 H639K631-A635 PolarHBondContact O-N 2.62Å; D632-A635 PolarHBondContact O-N 3.47Å; A635-H639 PolarHBondContact O-N 2.66Å
636F96.5Very high94.4Very high33 Ų3344.9 Ų44.915%0.14524%0.235CC..Hα-helixtrans-60.6-47.9175.4173.1-100.7000111.9F617 K620 I621 Y624 D632 G633 C634 H639 Y640F617-F636 AromaticContact CD2-CE1 3.69Å; F617-F636 HydrophobicContact CD2-CE1 3.69Å; F617-F636 AromaticContact CD2-CZ 3.56Å; F617-F636 HydrophobicContact CD2-CZ 3.56Å; F617-F636 AromaticContact CE2-CE1 3.53Å; F617-F636 HydrophobicContact CE2-CE1 3.53Å; F617-F636 AromaticContact CE2-CZ 3.8Å; F617-F636 HydrophobicContact CE2-CZ 3.8Å; K620-F636 HydrophobicContact CB-CE1 3.94Å; K620-F636 HydrophobicContact CB-CE2 4.44Å; K620-F636 HydrophobicContact CB-CZ 3.79Å; K620-F636 HydrophobicContact CD-CD2 4.49Å; K620-F636 HydrophobicContact CD-CE1 4.49Å; K620-F636 HydrophobicContact CD-CE2 3.57Å; K620-F636 HydrophobicContact CD-CZ 3.56Å; K620-F636 HydrophobicContact CG-CZ 4.33Å; I621-F636 HydrophobicContact CG1-CE1 4.21Å; Y624-F636 HydrophobicContact CD2-CB 4.43Å; Y624-F636 HydrophobicContact CD2-CD1 4.1Å; Y624-F636 HydrophobicContact CD2-CG 4.39Å; Y624-F636 HydrophobicContact CE2-CB 3.73Å; Y624-F636 AromaticContact CE2-CD1 3.72Å; Y624-F636 HydrophobicContact CE2-CD1 3.72Å; Y624-F636 HydrophobicContact CE2-CD2 4.25Å; Y624-F636 HydrophobicContact CE2-CE1 4.39Å; Y624-F636 AromaticContact CE2-CG 3.62Å; Y624-F636 HydrophobicContact CE2-CG 3.62Å; D632-F636 VanDerWaalsContact O-CB 3.26Å; D632-F636 WeakPolarHBondContact O-CB 3.4Å; D632-F636 PolarHBondContact O-N 2.82Å; G633-F636 PolarHBondContact O-N 3.07Å; C634-F636 VanDerWaalsContact C-N 3.34Å; C634-F636 PolarHBondContact O-N 3.44Å; F636-H639 WeakPolarHBondContact O-CB 3.17Å; F636-H639 PolarHBondContact O-N 3.49Å; F636-Y640 HydrophobicContact CD2-CE2 4.34Å; F636-Y640 HydrophobicContact CE1-CE2 4.41Å; F636-Y640 AromaticContact CE2-CE2 3.73Å; F636-Y640 HydrophobicContact CE2-CE2 3.73Å; F636-Y640 HydrophobicContact CZ-CD2 4.41Å; F636-Y640 AromaticContact CZ-CE2 3.79Å; F636-Y640 HydrophobicContact CZ-CE2 3.79Å; F636-Y640 WeakPolarHBondContact O-CD2 3.34Å
637F96.6Very high94.3Very high1 Ų145.4 Ų45.40%0.00424%0.238CC..Hα-helixtrans-68.8-40.1179.8-173.5-105.4000112.4L489 A492 I493 C496 A570 F617 G633 C634 H639 Y640 C641L489-F637 HydrophobicContact CD2-CD1 4.46Å; A492-F637 HydrophobicContact CB-CE1 3.87Å; A492-F637 HydrophobicContact CB-CZ 4.18Å; A492-F637 WeakPolarHBondContact O-CZ 3.43Å; I493-F637 HydrophobicContact CD1-CB 4.05Å; I493-F637 HydrophobicContact CD1-CD1 4.22Å; I493-F637 HydrophobicContact CD1-CG 4.17Å; I493-F637 HydrophobicContact CG1-CB 3.83Å; I493-F637 HydrophobicContact CG1-CD1 3.47Å; I493-F637 VanDerWaalsContact CG1-CD1 3.47Å; I493-F637 HydrophobicContact CG1-CD2 3.85Å; I493-F637 HydrophobicContact CG1-CE1 3.9Å; I493-F637 HydrophobicContact CG1-CE2 4.25Å; I493-F637 HydrophobicContact CG1-CG 3.43Å; I493-F637 VanDerWaalsContact CG1-CG 3.43Å; I493-F637 HydrophobicContact CG1-CZ 4.27Å; C496-F637 HydrophobicContact CB-CE2 3.56Å; C496-F637 HydrophobicContact CB-CZ 4.02Å; A570-F637 HydrophobicContact CB-CE2 3.9Å; A570-F637 HydrophobicContact CB-CZ 4.2Å; F617-F637 HydrophobicContact CZ-CD2 4.45Å; G633-F637 WeakPolarHBondContact O-CB 3.31Å; G633-F637 PolarHBondContact O-N 2.91Å; C634-F637 PolarHBondContact O-N 3.4Å; F637-H639 PolarHBondContact O-N 3.3Å; F637-Y640 PolarHBondContact O-N 3.09Å; F637-C641 HydrophobicContact CD1-CB 4.47Å; F637-C641 HydrophobicContact CE1-CB 4.16Å; F637-C641 PolarHBondContact O-N 3.45Å
638Q94.1Very high94Very high67 Ų6749 Ų4931%0.31326%0.256SS..Hα-helixtrans-57.3-35.3177.8-79.7173-30.300112.8L489 I557 C634 Y640 C641 Q642L489-Q638 HydrophobicContact CD1-CG 3.7Å; I557-Q638 HydrophobicContact CD1-CB 4.45Å; I557-Q638 HydrophobicContact CD1-CG 4.04Å; C634-Q638 VanDerWaalsContact O-CB 3.26Å; C634-Q638 WeakPolarHBondContact O-CB 3.35Å; C634-Q638 WeakPolarHBondContact O-CG 3.12Å; C634-Q638 PolarHBondContact O-N 2.88Å; C634-Q638 PolarHBondContact O-OE1 2.85Å; Q638-Y640 VanDerWaalsContact C-N 3.29Å; Q638-Y640 PolarHBondContact O-N 3.01Å; Q638-C641 VanDerWaalsContact CA-SG 3.59Å; Q638-C641 PolarHBondContact O-N 2.83Å; Q638-Q642 WeakPolarHBondContact O-CB 3.34Å; Q638-Q642 PolarHBondContact O-N 2.86Å
639H94.2Very high93.8Very high98 Ų9856.2 Ų56.245%0.45429%0.286SS..Hα-helixtrans-56.7-41.8174.8178.770.7000112.9E577 A635 F636 F637E577-H639 IonicContact OE2-NE2 3.01Å; A635-H639 PolarHBondContact O-N 2.66Å; F636-H639 WeakPolarHBondContact O-CB 3.17Å; F636-H639 PolarHBondContact O-N 3.49Å; F637-H639 PolarHBondContact O-N 3.3Å
640Y96.2Very high93.7Very high22 Ų2255.7 Ų55.79%0.08628%0.283CS..Hα-helixtrans-84-28-179.6-69.5-74.6000112.9R573 V574 E577 F617 F636 F637 Q638R573-Y640 HydrophobicContact CB-CD1 4.07Å; R573-Y640 WeakPolarHBondContact CG-O 3.44Å; V574-Y640 HydrophobicContact CB-CE1 4.49Å; V574-Y640 HydrophobicContact CG2-CD1 3.59Å; V574-Y640 HydrophobicContact CG2-CE1 3.7Å; V574-Y640 HydrophobicContact CG2-CG 4.05Å; E577-Y640 PolarHBondContact OE1-OH 2.74Å; E577-Y640 WeakPolarHBondContact OE2-CE1 3.44Å; F617-Y640 HydrophobicContact CD2-CD2 4.19Å; F617-Y640 HydrophobicContact CD2-CE2 4.03Å; F617-Y640 AromaticContact CE2-CD2 3.52Å; F617-Y640 HydrophobicContact CE2-CD2 3.52Å; F617-Y640 AromaticContact CE2-CE2 3.83Å; F617-Y640 HydrophobicContact CE2-CE2 3.83Å; F617-Y640 HydrophobicContact CE2-CG 4.05Å; F617-Y640 HydrophobicContact CZ-CD2 4.4Å; F636-Y640 HydrophobicContact CD2-CE2 4.34Å; F636-Y640 HydrophobicContact CE1-CE2 4.41Å; F636-Y640 AromaticContact CE2-CE2 3.73Å; F636-Y640 HydrophobicContact CE2-CE2 3.73Å; F636-Y640 HydrophobicContact CZ-CD2 4.41Å; F636-Y640 AromaticContact CZ-CE2 3.79Å; F636-Y640 HydrophobicContact CZ-CE2 3.79Å; F636-Y640 WeakPolarHBondContact O-CD2 3.34Å; F637-Y640 PolarHBondContact O-N 3.09Å; Q638-Y640 VanDerWaalsContact C-N 3.29Å; Q638-Y640 PolarHBondContact O-N 3.01Å
641C93.6Very high93.7Very high6 Ų656.7 Ų56.74%0.04128%0.284CS..Hα-helixtrans-88.1-14.6-179.781.40000114.5W560 C566 A570 F637 Q638W560-C641 WeakPolarHBondContact CZ2-O 3.25Å; W560-C641 PolarHBondContact NE1-O 2.92Å; C566-C641 WeakPolarHBondContact SG-CB 3.29Å; A570-C641 HydrophobicContact CB-CB 4.49Å; F637-C641 HydrophobicContact CD1-CB 4.47Å; F637-C641 HydrophobicContact CE1-CB 4.16Å; F637-C641 PolarHBondContact O-N 3.45Å; Q638-C641 VanDerWaalsContact CA-SG 3.59Å; Q638-C641 PolarHBondContact O-N 2.83Å
642Q92Very high93.5Very high86 Ų8653 Ų5340%0.40227%0.269SS..SBendtrans-69.3131.5174-173.6178.61600110.5R573 Q638 L644R573-Q642 PolarHBondContact NH1-O 2.75Å; Q638-Q642 WeakPolarHBondContact O-CB 3.34Å; Q638-Q642 PolarHBondContact O-N 2.86Å; Q642-L644 PolarHBondContact O-N 3.47Å
643L92.6Very high93.4Very high7 Ų749.8 Ų49.84%0.03725%0.252CS..PPolyproline II helixtrans-66.8131.3178.1-97.164.3000111.9M545 Y548 W560 Y569 H647 I648 R651M545-L643 HydrophobicContact CB-CD2 4.29Å; M545-L643 HydrophobicContact CG-CD2 4.18Å; M545-L643 HydrophobicContact SD-CD2 4.36Å; Y548-L643 HydrophobicContact CD1-CB 4.17Å; Y548-L643 HydrophobicContact CD1-CD1 3.86Å; Y548-L643 HydrophobicContact CD1-CD2 3.61Å; Y548-L643 HydrophobicContact CD1-CG 4.07Å; Y548-L643 HydrophobicContact CD2-CD1 3.79Å; Y548-L643 HydrophobicContact CE1-CB 3.83Å; Y548-L643 HydrophobicContact CE1-CD1 4.21Å; Y548-L643 HydrophobicContact CE1-CD2 4.11Å; Y548-L643 HydrophobicContact CE1-CG 4.26Å; Y548-L643 HydrophobicContact CE2-CD1 4.16Å; Y548-L643 HydrophobicContact CG-CD1 3.58Å; Y548-L643 HydrophobicContact CG-CD2 4.05Å; Y548-L643 HydrophobicContact CG-CG 4.29Å; W560-L643 HydrophobicContact CH2-CD1 3.82Å; W560-L643 HydrophobicContact CZ2-CD1 3.34Å; Y569-L643 HydrophobicContact CD1-CD1 4.04Å; Y569-L643 HydrophobicContact CD2-CD1 4.29Å; Y569-L643 HydrophobicContact CE1-CD1 3.7Å; Y569-L643 HydrophobicContact CE1-CG 4.18Å; Y569-L643 HydrophobicContact CE2-CD1 3.96Å; Y569-L643 HydrophobicContact CE2-CG 4.01Å; Y569-L643 HydrophobicContact CG-CD1 4.32Å; Y569-L643 VanDerWaalsContact OH-CA 3.29Å; Y569-L643 WeakPolarHBondContact OH-CA 3.29Å; L643-H647 HydrophobicContact CG-CB 4.42Å; L643-I648 HydrophobicContact CB-CG1 4.14Å; L643-R651 HydrophobicContact CD2-CB 4.26Å
