A0A3Q0KUN3_SCHMA Loading...

General transcription and DNA repair factor IIH helicase subunit XPD

AlphaFold DB , UniProt , Accession A0A3Q0KUN3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 788 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M84.8Confident87.9Confident17 Ų1741.9 Ų41.98%0.08424%0.243CC..  0137.60179.2165.861.500111.2I3 F12 Y14 I17 Y93 R742 I745M1-I3 HydrophobicContact CE-CD1 3.59Å; M1-I3 HydrophobicContact CE-CG1 3.86Å; M1-I3 HydrophobicContact CG-CG1 3.95Å; M1-I3 HydrophobicContact SD-CG1 4.47Å; M1-F12 PolarHBondContact N-O 3.04Å; M1-F12 PolarHBondContact O-N 3.15Å; M1-Y14 WeakPolarHBondContact CB-O 2.83Å; M1-Y14 PolarHBondContact N-O 3.18Å; M1-I17 HydrophobicContact CE-CB 3.53Å; M1-I17 HydrophobicContact CE-CG2 3.52Å; M1-Y93 VanDerWaalsContact N-CZ 3.34Å; M1-Y93 PolarHBondContact N-OH 3.15Å; M1-R742 HydrophobicContact SD-CB 4.04Å; M1-I745 HydrophobicContact CE-CD1 3.51Å; M1-I745 HydrophobicContact SD-CD1 3.78Å
2K87.7Confident88.2Confident70 Ų7038.5 Ų38.530%0.30422%0.223SC..EExtended strand (participates in β ladder)trans-91.2119.9172.1-56.1-175.4-166.4-170.10110L9 Y11 E97K2-L9 HydrophobicContact CB-CD1 4.09Å; K2-Y11 HydrophobicContact CD-CD1 4.34Å; K2-Y11 HydrophobicContact CD-CE1 3.76Å; K2-Y11 HydrophobicContact CG-CD1 3.95Å; K2-Y11 HydrophobicContact CG-CE1 3.89Å; K2-E97 WeakPolarHBondContact CE-OE2 3.13Å; K2-E97 IonicContact NZ-OE2 3.54Å; K2-E97 PolarHBondContact NZ-OE2 2.95Å
3I87.6Confident88.3Confident2 Ų237 Ų371%0.0122%0.215CC..EExtended strand (participates in β ladder)trans-119.1134.1-173.8-52.3178.3000108.7M1 I5 V10 F12 I17 Y22 M25 I745M1-I3 HydrophobicContact CE-CD1 3.59Å; M1-I3 HydrophobicContact CE-CG1 3.86Å; M1-I3 HydrophobicContact CG-CG1 3.95Å; M1-I3 HydrophobicContact SD-CG1 4.47Å; I3-I5 HydrophobicContact CG2-CD1 4.19Å; I3-I5 HydrophobicContact CG2-CG1 3.81Å; I3-V10 PolarHBondContact N-O 3.1Å; I3-V10 PolarHBondContact O-N 3.13Å; I3-F12 HydrophobicContact CD1-CB 3.64Å; I3-F12 HydrophobicContact CD1-CD1 4.5Å; I3-F12 HydrophobicContact CD1-CG 4.06Å; I3-F12 HydrophobicContact CG1-CB 4.28Å; I3-I17 HydrophobicContact CD1-CB 4.35Å; I3-I17 HydrophobicContact CD1-CD1 3.47Å; I3-I17 VanDerWaalsContact CD1-CD1 3.47Å; I3-I17 HydrophobicContact CD1-CG1 4.39Å; I3-Y22 HydrophobicContact CG2-CD2 4.04Å; I3-Y22 HydrophobicContact CG2-CE2 4.04Å; I3-M25 HydrophobicContact CD1-CE 4.33Å; I3-I745 HydrophobicContact CD1-CD1 4.38Å; I3-I745 HydrophobicContact CG1-CD1 4.26Å; I3-I745 HydrophobicContact CG2-CD1 4.39Å; I3-I745 HydrophobicContact CG2-CG2 4.33Å