644L91.2Very high93.3Very high38 Ų3849.8 Ų49.820%0.19925%0.251CS..PPolyproline II helixtrans-62.2148.1169.2-65.8178.8000110.8Y569 R573 Q642 E646 H647 I648Y569-L644 PolarHBondContact OH-N 2.71Å; R573-L644 VanDerWaalsContact NH1-CD2 3.33Å; R573-L644 VanDerWaalsContact NH1-CG 3.31Å; Q642-L644 PolarHBondContact O-N 3.47Å; L644-E646 HydrophobicContact CB-CG 4.06Å; L644-E646 VanDerWaalsContact CD1-OE1 3.27Å; L644-E646 WeakPolarHBondContact CD1-OE1 3.2Å; L644-E646 PolarHBondContact O-N 3.34Å; L644-H647 HydrophobicContact CB-CB 4.17Å; L644-H647 CarbonylContact O-C 3.04Å; L644-H647 WeakPolarHBondContact O-CA 3.44Å; L644-H647 WeakPolarHBondContact O-CB 3.44Å; L644-H647 PolarHBondContact O-N 3.35Å; L644-I648 PolarHBondContact O-N 2.88Å
645P88.8Confident93Very high97 Ų9749.9 Ų49.963%0.6325%0.25SS*.Hα-helixtrans-51.8-39177-28.436.2000114.2I648P645-I648 WeakPolarHBondContact O-CB 3.41Å; P645-I648 PolarHBondContact O-N 3.04Å
646E91.3Very high92.6Very high103 Ų10352.4 Ų52.448%0.48126%0.256SS..Hα-helixtrans-67.2-38.1174.358.2-88.7-149.200112.4L644 I648 K649 L650L644-E646 HydrophobicContact CB-CG 4.06Å; L644-E646 VanDerWaalsContact CD1-OE1 3.27Å; L644-E646 WeakPolarHBondContact CD1-OE1 3.2Å; L644-E646 PolarHBondContact O-N 3.34Å; E646-I648 VanDerWaalsContact C-N 3.29Å; E646-I648 PolarHBondContact O-N 3.09Å; E646-K649 WeakPolarHBondContact O-CB 3.36Å; E646-K649 PolarHBondContact O-N 3.46Å; E646-K649 VanDerWaalsContact O-N 3.14Å; E646-L650 PolarHBondContact O-N 3.46Å
647H94.4Very high92.3Very high11 Ų1153.1 Ų53.15%0.05126%0.258CS..Hα-helixtrans-71.2-23.9178-67.1172.3000112.3M545 Y569 L643 L644 K649 L650 R651M545-H647 HydrophobicContact SD-CB 3.82Å; Y569-H647 HydrophobicContact CE2-CB 4.47Å; Y569-H647 AromaticContact CE2-ND1 3.83Å; Y569-H647 AromaticContact CZ-ND1 3.65Å; Y569-H647 WeakPolarHBondContact OH-CB 3.39Å; Y569-H647 PolarHBondContact OH-ND1 2.69Å; L643-H647 HydrophobicContact CG-CB 4.42Å; L644-H647 HydrophobicContact CB-CB 4.17Å; L644-H647 CarbonylContact O-C 3.04Å; L644-H647 WeakPolarHBondContact O-CA 3.44Å; L644-H647 WeakPolarHBondContact O-CB 3.44Å; L644-H647 PolarHBondContact O-N 3.35Å; H647-K649 PolarHBondContact O-N 3.31Å; H647-L650 PolarHBondContact O-N 3.13Å; H647-R651 WeakPolarHBondContact O-CB 3.12Å; H647-R651 PolarHBondContact O-N 3.28Å
648I90.6Very high91.7Very high76 Ų7656.8 Ų56.839%0.3927%0.274SS..Hα-helixtrans-60.5-35.1170.2-64.2174.2000111L643 L644 P645 E646 R651L643-I648 HydrophobicContact CB-CG1 4.14Å; L644-I648 PolarHBondContact O-N 2.88Å; P645-I648 WeakPolarHBondContact O-CB 3.41Å; P645-I648 PolarHBondContact O-N 3.04Å; E646-I648 VanDerWaalsContact C-N 3.29Å; E646-I648 PolarHBondContact O-N 3.09Å; I648-R651 WeakPolarHBondContact O-CB 3.31Å
649K90.3Very high91.1Very high160 Ų16059.2 Ų59.270%0.69628%0.283SS*.Hα-helixtrans-71.4-47.2175.3-61.6-179.6-179177.40111.2E646 H647 R651 Q652E646-K649 WeakPolarHBondContact O-CB 3.36Å; E646-K649 PolarHBondContact O-N 3.46Å; E646-K649 VanDerWaalsContact O-N 3.14Å; H647-K649 PolarHBondContact O-N 3.31Å; K649-R651 PolarHBondContact O-N 3.04Å; K649-Q652 WeakPolarHBondContact O-CB 3.36Å; K649-Q652 PolarHBondContact O-N 2.88Å
650L94.8Very high90.6Very high19 Ų1956.6 Ų56.610%0.09928%0.275CS..Hα-helixtrans-59.6-36.3178.1-54.7-175.6000111.8M545 I585 L597 E646 H647 Q652 I653 V654M545-L650 HydrophobicContact CE-CB 4.02Å; M545-L650 HydrophobicContact SD-CB 4.39Å; I585-L650 HydrophobicContact CB-CD1 4.09Å; I585-L650 HydrophobicContact CD1-CD1 4.25Å; I585-L650 HydrophobicContact CG2-CD1 3.81Å; L597-L650 HydrophobicContact CD1-CB 4.27Å; L597-L650 HydrophobicContact CD2-CD2 3.73Å; E646-L650 PolarHBondContact O-N 3.46Å; H647-L650 PolarHBondContact O-N 3.13Å; L650-Q652 PolarHBondContact O-N 2.98Å; L650-I653 WeakPolarHBondContact O-CA 3.49Å; L650-I653 WeakPolarHBondContact O-CB 3.19Å; L650-I653 PolarHBondContact O-N 3.21Å; L650-V654 WeakPolarHBondContact O-CG2 3.02Å; L650-V654 PolarHBondContact O-N 3.2Å
651R93.7Very high90Very high36 Ų3660.4 Ų60.414%0.13629%0.289CS..Hα-helixtrans-52.7-38.3174.5176.6178.1175.5-74.8-2.6112.5M545 Y548 L643 H647 I648 K649 I653 V654 I655M545-R651 HydrophobicContact CB-CB 3.97Å; M545-R651 HydrophobicContact CB-CG 4.07Å; M545-R651 WeakPolarHBondContact O-CD 3.36Å; M545-R651 WeakPolarHBondContact O-CG 3.33Å; M545-R651 PolarHBondContact O-NE 3.24Å; M545-R651 HydrophobicContact SD-CB 4.44Å; Y548-R651 PolarHBondContact O-NE 3.37Å; Y548-R651 PolarHBondContact O-NH2 2.81Å; L643-R651 HydrophobicContact CD2-CB 4.26Å; H647-R651 WeakPolarHBondContact O-CB 3.12Å; H647-R651 PolarHBondContact O-N 3.28Å; I648-R651 WeakPolarHBondContact O-CB 3.31Å; K649-R651 PolarHBondContact O-N 3.04Å; R651-I653 VanDerWaalsContact C-N 3.33Å; R651-V654 PolarHBondContact O-N 2.75Å; R651-I655 HydrophobicContact CG-CD1 3.97Å; R651-I655 VanDerWaalsContact NH1-CD1 3.25Å; R651-I655 WeakPolarHBondContact O-CG1 3.37Å; R651-I655 PolarHBondContact O-N 3.17Å
652Q90.8Very high89.9Confident97 Ų9761.4 Ų61.445%0.45330%0.296SS..Hα-helixtrans-65.7-39.8178.4-17258.854.300111.3K649 L650 I655 N656K649-Q652 WeakPolarHBondContact O-CB 3.36Å; K649-Q652 PolarHBondContact O-N 2.88Å; L650-Q652 PolarHBondContact O-N 2.98Å; Q652-I655 PolarHBondContact O-N 3.39Å; Q652-N656 PolarHBondContact NE2-OD1 3.01Å; Q652-N656 WeakPolarHBondContact O-CB 3.27Å; Q652-N656 PolarHBondContact O-N 3.18Å; Q652-N656 PolarHBondContact O-ND2 3.07Å; Q652-N656 PolarHBondContact O-OD1 3Å
653I93.9Very high89.9Confident12 Ų1257.8 Ų57.86%0.06228%0.279CS..Hα-helixtrans-64.5-45.6175.2-57.8176.6000109.8E587 P595 L597 L650 R651 I655 N656 R657E587-I653 HydrophobicContact CG-CD1 3.84Å; P595-I653 HydrophobicContact CB-CD1 3.96Å; P595-I653 HydrophobicContact CB-CG1 4.04Å; L597-I653 HydrophobicContact CD1-CB 4.48Å; L597-I653 HydrophobicContact CD1-CG2 4.43Å; L597-I653 HydrophobicContact CD2-CB 4.29Å; L597-I653 HydrophobicContact CD2-CD1 3.84Å; L597-I653 HydrophobicContact CD2-CG2 4.15Å; L597-I653 HydrophobicContact CG-CB 4.22Å; L597-I653 HydrophobicContact CG-CG2 3.79Å; L650-I653 WeakPolarHBondContact O-CA 3.49Å; L650-I653 WeakPolarHBondContact O-CB 3.19Å; L650-I653 PolarHBondContact O-N 3.21Å; R651-I653 VanDerWaalsContact C-N 3.33Å; I653-I655 VanDerWaalsContact C-N 3.31Å; I653-I655 PolarHBondContact O-N 3.37Å; I653-N656 PolarHBondContact O-N 3.46Å; I653-N656 VanDerWaalsContact O-N 3.12Å; I653-R657 HydrophobicContact CG2-CG 4.09Å; I653-R657 WeakPolarHBondContact O-CB 3.41Å; I653-R657 VanDerWaalsContact O-CG 3.24Å; I653-R657 WeakPolarHBondContact O-CG 3.48Å; I653-R657 PolarHBondContact O-N 3.33Å
654V93.2Very high90Very high3 Ų358.4 Ų58.42%0.01828%0.282CS..Hα-helixtrans-55.2-46.3175.31740000111.7F413 V542 T543 M545 E546 L597 L650 R651 R657 K658F413-V654 HydrophobicContact CE2-CG2 4.18Å; F413-V654 HydrophobicContact CZ-CG2 4.22Å; V542-V654 HydrophobicContact CG1-CG2 4Å; T543-V654 WeakPolarHBondContact O-CG1 3.44Å; M545-V654 HydrophobicContact CE-CG2 4.14Å; E546-V654 HydrophobicContact CB-CG1 4.22Å; L597-V654 HydrophobicContact CD1-CG2 3.71Å; L650-V654 WeakPolarHBondContact O-CG2 3.02Å; L650-V654 PolarHBondContact O-N 3.2Å; R651-V654 PolarHBondContact O-N 2.75Å; V654-R657 CarbonylContact O-C 3.55Å; V654-R657 PolarHBondContact O-N 3.19Å; V654-K658 PolarHBondContact O-N 3Å
655I88.6Confident90.3Very high21 Ų2156.6 Ų56.611%0.10827%0.272CS..Hα-helixtrans-64.2-41.2177.9-72.2168.5000111.6F3 E546 R651 Q652 I653 R657 K658F3-I655 HydrophobicContact CD2-CG2 4.14Å; F3-I655 HydrophobicContact CE2-CG2 4.08Å; E546-I655 HydrophobicContact CB-CG1 3.86Å; R651-I655 HydrophobicContact CG-CD1 3.97Å; R651-I655 VanDerWaalsContact NH1-CD1 3.25Å; R651-I655 WeakPolarHBondContact O-CG1 3.37Å; R651-I655 PolarHBondContact O-N 3.17Å; Q652-I655 PolarHBondContact O-N 3.39Å; I653-I655 VanDerWaalsContact C-N 3.31Å; I653-I655 PolarHBondContact O-N 3.37Å; I655-R657 VanDerWaalsContact C-N 3.27Å; I655-R657 PolarHBondContact O-N 2.95Å; I655-K658 WeakPolarHBondContact O-CB 3.34Å; I655-K658 WeakPolarHBondContact O-CD 3.43Å; I655-K658 WeakPolarHBondContact O-CG 3.1Å; I655-K658 PolarHBondContact O-N 3.28Å
656N87.7Confident90.7Very high108 Ų10852.5 Ų52.558%0.57824%0.244SC*.Hα-helixtrans-68-30.9179.3-67.2-7.5000111.9Q652 I653Q652-N656 PolarHBondContact NE2-OD1 3.01Å; Q652-N656 WeakPolarHBondContact O-CB 3.27Å; Q652-N656 PolarHBondContact O-N 3.18Å; Q652-N656 PolarHBondContact O-ND2 3.07Å; Q652-N656 PolarHBondContact O-OD1 3Å; I653-N656 PolarHBondContact O-N 3.46Å; I653-N656 VanDerWaalsContact O-N 3.12Å
657R88.6Confident90.9Very high47 Ų4747.7 Ų47.718%0.17722%0.222CC..THydrogen-bonded Turntrans-91.90179.8-63.3-68.8-180-176.35.8113.7F413 D592 A594 P595 D596 I653 V654 I655 K659F413-R657 HydrophobicContact CE1-CB 3.91Å; F413-R657 HydrophobicContact CE1-CG 4.08Å; F413-R657 HydrophobicContact CZ-CB 3.84Å; F413-R657 HydrophobicContact CZ-CG 4.44Å; D592-R657 IonicContact OD1-CZ 3.83Å; D592-R657 IonicContact OD1-NH1 2.69Å; D592-R657 PolarHBondContact OD1-NH1 3.47Å; D592-R657 VanDerWaalsContact OD1-NH1 3.08Å; D592-R657 IonicContact OD1-NH2 3.98Å; D592-R657 PolarHBondContact OD1-NH2 3.34Å; D592-R657 IonicContact OD2-CZ 3.34Å; D592-R657 IonicContact OD2-NH1 3.07Å; D592-R657 PolarHBondContact OD2-NH1 2.82Å; D592-R657 IonicContact OD2-NH2 3.65Å; A594-R657 PolarHBondContact O-NH2 3.02Å; P595-R657 PolarHBondContact O-NE 3.47Å; P595-R657 PolarHBondContact O-NH2 3.05Å; P595-R657 VanDerWaalsContact O-NH2 3.07Å; D596-R657 IonicContact OD1-NE 2.81Å; I653-R657 HydrophobicContact CG2-CG 4.09Å; I653-R657 WeakPolarHBondContact O-CB 3.41Å; I653-R657 VanDerWaalsContact O-CG 3.24Å; I653-R657 WeakPolarHBondContact O-CG 3.48Å; I653-R657 PolarHBondContact O-N 3.33Å; V654-R657 CarbonylContact O-C 3.55Å; V654-R657 PolarHBondContact O-N 3.19Å; I655-R657 VanDerWaalsContact C-N 3.27Å; I655-R657 PolarHBondContact O-N 2.95Å; R657-K659 PolarHBondContact O-N 2.88Å
658K84.6Confident91Very high78 Ų7847.3 Ų47.334%0.33922%0.221SC..  trans-61.3138.3-175.380.4-175.8-179.9162.90110.8F3 E546 V654 I655F3-K658 HydrophobicContact CE2-CD 4.33Å; E546-K658 WeakPolarHBondContact OE2-CB 3.43Å; V654-K658 PolarHBondContact O-N 3Å; I655-K658 WeakPolarHBondContact O-CB 3.34Å; I655-K658 WeakPolarHBondContact O-CD 3.43Å; I655-K658 WeakPolarHBondContact O-CG 3.1Å; I655-K658 PolarHBondContact O-N 3.28Å
659K81.1Confident91.3Very high118 Ų11844 Ų4451%0.51320%0.204SC..  trans-109.8140168-65.1-168.8-168.2150.20110K410 E412 R657K410-K659 PolarHBondContact NZ-O 3.48Å; E412-K659 WeakPolarHBondContact OE1-CD 3.34Å; E412-K659 WeakPolarHBondContact OE1-CE 3.33Å; E412-K659 IonicContact OE1-NZ 3.37Å; E412-K659 PolarHBondContact OE1-NZ 2.87Å; R657-K659 PolarHBondContact O-N 2.88Å
660P84Confident91.6Very high43 Ų4340.5 Ų40.528%0.27919%0.187SC..PPolyproline II helixtrans-55.7153.7177.224.1-33.7000111.6V7 P9 K410V7-P660 HydrophobicContact CB-CG 4.45Å; V7-P660 HydrophobicContact CG1-CG 4.14Å; P9-P660 HydrophobicContact CB-CB 4Å; P9-P660 HydrophobicContact CB-CG 4.36Å; K410-P660 PolarHBondContact NZ-O 3.48Å; K410-P660 VanDerWaalsContact NZ-O 3.14Å
661R84.6Confident91.6Very high103 Ų10344.9 Ų44.939%0.38921%0.205SC..PPolyproline II helixtrans-74.5145.6171.1-71.1-172.864.8147.1-6.3109.2P9 F106 R405P9-R661 WeakPolarHBondContact CB-O 3.27Å; F106-R661 VanDerWaalsContact CD1-NH1 3.31Å; F106-R661 VanDerWaalsContact CZ-NH1 3.34Å; R405-R661 VanDerWaalsContact NH2-NH2 3.19Å
662P90Very high91.6Very high27 Ų2745.1 Ų45.118%0.17521%0.21CC..PPolyproline II helixtrans-66.1149.2177.728.5-34.8000111P10 H12 F664P10-P662 HydrophobicContact CB-CB 4.22Å; P10-P662 CarbonylContact O-C 3.56Å; P10-P662 WeakPolarHBondContact O-CA 3.42Å; P10-P662 WeakPolarHBondContact O-CB 3.37Å; H12-P662 WeakPolarHBondContact CD2-CB 3.4Å; P662-F664 HydrophobicContact CG-CZ 4.42Å
663I93.6Very high91.7Very high10 Ų1046 Ų465%0.05123%0.227CC..EExtended strand (participates in β ladder)trans-100152.3164.661.1176000109.4P9 P10 V11 H12 A94 Y685 V688P9-I663 HydrophobicContact CB-CG2 4.35Å; P9-I663 HydrophobicContact CG-CD1 4Å; P9-I663 HydrophobicContact CG-CG1 4.06Å; P9-I663 HydrophobicContact CG-CG2 3.91Å; P10-I663 PolarHBondContact O-N 3.45Å; V11-I663 WeakPolarHBondContact CA-O 3.49Å; V11-I663 HydrophobicContact CG2-CD1 4.16Å; V11-I663 HydrophobicContact CG2-CG1 3.95Å; H12-I663 PolarHBondContact N-O 3.39Å; A94-I663 HydrophobicContact CB-CD1 3.69Å; I663-Y685 HydrophobicContact CD1-CD1 4.14Å; I663-Y685 HydrophobicContact CD1-CE1 4.25Å; I663-V688 HydrophobicContact CD1-CG2 3.95Å; I663-V688 HydrophobicContact CG1-CG2 4.37Å
664F94.7Very high91.5Very high20 Ų2052.9 Ų52.99%0.08826%0.259CS..EExtended strand (participates in β ladder)trans-108.1128.9-175.4-65-85.3000111.6H12 L14 I375 V401 A404 R405 P662H12-F664 HydrophobicContact CB-CD1 4.08Å; H12-F664 HydrophobicContact CB-CE1 4.12Å; H12-F664 CarbonylContact O-C 3.6Å; H12-F664 WeakPolarHBondContact O-CA 3.47Å; L14-F664 HydrophobicContact CD1-CB 4.49Å; L14-F664 HydrophobicContact CD2-CD1 3.42Å; L14-F664 VanDerWaalsContact CD2-CD1 3.42Å; L14-F664 HydrophobicContact CD2-CE1 3.82Å; L14-F664 HydrophobicContact CD2-CG 4.19Å; L14-F664 HydrophobicContact CG-CB 4.17Å; L14-F664 HydrophobicContact CG-CD1 3.88Å; L14-F664 HydrophobicContact CG-CG 4.29Å; I375-F664 HydrophobicContact CB-CD2 4.38Å; I375-F664 HydrophobicContact CD1-CB 3.76Å; I375-F664 HydrophobicContact CD1-CD2 3.86Å; I375-F664 HydrophobicContact CD1-CG 3.93Å; I375-F664 HydrophobicContact CG1-CD2 4.27Å; V401-F664 HydrophobicContact CG1-CE1 4.36Å; V401-F664 HydrophobicContact CG1-CZ 4.08Å; A404-F664 HydrophobicContact CB-CD1 4.37Å; A404-F664 HydrophobicContact CB-CE1 3.84Å; R405-F664 HydrophobicContact CG-CE1 4.41Å; R405-F664 HydrophobicContact CG-CZ 3.81Å; P662-F664 HydrophobicContact CG-CZ 4.42Å
665V96.1Very high91.6Very high0 Ų053.7 Ų53.70%027%0.268CS..EExtended strand (participates in β ladder)trans-80.9116.4160.5-179.80000107V11 H12 Y13 L14 Y681 V688V11-V665 HydrophobicContact CG1-CG2 3.41Å; V11-V665 VanDerWaalsContact CG1-CG2 3.41Å; H12-V665 PolarHBondContact O-N 3.47Å; Y13-V665 HydrophobicContact CD2-CB 4.08Å; Y13-V665 HydrophobicContact CD2-CG1 3.88Å; Y13-V665 WeakPolarHBondContact CD2-O 3.26Å; Y13-V665 HydrophobicContact CE2-CG1 4.37Å; L14-V665 PolarHBondContact N-O 2.98Å; L14-V665 VanDerWaalsContact N-O 3.08Å; V665-Y681 HydrophobicContact CG1-CD2 4.46Å; V665-Y681 HydrophobicContact CG1-CG 4.39Å; V665-V688 HydrophobicContact CG2-CB 4.28Å; V665-V688 HydrophobicContact CG2-CG2 3.34Å
666Q97.2Very high92Very high11 Ų1153.2 Ų53.25%0.05127%0.265CS..PPolyproline II helixtrans-96.2146.8173.4-57-170.137.900109.6L14 W39 F370 I375L14-Q666 HydrophobicContact CD1-CG 4.09Å; W39-Q666 HydrophobicContact CZ2-CB 4.44Å; F370-Q666 PolarHBondContact O-NE2 3.23Å; I375-Q666 HydrophobicContact CD1-CG 4.34Å
667P96.9Very high92.4Very high2 Ų251.9 Ų51.91%0.01326%0.256CS..PPolyproline II helixtrans-62.6158.2175.228.6-35.2000111.8V16 L678 I679V16-P667 HydrophobicContact CG1-CG 3.91Å; P667-L678 HydrophobicContact CB-CD1 3.53Å; P667-L678 HydrophobicContact CB-CG 4.01Å; P667-L678 HydrophobicContact CG-CD1 3.86Å; P667-I679 CarbonylContact C-O 3.4Å; P667-I679 VanDerWaalsContact CA-O 3.29Å; P667-I679 WeakPolarHBondContact CA-O 3.43Å; P667-I679 WeakPolarHBondContact CB-O 3.35Å
668G96.8Very high92.8Very high2 Ų251.3 Ų51.32%0.02126%0.256CS..EExtended strand (participates in β ladder)trans-97.7162.4168.400000109.9I679G668-I679 PolarHBondContact N-O 3.25Å; G668-I679 PolarHBondContact O-N 2.76Å
669L97.1Very high93.3Very high8 Ų849.2 Ų49.24%0.04225%0.248CC..EExtended strand (participates in β ladder)trans-125.7135.6170.2-59.6177.6000108.8F20 V31 F32 T35 V368 V676 E677 L678F20-L669 HydrophobicContact CE2-CD2 3.77Å; F20-L669 HydrophobicContact CZ-CD2 3.93Å; V31-L669 HydrophobicContact CG1-CD1 3.78Å; F32-L669 HydrophobicContact CD2-CB 3.79Å; F32-L669 HydrophobicContact CD2-CD1 4.43Å; F32-L669 HydrophobicContact CE2-CB 4.19Å; T35-L669 HydrophobicContact CG2-CD1 3.86Å; T35-L669 HydrophobicContact CG2-CG 4.49Å; V368-L669 HydrophobicContact CG1-CD1 4.23Å; V368-L669 HydrophobicContact CG1-CD2 4.3Å; L669-V676 HydrophobicContact CB-CG1 4.14Å; L669-V676 HydrophobicContact CD2-CG1 4.32Å; L669-E677 WeakPolarHBondContact CA-O 3.17Å; L669-L678 HydrophobicContact CD2-CD1 3.68Å
670R95.4Very high94Very high86 Ų8646.9 Ų46.933%0.32525%0.247SC..EExtended strand (participates in β ladder)trans-129.2132.7176.2-175.1178.2-67.21408110T672 E677 I679 D698R670-T672 HydrophobicContact CG-CG2 4.28Å; R670-E677 PolarHBondContact N-O 3.1Å; R670-E677 PolarHBondContact O-N 2.97Å; R670-I679 HydrophobicContact CB-CD1 4.4Å; R670-I679 HydrophobicContact CB-CG1 4.24Å; R670-D698 IonicContact CZ-OD1 3.95Å; R670-D698 IonicContact CZ-OD2 3.97Å; R670-D698 VanDerWaalsContact NE-CG 3.31Å; R670-D698 IonicContact NE-OD1 3.36Å; R670-D698 PolarHBondContact NE-OD1 3.19Å; R670-D698 IonicContact NE-OD2 3.72Å; R670-D698 PolarHBondContact NE-OD2 3.34Å; R670-D698 IonicContact NH2-OD1 3.48Å; R670-D698 PolarHBondContact NH2-OD1 3.25Å; R670-D698 IonicContact NH2-OD2 3.37Å; R670-D698 PolarHBondContact NH2-OD2 3.49Å
671K94.4Very high94.6Very high111 Ų11145.8 Ų45.848%0.48324%0.237SC..EExtended strand (participates in β ladder)trans-85.7120.6172.9-163.4163.6-170.4157.60109.4D29 F32D29-K671 IonicContact OD1-NZ 3.59Å; D29-K671 PolarHBondContact OD1-NZ 3.34Å; F32-K671 HydrophobicContact CE1-CB 4.46Å; F32-K671 HydrophobicContact CE1-CD 4.42Å; F32-K671 HydrophobicContact CE2-CB 4.21Å; F32-K671 HydrophobicContact CZ-CB 4.04Å
672T93.7Very high95.1Very high40 Ų4044.7 Ų44.725%0.24524%0.243CC..EExtended strand (participates in β ladder)trans-117.7178.4177.476.60000110.3R670 H674 G675 E677R670-T672 HydrophobicContact CG-CG2 4.28Å; T672-H674 PolarHBondContact O-N 3.47Å; T672-H674 VanDerWaalsContact O-N 3.17Å; T672-H674 PolarHBondContact OG1-N 3.18Å; T672-G675 PolarHBondContact N-O 2.78Å; T672-G675 PolarHBondContact O-N 2.98Å; T672-G675 PolarHBondContact OG1-O 3.35Å; T672-E677 WeakPolarHBondContact CB-OE1 3.33Å; T672-E677 VanDerWaalsContact CG2-CD 3.41Å; T672-E677 HydrophobicContact CG2-CG 4.15Å; T672-E677 VanDerWaalsContact CG2-OE1 3.27Å; T672-E677 WeakPolarHBondContact CG2-OE1 3.41Å; T672-E677 PolarHBondContact OG1-OE1 3.45Å
673S92.6Very high95.4Very high115 Ų11547.1 Ų47.180%0.80426%0.258SS*.THydrogen-bonded Turntrans-63-15.1172.453.20000113.8
674H90.5Very high95.5Very high158 Ų15849.6 Ų49.673%0.73127%0.273SS*.THydrogen-bonded Turntrans-99.3-2.7-179.1-61.5-60.9000113.6T672T672-H674 PolarHBondContact O-N 3.47Å; T672-H674 VanDerWaalsContact O-N 3.17Å; T672-H674 PolarHBondContact OG1-N 3.18Å
675G94.8Very high95.6Very high20 Ų2050.4 Ų50.421%0.20628%0.276CS..EExtended strand (participates in β ladder)trans121.3-157.6-176.200000111.6T672T672-G675 PolarHBondContact N-O 2.78Å; T672-G675 PolarHBondContact O-N 2.98Å; T672-G675 PolarHBondContact OG1-O 3.35Å
676V97.2Very high95.7Very high10 Ų1051.3 Ų51.36%0.06128%0.282CS..EExtended strand (participates in β ladder)trans-91.6126.2177.4-179.20000110F20 K28 F32 L669F20-V676 HydrophobicContact CZ-CG1 4.17Å; K28-V676 HydrophobicContact CB-CB 4.12Å; F32-V676 HydrophobicContact CB-CG1 4Å; F32-V676 HydrophobicContact CB-CG2 3.77Å; F32-V676 HydrophobicContact CD2-CG1 3.77Å; F32-V676 HydrophobicContact CD2-CG2 4.21Å; F32-V676 HydrophobicContact CG-CG1 4.26Å; F32-V676 HydrophobicContact CG-CG2 4.06Å; L669-V676 HydrophobicContact CB-CG1 4.14Å; L669-V676 HydrophobicContact CD2-CG1 4.32Å
677E96.4Very high95.7Very high81 Ų8151 Ų5138%0.37928%0.281SS..EExtended strand (participates in β ladder)trans-106.9140.9179.4-67.6173-160.700111.1L669 R670 T672L669-E677 WeakPolarHBondContact CA-O 3.17Å; R670-E677 PolarHBondContact N-O 3.1Å; R670-E677 PolarHBondContact O-N 2.97Å; T672-E677 WeakPolarHBondContact CB-OE1 3.33Å; T672-E677 VanDerWaalsContact CG2-CD 3.41Å; T672-E677 HydrophobicContact CG2-CG 4.15Å; T672-E677 VanDerWaalsContact CG2-OE1 3.27Å; T672-E677 WeakPolarHBondContact CG2-OE1 3.41Å; T672-E677 PolarHBondContact OG1-OE1 3.45Å
678L96.4Very high95.7Very high35 Ų3550.9 Ų50.918%0.18328%0.281CS..EExtended strand (participates in β ladder)trans-86.7126173.2-171.678.6000109.6V16 F20 P667 L669V16-L678 HydrophobicContact CG1-CD1 3.9Å; V16-L678 HydrophobicContact CG1-CD2 3.91Å; F20-L678 HydrophobicContact CB-CD2 4.27Å; F20-L678 HydrophobicContact CD1-CB 3.71Å; F20-L678 HydrophobicContact CD1-CD1 4.48Å; F20-L678 HydrophobicContact CD1-CD2 4.43Å; F20-L678 HydrophobicContact CD1-CG 4.44Å; F20-L678 HydrophobicContact CD2-CD1 4.26Å; F20-L678 HydrophobicContact CE1-CB 3.78Å; F20-L678 HydrophobicContact CG-CB 4.27Å; F20-L678 HydrophobicContact CG-CD1 4.21Å; F20-L678 HydrophobicContact CG-CD2 4.4Å; F20-L678 HydrophobicContact CZ-CB 4.4Å; P667-L678 HydrophobicContact CB-CD1 3.53Å; P667-L678 HydrophobicContact CB-CG 4.01Å; P667-L678 HydrophobicContact CG-CD1 3.86Å; L669-L678 HydrophobicContact CD2-CD1 3.68Å
679I96.6Very high95.8Very high34 Ų3450.8 Ų50.817%0.17428%0.28CS..EExtended strand (participates in β ladder)trans-105.4115.5178.7-50-57.6000109.2P667 G668 R670 Y681P667-I679 CarbonylContact C-O 3.4Å; P667-I679 VanDerWaalsContact CA-O 3.29Å; P667-I679 WeakPolarHBondContact CA-O 3.43Å; P667-I679 WeakPolarHBondContact CB-O 3.35Å; G668-I679 PolarHBondContact N-O 3.25Å; G668-I679 PolarHBondContact O-N 2.76Å; R670-I679 HydrophobicContact CB-CD1 4.4Å; R670-I679 HydrophobicContact CB-CG1 4.24Å; I679-Y681 HydrophobicContact CB-CE2 4.33Å; I679-Y681 HydrophobicContact CG2-CE1 4.16Å; I679-Y681 HydrophobicContact CG2-CE2 4.03Å; I679-Y681 WeakPolarHBondContact O-CE2 3.44Å
680S95.6Very high95.8Very high69 Ų6951.8 Ų51.848%0.48328%0.284SS..  trans-89.6148.4174.3-56.90000111.1Y13Y13-S680 WeakPolarHBondContact OH-CA 3.41Å; Y13-S680 VanDerWaalsContact OH-CB 3.32Å; Y13-S680 WeakPolarHBondContact OH-CB 3.43Å; Y13-S680 PolarHBondContact OH-OG 3.28Å
681Y96.1Very high95.8Very high20 Ų2047.7 Ų47.78%0.07827%0.269CS..  trans-125.6150.5179.9-63.1-83.6000110.2V665 I679 Q690 S691 D694V665-Y681 HydrophobicContact CG1-CD2 4.46Å; V665-Y681 HydrophobicContact CG1-CG 4.39Å; I679-Y681 HydrophobicContact CB-CE2 4.33Å; I679-Y681 HydrophobicContact CG2-CE1 4.16Å; I679-Y681 HydrophobicContact CG2-CE2 4.03Å; I679-Y681 WeakPolarHBondContact O-CE2 3.44Å; Y681-Q690 HydrophobicContact CD1-CB 4.41Å; Y681-Q690 HydrophobicContact CD1-CG 4.46Å; Y681-Q690 HydrophobicContact CE1-CB 4.49Å; Y681-Q690 HydrophobicContact CE1-CG 4.2Å; Y681-S691 VanDerWaalsContact CD2-CB 3.43Å; Y681-D694 HydrophobicContact CE1-CB 4.48Å; Y681-D694 VanDerWaalsContact CE1-OD2 3.25Å; Y681-D694 WeakPolarHBondContact CE1-OD2 3.43Å; Y681-D694 WeakPolarHBondContact OH-CB 3.5Å; Y681-D694 PolarHBondContact OH-OD2 3.06Å
682P95.6Very high96Very high80 Ų8042.9 Ų42.952%0.51925%0.248SC..  trans-59.1147.7175.7-23.333.9000112.7T684P682-T684 HydrophobicContact CB-CG2 4.26Å; P682-T684 PolarHBondContact O-N 3.11Å
683T95.4Very high96.1Very high78 Ų7841.2 Ų41.248%0.47924%0.238SC..SBendtrans-75.560.1174.750.80000112Y13Y13-T683 VanDerWaalsContact CB-CG2 3.43Å
684T96.3Very high96.3Very high61 Ų6137.4 Ų37.437%0.37421%0.208SC..SBendtrans-140.3164-176.567.90000110.7P682 G687 V688P682-T684 HydrophobicContact CB-CG2 4.26Å; P682-T684 PolarHBondContact O-N 3.11Å; T684-G687 WeakPolarHBondContact O-CA 3.29Å; T684-G687 PolarHBondContact O-N 3.47Å; T684-G687 PolarHBondContact OG1-N 3.22Å; T684-V688 PolarHBondContact O-N 3.34Å
685Y97.3Very high96.6Very high37 Ų3730.2 Ų30.215%0.14518%0.175CC..Hα-helixtrans-59.4-42.6174.9-52.4-65.1000113.1P8 P9 V11 T87 S91 A94 I663 G687 V688 I689P8-Y685 WeakPolarHBondContact CA-OH 3.38Å; P8-Y685 HydrophobicContact CB-CE2 4.3Å; P8-Y685 WeakPolarHBondContact CB-OH 3.41Å; P9-Y685 HydrophobicContact CG-CE1 4.19Å; P9-Y685 VanDerWaalsContact O-CE1 3.3Å; P9-Y685 WeakPolarHBondContact O-CE1 3.48Å; P9-Y685 PolarHBondContact O-OH 3.28Å; V11-Y685 HydrophobicContact CG2-CD1 3.69Å; V11-Y685 HydrophobicContact CG2-CE1 3.58Å; V11-Y685 HydrophobicContact CG2-CG 4.44Å; T87-Y685 HydrophobicContact CG2-CD2 4.39Å; T87-Y685 HydrophobicContact CG2-CE2 3.84Å; S91-Y685 VanDerWaalsContact CB-CE1 3.49Å; A94-Y685 HydrophobicContact CB-CD1 3.85Å; A94-Y685 HydrophobicContact CB-CG 4.47Å; I663-Y685 HydrophobicContact CD1-CD1 4.14Å; I663-Y685 HydrophobicContact CD1-CE1 4.25Å; Y685-G687 VanDerWaalsContact C-N 3.26Å; Y685-G687 PolarHBondContact O-N 3.21Å; Y685-V688 PolarHBondContact O-N 2.94Å; Y685-I689 WeakPolarHBondContact O-CG1 3.35Å; Y685-I689 PolarHBondContact O-N 3.26Å
686P97.1Very high96.7Very high20 Ų2029.5 Ų29.513%0.1317%0.166CC..Hα-helixtrans-55.2-39.7168.7-27.334.1000113.8V69 N70 L90 I689 Q690V69-P686 HydrophobicContact CB-CB 4.25Å; V69-P686 HydrophobicContact CG1-CB 3.78Å; V69-P686 HydrophobicContact CG1-CG 4.27Å; N70-P686 WeakPolarHBondContact OD1-CB 3.42Å; L90-P686 HydrophobicContact CD1-CG 3.96Å; P686-I689 PolarHBondContact O-N 3.2Å; P686-Q690 WeakPolarHBondContact O-CB 3.34Å; P686-Q690 PolarHBondContact O-N 2.78Å
687G97Very high96.6Very high3 Ų332 Ų323%0.03118%0.184CC..Hα-helixtrans-63.7-41.4176.700000113.2T684 Y685 S691T684-G687 WeakPolarHBondContact O-CA 3.29Å; T684-G687 PolarHBondContact O-N 3.47Å; T684-G687 PolarHBondContact OG1-N 3.22Å; Y685-G687 VanDerWaalsContact C-N 3.26Å; Y685-G687 PolarHBondContact O-N 3.21Å; G687-S691 WeakPolarHBondContact O-CB 3.44Å; G687-S691 PolarHBondContact O-N 3.44Å
688V97.6Very high96.5Very high1 Ų130 Ų301%0.00618%0.176CC..Hα-helixtrans-59-54.7172.5177.80000109.8V11 A94 I663 V665 T684 Y685 Q690 S691 F692V11-V688 HydrophobicContact CG1-CG2 3.81Å; A94-V688 HydrophobicContact CB-CB 3.95Å; A94-V688 HydrophobicContact CB-CG1 3.91Å; A94-V688 HydrophobicContact CB-CG2 4.42Å; I663-V688 HydrophobicContact CD1-CG2 3.95Å; I663-V688 HydrophobicContact CG1-CG2 4.37Å; V665-V688 HydrophobicContact CG2-CB 4.28Å; V665-V688 HydrophobicContact CG2-CG2 3.34Å; T684-V688 PolarHBondContact O-N 3.34Å; Y685-V688 PolarHBondContact O-N 2.94Å; V688-Q690 PolarHBondContact O-N 2.99Å; V688-S691 PolarHBondContact O-N 3.41Å; V688-S691 PolarHBondContact O-OG 3.29Å; V688-F692 HydrophobicContact CG1-CD2 4.3Å; V688-F692 HydrophobicContact CG1-CE2 4.23Å; V688-F692 WeakPolarHBondContact O-CD2 3.36Å; V688-F692 PolarHBondContact O-N 3.36Å
689I98.1Very high96.5Very high0 Ų028.8 Ų28.80%017%0.169CC..Hα-helixtrans-58.7-49.8-176.5-65.5166.5000110.7V60 F64 V69 L90 F93 A94 L97 Y685 P686 S691 F692 V693V60-I689 HydrophobicContact CG1-CG2 4.35Å; F64-I689 HydrophobicContact CB-CG2 3.94Å; F64-I689 HydrophobicContact CD1-CG2 4.46Å; F64-I689 HydrophobicContact CD2-CG2 3.43Å; F64-I689 VanDerWaalsContact CD2-CG2 3.43Å; F64-I689 HydrophobicContact CE2-CD1 4.19Å; F64-I689 HydrophobicContact CE2-CG2 3.99Å; F64-I689 HydrophobicContact CG-CG2 3.7Å; F64-I689 HydrophobicContact CZ-CD1 4.46Å; V69-I689 HydrophobicContact CG1-CD1 4.4Å; V69-I689 HydrophobicContact CG2-CB 4.13Å; V69-I689 HydrophobicContact CG2-CG2 3.61Å; L90-I689 HydrophobicContact CB-CD1 4.27Å; L90-I689 HydrophobicContact CD2-CD1 3.83Å; F93-I689 HydrophobicContact CB-CD1 4.12Å; A94-I689 HydrophobicContact CB-CG1 4.37Å; L97-I689 HydrophobicContact CD1-CB 4.31Å; L97-I689 HydrophobicContact CD1-CG1 4Å; Y685-I689 WeakPolarHBondContact O-CG1 3.35Å; Y685-I689 PolarHBondContact O-N 3.26Å; P686-I689 PolarHBondContact O-N 3.2Å; I689-S691 VanDerWaalsContact C-N 3.29Å; I689-S691 PolarHBondContact O-N 2.86Å; I689-F692 PolarHBondContact O-N 3.31Å; I689-F692 VanDerWaalsContact O-N 3.12Å; I689-V693 HydrophobicContact CG2-CG2 4.39Å; I689-V693 WeakPolarHBondContact O-CG2 3.4Å; I689-V693 PolarHBondContact O-N 2.91Å
690Q97Very high96.4Very high29 Ų2931.4 Ų31.414%0.13619%0.189CC..Hα-helixtrans-61.3-38.3179.6-165.467.560.700111.7N68 Y681 P686 V688 F692 V693 D694N68-Q690 PolarHBondContact ND2-OE1 2.85Å; Y681-Q690 HydrophobicContact CD1-CB 4.41Å; Y681-Q690 HydrophobicContact CD1-CG 4.46Å; Y681-Q690 HydrophobicContact CE1-CB 4.49Å; Y681-Q690 HydrophobicContact CE1-CG 4.2Å; P686-Q690 WeakPolarHBondContact O-CB 3.34Å; P686-Q690 PolarHBondContact O-N 2.78Å; V688-Q690 PolarHBondContact O-N 2.99Å; Q690-F692 PolarHBondContact O-N 3.17Å; Q690-V693 PolarHBondContact O-N 3.04Å; Q690-D694 PolarHBondContact NE2-OD1 3.05Å; Q690-D694 WeakPolarHBondContact O-CB 3.36Å; Q690-D694 PolarHBondContact O-N 3.36Å
691S97.1Very high96.5Very high0 Ų029.3 Ų29.30%017%0.172CC..Hα-helixtrans-60.7-32177.479.60000113.3Y681 G687 V688 I689 R695Y681-S691 VanDerWaalsContact CD2-CB 3.43Å; G687-S691 WeakPolarHBondContact O-CB 3.44Å; G687-S691 PolarHBondContact O-N 3.44Å; V688-S691 PolarHBondContact O-N 3.41Å; V688-S691 PolarHBondContact O-OG 3.29Å; I689-S691 VanDerWaalsContact C-N 3.29Å; I689-S691 PolarHBondContact O-N 2.86Å; S691-R695 WeakPolarHBondContact O-CB 3.44Å; S691-R695 PolarHBondContact O-N 2.74Å; S691-R695 PolarHBondContact O-NH2 3.37Å
692F97.5Very high96.6Very high9 Ų928.3 Ų28.34%0.03917%0.168CC..Hα-helixtrans-79.8-42.2174.7-83.2-99.8000111.6W39 F57 L97 F100 V688 I689 Q690 R695 Y696W39-F692 HydrophobicContact CH2-CE1 4.5Å; W39-F692 HydrophobicContact CH2-CZ 4.38Å; W39-F692 AromaticContact CZ3-CE1 3.89Å; W39-F692 HydrophobicContact CZ3-CE1 3.89Å; W39-F692 HydrophobicContact CZ3-CZ 4.16Å; F57-F692 AromaticContact CE2-CD1 3.95Å; F57-F692 HydrophobicContact CE2-CD1 3.95Å; F57-F692 HydrophobicContact CE2-CE1 4.39Å; F57-F692 HydrophobicContact CZ-CD1 4.42Å; L97-F692 HydrophobicContact CB-CD1 4.3Å; L97-F692 HydrophobicContact CB-CD2 3.95Å; L97-F692 HydrophobicContact CB-CE1 4.27Å; L97-F692 HydrophobicContact CB-CE2 3.92Å; L97-F692 HydrophobicContact CB-CG 4.14Å; L97-F692 HydrophobicContact CB-CZ 4.08Å; L97-F692 HydrophobicContact CD1-CB 4.05Å; L97-F692 HydrophobicContact CD1-CD2 4.14Å; L97-F692 HydrophobicContact CD1-CG 4.13Å; L97-F692 HydrophobicContact CD2-CB 4.35Å; L97-F692 HydrophobicContact CD2-CD1 4.24Å; L97-F692 HydrophobicContact CD2-CG 4.25Å; L97-F692 HydrophobicContact CG-CG 4.4Å; L97-F692 VanDerWaalsContact O-CZ 3.29Å; L97-F692 WeakPolarHBondContact O-CZ 3.46Å; F100-F692 HydrophobicContact CZ-CE1 4.38Å; V688-F692 HydrophobicContact CG1-CD2 4.3Å; V688-F692 HydrophobicContact CG1-CE2 4.23Å; V688-F692 WeakPolarHBondContact O-CD2 3.36Å; V688-F692 PolarHBondContact O-N 3.36Å; I689-F692 PolarHBondContact O-N 3.31Å; I689-F692 VanDerWaalsContact O-N 3.12Å; Q690-F692 PolarHBondContact O-N 3.17Å; F692-R695 PolarHBondContact O-N 2.89Å; F692-Y696 HydrophobicContact CD1-CE2 4.36Å; F692-Y696 VanDerWaalsContact O-CD2 3.25Å; F692-Y696 WeakPolarHBondContact O-CD2 3.2Å; F692-Y696 PolarHBondContact O-N 3.46Å
693V96.8Very high96.6Very high6 Ų629.4 Ų29.44%0.03617%0.166CC..Hα-helixtrans-60.7-50.7178.9174.20000111.4F64 H65 I689 Q690 R695 Y696 S697F64-V693 HydrophobicContact CB-CG2 3.75Å; H65-V693 HydrophobicContact CB-CG1 4.1Å; I689-V693 HydrophobicContact CG2-CG2 4.39Å; I689-V693 WeakPolarHBondContact O-CG2 3.4Å; I689-V693 PolarHBondContact O-N 2.91Å; Q690-V693 PolarHBondContact O-N 3.04Å; V693-R695 VanDerWaalsContact C-N 3.28Å; V693-R695 PolarHBondContact O-N 2.74Å; V693-Y696 PolarHBondContact O-N 2.85Å; V693-S697 PolarHBondContact O-N 3.04Å; V693-S697 PolarHBondContact O-OG 3.32Å
694D96.4Very high96.8Very high34 Ų3431.6 Ų31.618%0.18217%0.169CC..Hα-helixtrans-61.2-41.2-179.6-74.60.7000110.8Y681 Q690 Y696 S697 D698Y681-D694 HydrophobicContact CE1-CB 4.48Å; Y681-D694 VanDerWaalsContact CE1-OD2 3.25Å; Y681-D694 WeakPolarHBondContact CE1-OD2 3.43Å; Y681-D694 WeakPolarHBondContact OH-CB 3.5Å; Y681-D694 PolarHBondContact OH-OD2 3.06Å; Q690-D694 PolarHBondContact NE2-OD1 3.05Å; Q690-D694 WeakPolarHBondContact O-CB 3.36Å; Q690-D694 PolarHBondContact O-N 3.36Å; D694-Y696 PolarHBondContact O-N 2.66Å; D694-S697 CarbonylContact O-C 3.52Å; D694-S697 WeakPolarHBondContact O-CA 3.4Å; D694-S697 WeakPolarHBondContact O-CB 3.14Å; D694-S697 PolarHBondContact O-N 3.5Å; D694-D698 WeakPolarHBondContact O-CB 3.48Å; D694-D698 PolarHBondContact O-N 3.4Å
695R96.2Very high96.9Very high8 Ų828.7 Ų28.73%0.0315%0.151CC..Hα-helixtrans-58.2-46.3-177.9177.2-173.2-67.5141.214.5113.5W39 S691 F692 V693 S697 L699W39-R695 HydrophobicContact CD2-CG 4.36Å; W39-R695 VanDerWaalsContact CG-CD 3.48Å; W39-R695 HydrophobicContact CG-CG 4.05Å; W39-R695 VanDerWaalsContact CH2-CZ 3.47Å; W39-R695 VanDerWaalsContact CZ2-NE 3.32Å; W39-R695 VanDerWaalsContact CZ3-NH1 3.35Å; S691-R695 WeakPolarHBondContact O-CB 3.44Å; S691-R695 PolarHBondContact O-N 2.74Å; S691-R695 PolarHBondContact O-NH2 3.37Å; F692-R695 PolarHBondContact O-N 2.89Å; V693-R695 VanDerWaalsContact C-N 3.28Å; V693-R695 PolarHBondContact O-N 2.74Å; R695-S697 PolarHBondContact O-N 2.86Å; R695-L699 HydrophobicContact CG-CD1 3.95Å; R695-L699 WeakPolarHBondContact O-CB 3.26Å; R695-L699 WeakPolarHBondContact O-CG 3.41Å; R695-L699 PolarHBondContact O-N 3.43Å; R695-L699 VanDerWaalsContact O-N 3.07Å
696Y96.9Very high96.9Very high4 Ų427.5 Ų27.52%0.01615%0.147CC..Hα-helixtrans-77.7-10.6176.2-65.7-81.6000113.3W39 L43 F57 F692 V693 D694 G702 Q703 L706W39-Y696 PolarHBondContact O-OH 3.21Å; L43-Y696 HydrophobicContact CD1-CE1 3.8Å; L43-Y696 HydrophobicContact CD2-CE1 3.86Å; L43-Y696 HydrophobicContact CD2-CE2 4.44Å; L43-Y696 WeakPolarHBondContact CD2-OH 3.21Å; L43-Y696 HydrophobicContact CG-CE1 3.92Å; F57-Y696 HydrophobicContact CE1-CE2 4.31Å; F57-Y696 HydrophobicContact CE2-CE2 4.45Å; F57-Y696 HydrophobicContact CZ-CD2 4.11Å; F57-Y696 AromaticContact CZ-CE2 3.52Å; F57-Y696 HydrophobicContact CZ-CE2 3.52Å; F692-Y696 HydrophobicContact CD1-CE2 4.36Å; F692-Y696 VanDerWaalsContact O-CD2 3.25Å; F692-Y696 WeakPolarHBondContact O-CD2 3.2Å; F692-Y696 PolarHBondContact O-N 3.46Å; V693-Y696 PolarHBondContact O-N 2.85Å; D694-Y696 PolarHBondContact O-N 2.66Å; Y696-G702 CarbonylContact O-C 3.59Å; Y696-G702 VanDerWaalsContact O-CA 3.29Å; Y696-G702 WeakPolarHBondContact O-CA 3.45Å; Y696-Q703 PolarHBondContact O-N 3.25Å; Y696-L706 HydrophobicContact CD1-CD2 4.02Å; Y696-L706 HydrophobicContact CD1-CG 4.3Å; Y696-L706 HydrophobicContact CD2-CD2 4.41Å; Y696-L706 HydrophobicContact CE1-CD2 4.5Å; Y696-L706 HydrophobicContact CG-CD1 4.47Å; Y696-L706 HydrophobicContact CG-CD2 3.98Å; Y696-L706 HydrophobicContact CG-CG 4.28Å
697S95.1Very high97Very high62 Ų6230 Ų3043%0.43416%0.159SC..Hα-helixtrans-87.6-35.9172.4-52.50000112.1H65 V693 D694 R695H65-S697 PolarHBondContact ND1-OG 2.91Å; V693-S697 PolarHBondContact O-N 3.04Å; V693-S697 PolarHBondContact O-OG 3.32Å; D694-S697 CarbonylContact O-C 3.52Å; D694-S697 WeakPolarHBondContact O-CA 3.4Å; D694-S697 WeakPolarHBondContact O-CB 3.14Å; D694-S697 PolarHBondContact O-N 3.5Å; R695-S697 PolarHBondContact O-N 2.86Å
698D94.9Very high97.1Very high40 Ų4030.3 Ų30.321%0.21416%0.162CC..Hα-helixtrans-87.7-26.5-175.6-75.6-36.8000112.9R670 D694R670-D698 IonicContact CZ-OD1 3.95Å; R670-D698 IonicContact CZ-OD2 3.97Å; R670-D698 VanDerWaalsContact NE-CG 3.31Å; R670-D698 IonicContact NE-OD1 3.36Å; R670-D698 PolarHBondContact NE-OD1 3.19Å; R670-D698 IonicContact NE-OD2 3.72Å; R670-D698 PolarHBondContact NE-OD2 3.34Å; R670-D698 IonicContact NH2-OD1 3.48Å; R670-D698 PolarHBondContact NH2-OD1 3.25Å; R670-D698 IonicContact NH2-OD2 3.37Å; R670-D698 PolarHBondContact NH2-OD2 3.49Å; D694-D698 WeakPolarHBondContact O-CB 3.48Å; D694-D698 PolarHBondContact O-N 3.4Å
699L95.3Very high97.1Very high9 Ų930.2 Ų30.25%0.04716%0.161CC..SBendtrans-74.7130.1176.5-71.7175.1000111.1F32 Q36 W39 R695 L701 G702F32-L699 HydrophobicContact CE2-CD2 4.48Å; F32-L699 HydrophobicContact CZ-CD2 4.36Å; Q36-L699 HydrophobicContact CB-CD2 3.88Å; Q36-L699 HydrophobicContact CG-CD2 4.21Å; W39-L699 HydrophobicContact CB-CD1 3.85Å; W39-L699 HydrophobicContact CG-CD1 4.36Å; R695-L699 HydrophobicContact CG-CD1 3.95Å; R695-L699 WeakPolarHBondContact O-CB 3.26Å; R695-L699 WeakPolarHBondContact O-CG 3.41Å; R695-L699 PolarHBondContact O-N 3.43Å; R695-L699 VanDerWaalsContact O-N 3.07Å; L699-L701 PolarHBondContact O-N 2.87Å; L699-G702 PolarHBondContact O-N 2.98Å
700P95.9Very high97.1Very high90 Ų9032.4 Ų32.458%0.58417%0.171SC*.THydrogen-bonded Turntrans-51.3-34.8-178.8-2829000115.6F32 Q36F32-P700 HydrophobicContact CE1-CG 4.05Å; F32-P700 HydrophobicContact CZ-CG 4.29Å; Q36-P700 VanDerWaalsContact OE1-CB 3.28Å
701L97.3Very high97.2Very high24 Ų2434.5 Ų34.513%0.12619%0.186CC..THydrogen-bonded Turntrans-103.77.4178.1-60.9179.7000113.6I40 L246 D249 L699 K704 A705I40-L701 HydrophobicContact CD1-CB 3.53Å; I40-L701 HydrophobicContact CD1-CD1 4.09Å; I40-L701 HydrophobicContact CD1-CG 4.45Å; L246-L701 HydrophobicContact CD2-CD1 4.42Å; L246-L701 HydrophobicContact CD2-CD2 4.5Å; D249-L701 HydrophobicContact CB-CD1 4.25Å; L699-L701 PolarHBondContact O-N 2.87Å; L701-K704 HydrophobicContact CD2-CD 4.03Å; L701-K704 PolarHBondContact O-N 3.44Å; L701-A705 WeakPolarHBondContact O-CB 3.13Å; L701-A705 PolarHBondContact O-N 3.5Å
702G97.2Very high97.3Very high0 Ų034.5 Ų34.50%019%0.186CC..Hα-helixtrans-58.9-51.7-17300000113.6Y696 L699 K704 A705 L706Y696-G702 CarbonylContact O-C 3.59Å; Y696-G702 VanDerWaalsContact O-CA 3.29Å; Y696-G702 WeakPolarHBondContact O-CA 3.45Å; L699-G702 PolarHBondContact O-N 2.98Å; G702-K704 PolarHBondContact O-N 2.84Å; G702-A705 WeakPolarHBondContact O-CB 3.26Å; G702-A705 PolarHBondContact O-N 3.31Å; G702-A705 VanDerWaalsContact O-N 3.12Å; G702-L706 PolarHBondContact O-N 3.16Å; G702-L706 VanDerWaalsContact O-N 3.1Å
703Q97.2Very high97.3Very high102 Ų10234.5 Ų34.548%0.47719%0.186SC..Hα-helixtrans-61.9-42.2177.5-174.758.650.600112.4Y696 A705 L706 D707Y696-Q703 PolarHBondContact O-N 3.25Å; Q703-A705 PolarHBondContact O-N 2.86Å; Q703-L706 PolarHBondContact O-N 2.95Å; Q703-L706 VanDerWaalsContact O-N 3.17Å; Q703-D707 PolarHBondContact NE2-OD1 3.04Å; Q703-D707 PolarHBondContact O-N 3.43Å
704K98.3Very high97.4Very high125 Ų12538.7 Ų38.754%0.54320%0.201SC..Hα-helixtrans-61.2-35.1176-69.1-178.5-179.2175.20111.6L246 L701 G702 D707 A708L246-K704 HydrophobicContact CD1-CB 4.12Å; L246-K704 HydrophobicContact CD2-CB 4.22Å; L246-K704 HydrophobicContact CD2-CD 4.37Å; L701-K704 HydrophobicContact CD2-CD 4.03Å; L701-K704 PolarHBondContact O-N 3.44Å; G702-K704 PolarHBondContact O-N 2.84Å; K704-D707 PolarHBondContact O-N 2.85Å; K704-A708 VanDerWaalsContact O-CB 3.29Å; K704-A708 WeakPolarHBondContact O-CB 3.17Å; K704-A708 PolarHBondContact O-N 3.38Å
705A98.6Very high97.4Very high0 Ų041.1 Ų41.10%021%0.208CC..Hα-helixtrans-68.2-38.2177.100000112I40 L43 L243 L246 L701 G702 Q703 A708 L709I40-A705 HydrophobicContact CB-CB 4.44Å; I40-A705 HydrophobicContact CD1-CB 4.47Å; I40-A705 HydrophobicContact CG1-CB 3.91Å; I40-A705 HydrophobicContact CG2-CB 4.15Å; L43-A705 HydrophobicContact CD1-CB 3.77Å; L243-A705 HydrophobicContact CD2-CB 4.19Å; L246-A705 HydrophobicContact CD1-CB 4.02Å; L701-A705 WeakPolarHBondContact O-CB 3.13Å; L701-A705 PolarHBondContact O-N 3.5Å; G702-A705 WeakPolarHBondContact O-CB 3.26Å; G702-A705 PolarHBondContact O-N 3.31Å; G702-A705 VanDerWaalsContact O-N 3.12Å; Q703-A705 PolarHBondContact O-N 2.86Å; A705-A708 PolarHBondContact O-N 2.72Å; A705-L709 WeakPolarHBondContact O-CB 3.26Å; A705-L709 PolarHBondContact O-N 3.02Å
706L98.4Very high97.4Very high11 Ų1141 Ų416%0.05821%0.208CC..Hα-helixtrans-64.2-42.4173.2-61.9-179.3000112L43 F57 L58 Y696 G702 Q703 A708 L709 E710L43-L706 HydrophobicContact CD1-CD2 4.48Å; F57-L706 HydrophobicContact CD1-CD2 4.5Å; F57-L706 HydrophobicContact CE1-CD2 3.67Å; L58-L706 HydrophobicContact CD2-CB 4.36Å; Y696-L706 HydrophobicContact CD1-CD2 4.02Å; Y696-L706 HydrophobicContact CD1-CG 4.3Å; Y696-L706 HydrophobicContact CD2-CD2 4.41Å; Y696-L706 HydrophobicContact CE1-CD2 4.5Å; Y696-L706 HydrophobicContact CG-CD1 4.47Å; Y696-L706 HydrophobicContact CG-CD2 3.98Å; Y696-L706 HydrophobicContact CG-CG 4.28Å; G702-L706 PolarHBondContact O-N 3.16Å; G702-L706 VanDerWaalsContact O-N 3.1Å; Q703-L706 PolarHBondContact O-N 2.95Å; Q703-L706 VanDerWaalsContact O-N 3.17Å; L706-A708 VanDerWaalsContact C-N 3.35Å; L706-L709 WeakPolarHBondContact O-CB 3.08Å; L706-L709 PolarHBondContact O-N 3.03Å; L706-E710 PolarHBondContact O-N 3.34Å
707D98.4Very high97.4Very high73 Ų7343 Ų4339%0.3922%0.218SC..Hα-helixtrans-66.2-38.7177-59.4-18000111.5Q703 K704 E710 T711Q703-D707 PolarHBondContact NE2-OD1 3.04Å; Q703-D707 PolarHBondContact O-N 3.43Å; K704-D707 PolarHBondContact O-N 2.85Å; D707-E710 PolarHBondContact O-N 3.45Å; D707-T711 WeakPolarHBondContact O-CB 3.46Å; D707-T711 PolarHBondContact O-N 2.77Å; D707-T711 PolarHBondContact O-OG1 3.06Å
708A98.7Very high97.4Very high9 Ų943.5 Ų43.57%0.07422%0.22CC..Hα-helixtrans-63.4-44.7173.800000111.7E242 L243 L246 K704 A705 L706 E710 T711 I712E242-A708 HydrophobicContact CB-CB 3.64Å; L243-A708 HydrophobicContact CD2-CB 3.8Å; L243-A708 HydrophobicContact CG-CB 4.01Å; L246-A708 HydrophobicContact CD1-CB 4.16Å; K704-A708 VanDerWaalsContact O-CB 3.29Å; K704-A708 WeakPolarHBondContact O-CB 3.17Å; K704-A708 PolarHBondContact O-N 3.38Å; A705-A708 PolarHBondContact O-N 2.72Å; L706-A708 VanDerWaalsContact C-N 3.35Å; A708-E710 PolarHBondContact O-N 3.48Å; A708-T711 PolarHBondContact O-N 3.24Å; A708-I712 WeakPolarHBondContact O-CD1 3.46Å; A708-I712 VanDerWaalsContact O-CG1 3.28Å; A708-I712 WeakPolarHBondContact O-CG1 2.92Å; A708-I712 PolarHBondContact O-N 3.25Å
709L98.7Very high97.4Very high0 Ų045 Ų450%022%0.223CC..Hα-helixtrans-57.7-48.2175.417567.6000111.3L43 L46 I47 A54 F57 L58 A705 L706 T711 I712 W713L43-L709 HydrophobicContact CB-CD1 4.33Å; L43-L709 HydrophobicContact CD1-CB 4.27Å; L43-L709 HydrophobicContact CD1-CD2 4.5Å; L43-L709 HydrophobicContact CD2-CD2 4.15Å; L46-L709 HydrophobicContact CB-CD1 4.46Å; L46-L709 HydrophobicContact CD1-CD1 4.41Å; L46-L709 HydrophobicContact CD1-CD2 3.79Å; I47-L709 HydrophobicContact CD1-CD1 3.8Å; I47-L709 HydrophobicContact CG1-CD1 3.83Å; A54-L709 HydrophobicContact CB-CD1 3.82Å; A54-L709 HydrophobicContact CB-CD2 4.4Å; A54-L709 HydrophobicContact CB-CG 4.16Å; F57-L709 HydrophobicContact CD1-CD2 3.86Å; F57-L709 HydrophobicContact CE1-CD2 4.39Å; L58-L709 HydrophobicContact CD1-CD2 4.37Å; L58-L709 HydrophobicContact CD1-CG 4.37Å; L58-L709 HydrophobicContact CD2-CD2 4.03Å; L58-L709 HydrophobicContact CG-CD2 3.93Å; L58-L709 HydrophobicContact CG-CG 4.44Å; A705-L709 WeakPolarHBondContact O-CB 3.26Å; A705-L709 PolarHBondContact O-N 3.02Å; L706-L709 WeakPolarHBondContact O-CB 3.08Å; L706-L709 PolarHBondContact O-N 3.03Å; L709-T711 VanDerWaalsContact C-N 3.34Å; L709-T711 PolarHBondContact O-N 2.9Å; L709-I712 PolarHBondContact O-N 3.04Å; L709-W713 VanDerWaalsContact O-CB 3.26Å; L709-W713 WeakPolarHBondContact O-CB 3.45Å; L709-W713 PolarHBondContact O-N 3.14Å
710E98.4Very high97.4Very high45 Ų4545.1 Ų45.121%0.2122%0.223CC..Hα-helixtrans-61.7-44.2178.1-172.9171.9-139.300111.2L58 R62 L706 D707 A708 I712 W713 R714L58-E710 HydrophobicContact CD1-CB 3.67Å; L58-E710 HydrophobicContact CD1-CG 4.04Å; L58-E710 HydrophobicContact CD2-CB 4.41Å; R62-E710 IonicContact CZ-OE1 3.24Å; R62-E710 IonicContact CZ-OE2 2.95Å; R62-E710 IonicContact NH1-OE1 2.74Å; R62-E710 PolarHBondContact NH1-OE1 2.74Å; R62-E710 IonicContact NH1-OE2 2.75Å; R62-E710 IonicContact NH2-OE1 2.82Å; R62-E710 PolarHBondContact NH2-OE1 3.37Å; R62-E710 IonicContact NH2-OE2 3.34Å; R62-E710 PolarHBondContact NH2-OE2 3Å; L706-E710 PolarHBondContact O-N 3.34Å; D707-E710 PolarHBondContact O-N 3.45Å; A708-E710 PolarHBondContact O-N 3.48Å; E710-I712 VanDerWaalsContact C-N 3.34Å; E710-I712 PolarHBondContact O-N 3.44Å; E710-W713 HydrophobicContact CG-CE3 4.42Å; E710-W713 PolarHBondContact O-N 2.96Å; E710-R714 HydrophobicContact CG-CG 3.98Å; E710-R714 WeakPolarHBondContact O-CB 3.42Å; E710-R714 WeakPolarHBondContact O-CG 3.49Å; E710-R714 PolarHBondContact O-N 3.41Å
711T98.6Very high97.2Very high73 Ų7348 Ų4845%0.44823%0.227SC..Hα-helixtrans-57.4-46.7178.3-600000111.8E242 D707 A708 L709 R715E242-T711 HydrophobicContact CG-CG2 4.08Å; D707-T711 WeakPolarHBondContact O-CB 3.46Å; D707-T711 PolarHBondContact O-N 2.77Å; D707-T711 PolarHBondContact O-OG1 3.06Å; A708-T711 PolarHBondContact O-N 3.24Å; L709-T711 VanDerWaalsContact C-N 3.34Å; L709-T711 PolarHBondContact O-N 2.9Å; T711-R715 WeakPolarHBondContact O-CB 3.44Å; T711-R715 PolarHBondContact O-N 2.73Å; T711-R715 VanDerWaalsContact O-N 3.17Å
712I98.5Very high97Very high0 Ų051.9 Ų51.90%025%0.248CC..Hα-helixtrans-64.4-50177.8-66.8162.4000110.4I47 Y240 E242 L243 A708 L709 E710 R714 R715 D716I47-I712 HydrophobicContact CD1-CG2 4.03Å; I47-I712 HydrophobicContact CG1-CG2 4.02Å; I47-I712 HydrophobicContact CG2-CG2 4.24Å; Y240-I712 HydrophobicContact CD1-CG2 4.07Å; E242-I712 HydrophobicContact CB-CD1 4.24Å; E242-I712 HydrophobicContact CB-CG1 4.31Å; E242-I712 VanDerWaalsContact OE2-CG1 3.24Å; E242-I712 WeakPolarHBondContact OE2-CG1 3.18Å; L243-I712 HydrophobicContact CB-CD1 4.04Å; L243-I712 HydrophobicContact CD1-CD1 3.62Å; L243-I712 HydrophobicContact CG-CD1 3.6Å; A708-I712 WeakPolarHBondContact O-CD1 3.46Å; A708-I712 VanDerWaalsContact O-CG1 3.28Å; A708-I712 WeakPolarHBondContact O-CG1 2.92Å; A708-I712 PolarHBondContact O-N 3.25Å; L709-I712 PolarHBondContact O-N 3.04Å; E710-I712 VanDerWaalsContact C-N 3.34Å; E710-I712 PolarHBondContact O-N 3.44Å; I712-R714 PolarHBondContact O-N 3.49Å; I712-R715 WeakPolarHBondContact O-CB 3.41Å; I712-R715 PolarHBondContact O-N 3.45Å; I712-R715 VanDerWaalsContact O-N 3.15Å; I712-D716 PolarHBondContact O-N 3.14Å; I712-D716 VanDerWaalsContact O-N 3.1Å
713W98.2Very high96.8Very high9 Ų952.2 Ų52.23%0.03425%0.25CC..Hα-helixtrans-55.7-50.1-179.1174.146.4000111.5I47 P51 A54 G55 L58 L140 I144 L709 E710 R715 D716 L717I47-W713 HydrophobicContact CD1-CB 3.82Å; P51-W713 PolarHBondContact O-NE1 3.43Å; A54-W713 HydrophobicContact CB-CB 3.91Å; A54-W713 HydrophobicContact CB-CD2 4.31Å; A54-W713 HydrophobicContact CB-CG 3.77Å; G55-W713 VanDerWaalsContact CA-CZ2 3.48Å; L58-W713 HydrophobicContact CD1-CE3 3.77Å; L58-W713 HydrophobicContact CD1-CZ3 4.23Å; L140-W713 HydrophobicContact CD1-CH2 3.56Å; L140-W713 HydrophobicContact CD1-CZ3 3.67Å; I144-W713 HydrophobicContact CG2-CH2 3.84Å; I144-W713 HydrophobicContact CG2-CZ2 4.01Å; L709-W713 VanDerWaalsContact O-CB 3.26Å; L709-W713 WeakPolarHBondContact O-CB 3.45Å; L709-W713 PolarHBondContact O-N 3.14Å; E710-W713 HydrophobicContact CG-CE3 4.42Å; E710-W713 PolarHBondContact O-N 2.96Å; W713-R715 VanDerWaalsContact C-N 3.3Å; W713-R715 PolarHBondContact O-N 3.03Å; W713-D716 PolarHBondContact O-N 3.44Å; W713-D716 VanDerWaalsContact O-N 3.14Å; W713-L717 HydrophobicContact CZ2-CD1 4.14Å; W713-L717 HydrophobicContact CZ2-CD2 4.43Å; W713-L717 WeakPolarHBondContact O-CG 3.43Å; W713-L717 PolarHBondContact O-N 3.18Å; W713-L717 VanDerWaalsContact O-N 3.1Å
714R98Very high96.6Very high94 Ų9450.2 Ų50.236%0.35525%0.245SC..Hα-helixtrans-60.3-37.7178.5-65.7-68.8-178.4-175.6-4112.6E143 E710 I712 D716E143-R714 IonicContact OE1-CZ 2.83Å; E143-R714 IonicContact OE1-NH1 3.11Å; E143-R714 PolarHBondContact OE1-NH1 2.73Å; E143-R714 IonicContact OE2-CZ 3.35Å; E143-R714 VanDerWaalsContact OE2-CZ 3.25Å; E143-R714 IonicContact OE2-NH1 2.77Å; E143-R714 PolarHBondContact OE2-NH1 3.15Å; E143-R714 IonicContact OE2-NH2 2.68Å; E143-R714 PolarHBondContact OE2-NH2 2.77Å; E710-R714 HydrophobicContact CG-CG 3.98Å; E710-R714 WeakPolarHBondContact O-CB 3.42Å; E710-R714 WeakPolarHBondContact O-CG 3.49Å; E710-R714 PolarHBondContact O-N 3.41Å; I712-R714 PolarHBondContact O-N 3.49Å; R714-D716 VanDerWaalsContact C-N 3.33Å
715R97.5Very high96.4Very high86 Ų8649.8 Ų49.833%0.32525%0.248SC..Hα-helixtrans-65.9-34.6177.2-179.5179.165.1-139.23.7112.5E242 T711 I712 W713 P718E242-R715 IonicContact OE1-NH1 2.77Å; E242-R715 PolarHBondContact OE1-NH1 2.93Å; E242-R715 IonicContact OE2-CZ 2.67Å; E242-R715 IonicContact OE2-NH1 2.73Å; E242-R715 PolarHBondContact OE2-NH1 3.23Å; E242-R715 IonicContact OE2-NH2 3.72Å; E242-R715 PolarHBondContact OE2-NH2 3.43Å; T711-R715 WeakPolarHBondContact O-CB 3.44Å; T711-R715 PolarHBondContact O-N 2.73Å; T711-R715 VanDerWaalsContact O-N 3.17Å; I712-R715 WeakPolarHBondContact O-CB 3.41Å; I712-R715 PolarHBondContact O-N 3.45Å; I712-R715 VanDerWaalsContact O-N 3.15Å; W713-R715 VanDerWaalsContact C-N 3.3Å; W713-R715 PolarHBondContact O-N 3.03Å; R715-P718 WeakPolarHBondContact O-CD 3.43Å
716D96.3Very high96.3Very high5 Ų552.3 Ų52.33%0.02726%0.261CS..Hα-helixtrans-89.3-25.6-173.5-784.2000114R196 I712 W713 R714 P718 Y719 F720R196-D716 IonicContact CZ-OD2 3.89Å; R196-D716 IonicContact NH1-OD2 3.88Å; R196-D716 PolarHBondContact NH1-OD2 3.42Å; R196-D716 VanDerWaalsContact NH1-OD2 3.07Å; R196-D716 IonicContact NH2-OD1 3.85Å; R196-D716 IonicContact NH2-OD2 3.52Å; R196-D716 PolarHBondContact NH2-OD2 2.9Å; I712-D716 PolarHBondContact O-N 3.14Å; I712-D716 VanDerWaalsContact O-N 3.1Å; W713-D716 PolarHBondContact O-N 3.44Å; W713-D716 VanDerWaalsContact O-N 3.14Å; R714-D716 VanDerWaalsContact C-N 3.33Å; D716-P718 VanDerWaalsContact C-N 3.29Å; D716-P718 VanDerWaalsContact O-N 3.1Å; D716-Y719 WeakPolarHBondContact O-CB 3.48Å; D716-Y719 WeakPolarHBondContact O-CD2 3.49Å; D716-Y719 PolarHBondContact O-N 3.02Å; D716-F720 HydrophobicContact CB-CE2 4.49Å; D716-F720 WeakPolarHBondContact O-CD2 3.3Å
717L95.5Very high96.2Very high45 Ų4554.4 Ų54.424%0.23627%0.271CS..G310 helixtrans-45.4-41.4179.8-80174.3000115.2W713 Y719 F720 K721W713-L717 HydrophobicContact CZ2-CD1 4.14Å; W713-L717 HydrophobicContact CZ2-CD2 4.43Å; W713-L717 WeakPolarHBondContact O-CG 3.43Å; W713-L717 PolarHBondContact O-N 3.18Å; W713-L717 VanDerWaalsContact O-N 3.1Å; L717-Y719 PolarHBondContact O-N 2.84Å; L717-Y719 VanDerWaalsContact O-N 3.08Å; L717-F720 PolarHBondContact O-N 2.84Å; L717-K721 PolarHBondContact O-N 2.65Å
718P95.7Very high96Very high73 Ų7353.4 Ų53.447%0.47427%0.265SS..G310 helixtrans-58.5-22.4179.5-26.936.9000115.4R715 D716 F720 K721R715-P718 WeakPolarHBondContact O-CD 3.43Å; D716-P718 VanDerWaalsContact C-N 3.29Å; D716-P718 VanDerWaalsContact O-N 3.1Å; P718-F720 VanDerWaalsContact C-N 3.27Å; P718-F720 PolarHBondContact O-N 2.59Å; P718-K721 WeakPolarHBondContact O-CG 3.27Å
719Y95.1Very high95.9Very high72 Ų7256 Ų5628%0.28228%0.276SS..G310 helixtrans-79.8-4.9178.1-64.7-77.7000114E171 F198 R211 D716 L717E171-Y719 VanDerWaalsContact CB-O 3.29Å; E171-Y719 WeakPolarHBondContact CB-O 3.46Å; E171-Y719 WeakPolarHBondContact CG-O 3.01Å; E171-Y719 PolarHBondContact N-O 3.2Å; E171-Y719 VanDerWaalsContact N-O 3.14Å; F198-Y719 AromaticContact CD1-CD1 3.57Å; F198-Y719 HydrophobicContact CD1-CD1 3.57Å; F198-Y719 AromaticContact CD1-CD2 3.9Å; F198-Y719 HydrophobicContact CD1-CD2 3.9Å; F198-Y719 AromaticContact CD1-CE1 3.85Å; F198-Y719 HydrophobicContact CD1-CE1 3.85Å; F198-Y719 HydrophobicContact CD1-CE2 4.19Å; F198-Y719 AromaticContact CD1-CG 3.6Å; F198-Y719 HydrophobicContact CD1-CG 3.6Å; F198-Y719 HydrophobicContact CE1-CD1 4.11Å; F198-Y719 AromaticContact CE1-CD2 3.67Å; F198-Y719 HydrophobicContact CE1-CD2 3.67Å; F198-Y719 HydrophobicContact CE1-CE2 4.2Å; F198-Y719 AromaticContact CE1-CG 3.62Å; F198-Y719 HydrophobicContact CE1-CG 3.62Å; R211-Y719 PolarHBondContact NH2-OH 3.31Å; D716-Y719 WeakPolarHBondContact O-CB 3.48Å; D716-Y719 WeakPolarHBondContact O-CD2 3.49Å; D716-Y719 PolarHBondContact O-N 3.02Å; L717-Y719 PolarHBondContact O-N 2.84Å; L717-Y719 VanDerWaalsContact O-N 3.08Å
720F95.4Very high95.7Very high11 Ų1159.5 Ų59.55%0.04829%0.293CS..G310 helixtrans-129.49.2-176-55.5-74.4000113.3P51 T166 Y169 E171 D716 L717 P718 N722 I723P51-F720 HydrophobicContact CB-CB 3.84Å; P51-F720 HydrophobicContact CB-CD2 4.17Å; P51-F720 HydrophobicContact CB-CG 4.03Å; P51-F720 HydrophobicContact CG-CB 3.55Å; P51-F720 HydrophobicContact CG-CD1 3.79Å; P51-F720 HydrophobicContact CG-CD2 3.98Å; P51-F720 HydrophobicContact CG-CE1 4.47Å; P51-F720 HydrophobicContact CG-CG 3.5Å; P51-F720 VanDerWaalsContact CG-CG 3.5Å; T166-F720 WeakPolarHBondContact O-CE1 3.33Å; Y169-F720 VanDerWaalsContact O-CE1 3.29Å; Y169-F720 WeakPolarHBondContact O-CE1 3.45Å; E171-F720 HydrophobicContact CB-CD1 4.33Å; E171-F720 WeakPolarHBondContact OE2-CA 3.43Å; D716-F720 HydrophobicContact CB-CE2 4.49Å; D716-F720 WeakPolarHBondContact O-CD2 3.3Å; L717-F720 PolarHBondContact O-N 2.84Å; P718-F720 VanDerWaalsContact C-N 3.27Å; P718-F720 PolarHBondContact O-N 2.59Å; F720-N722 VanDerWaalsContact C-N 3.29Å; F720-N722 PolarHBondContact O-N 2.79Å; F720-I723 HydrophobicContact CB-CD1 4.12Å; F720-I723 HydrophobicContact CD1-CD1 4Å; F720-I723 PolarHBondContact O-N 3.29Å
721K92.2Very high95.5Very high151 Ų15160.5 Ų60.566%0.65730%0.299SS*.THydrogen-bonded Turntrans-70.1-20.9-170.170.8-176.8-179.7-179.50114.2E171 L717 P718E171-K721 PolarHBondContact OE2-N 2.78Å; L717-K721 PolarHBondContact O-N 2.65Å; P718-K721 WeakPolarHBondContact O-CG 3.27Å
722N92.1Very high95.3Very high105 Ų10559.6 Ų59.656%0.56129%0.288SS*.THydrogen-bonded Turntrans-97.83.8-179-52.8-56.2000112.2E171 F720 P724E171-N722 VanDerWaalsContact OE1-CB 3.25Å; E171-N722 WeakPolarHBondContact OE1-CB 3.47Å; E171-N722 PolarHBondContact OE1-ND2 3.36Å; E171-N722 WeakPolarHBondContact OE2-CA 3.5Å; E171-N722 PolarHBondContact OE2-N 2.85Å; F720-N722 VanDerWaalsContact C-N 3.29Å; F720-N722 PolarHBondContact O-N 2.79Å; N722-P724 VanDerWaalsContact O-CD 3.26Å; N722-P724 WeakPolarHBondContact O-CD 3.47Å
723I93.1Very high95Very high8 Ų864.2 Ų64.24%0.04131%0.31CS..SBendtrans-68.3117.1170.5-59.1-175000108.9R154 R155 I165 E171 F720R154-I723 HydrophobicContact CG-CG2 4.32Å; R155-I723 HydrophobicContact CG-CG2 4.06Å; I165-I723 HydrophobicContact CD1-CD1 3.62Å; I165-I723 HydrophobicContact CD1-CG2 4.2Å; I165-I723 HydrophobicContact CG1-CD1 3.8Å; E171-I723 HydrophobicContact CB-CD1 4.02Å; E171-I723 HydrophobicContact CB-CG1 3.82Å; E171-I723 WeakPolarHBondContact OE2-CG1 3.24Å; E171-I723 PolarHBondContact OE2-N 3.37Å; E171-I723 VanDerWaalsContact OE2-N 3.12Å; F720-I723 HydrophobicContact CB-CD1 4.12Å; F720-I723 HydrophobicContact CD1-CD1 4Å; F720-I723 PolarHBondContact O-N 3.29Å
724P93.8Very high94.8Very high59 Ų5968.8 Ų68.838%0.38333%0.333SS..  trans-56.8148.5-178.5-26.937.6000113.1N152 R155 N722N152-P724 VanDerWaalsContact ND2-CB 3.34Å; N152-P724 WeakPolarHBondContact ND2-CB 3.18Å; R155-P724 WeakPolarHBondContact CD-O 3.31Å; R155-P724 PolarHBondContact NE-O 2.94Å; N722-P724 VanDerWaalsContact O-CD 3.26Å; N722-P724 WeakPolarHBondContact O-CD 3.47Å
725L92.9Very high94.5Very high116 Ų11666.5 Ų66.561%0.60733%0.331SS*.  trans-99.20172-65175.3000111P146 A147 S150 N152P146-L725 HydrophobicContact CB-CD1 3.83Å; A147-L725 VanDerWaalsContact CA-CD2 3.44Å; A147-L725 HydrophobicContact CB-CD2 3.77Å; S150-L725 WeakPolarHBondContact CB-OXT 3.4Å; S150-L725 VanDerWaalsContact OG-C 3.31Å; S150-L725 PolarHBondContact OG-OXT 3.12Å; N152-L725 PolarHBondContact ND2-O 3.09Å

Retrieved 725 of 725 residues in 197.7 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).