4N88.4Confident88.3Confident80 Ų8042.5 Ų42.543%0.42823%0.232SC..EExtended strand (participates in β ladder)trans-95.1122.3171.5-174.11.9000109.5G7 I749N4-G7 WeakPolarHBondContact OD1-CA 3.49Å; N4-G7 PolarHBondContact OD1-N 3.2Å; N4-G7 VanDerWaalsContact OD1-N 3.11Å; N4-I749 HydrophobicContact CB-CD1 4.49Å
5I86.2Confident88.1Confident0 Ų049.5 Ų49.50%026%0.262CS..EExtended strand (participates in β ladder)trans-122.699.7-179.4-51.4-170000108.1I3 G7 L8 V10 Y22 M25 I26 K29 L55I3-I5 HydrophobicContact CG2-CD1 4.19Å; I3-I5 HydrophobicContact CG2-CG1 3.81Å; I5-G7 PolarHBondContact O-N 3.29Å; I5-G7 VanDerWaalsContact O-N 3.12Å; I5-L8 PolarHBondContact N-O 3.47Å; I5-L8 WeakPolarHBondContact O-CB 3.5Å; I5-L8 PolarHBondContact O-N 3.14Å; I5-V10 HydrophobicContact CB-CG2 4.37Å; I5-V10 HydrophobicContact CD1-CB 4.18Å; I5-V10 HydrophobicContact CD1-CG2 3.73Å; I5-V10 HydrophobicContact CG1-CB 4.49Å; I5-V10 HydrophobicContact CG1-CG2 3.97Å; I5-Y22 HydrophobicContact CG1-CE2 4.35Å; I5-M25 HydrophobicContact CD1-CB 3.39Å; I5-M25 HydrophobicContact CD1-CE 3.51Å; I5-M25 HydrophobicContact CD1-CG 4Å; I5-M25 HydrophobicContact CD1-SD 3.42Å; I5-M25 WeakPolarHBondContact CD1-SD 3.32Å; I5-M25 HydrophobicContact CG2-CB 4.4Å; I5-I26 HydrophobicContact CG2-CG1 3.87Å; I5-K29 HydrophobicContact CG2-CD 4.13Å; I5-K29 VanDerWaalsContact O-CD 3.31Å; I5-K29 WeakPolarHBondContact O-CD 3.45Å; I5-K29 VanDerWaalsContact O-CE 3.27Å; I5-K29 WeakPolarHBondContact O-CE 3.41Å; I5-L55 HydrophobicContact CD1-CD1 4.27Å
6D83.5Confident87.9Confident83 Ų8351.7 Ų51.744%0.44427%0.267SS..THydrogen-bonded Turntrans43.547.2-178.5-66.5-13.3000113.4K29D6-K29 HydrophobicContact CB-CD 4.09Å; D6-K29 VanDerWaalsContact O-CE 3.27Å; D6-K29 WeakPolarHBondContact O-CE 3.4Å; D6-K29 PolarHBondContact O-NZ 3.09Å; D6-K29 VanDerWaalsContact O-NZ 3.14Å
7G83.9Confident88Confident71 Ų7148.7 Ų48.773%0.73225%0.251SS*.THydrogen-bonded Turntrans90.4-1.3178.100000115.5N4 I5N4-G7 WeakPolarHBondContact OD1-CA 3.49Å; N4-G7 PolarHBondContact OD1-N 3.2Å; N4-G7 VanDerWaalsContact OD1-N 3.11Å; I5-G7 PolarHBondContact O-N 3.29Å; I5-G7 VanDerWaalsContact O-N 3.12Å
8L89.6Confident88Confident12 Ų1248.5 Ų48.56%0.06325%0.247CC..EExtended strand (participates in β ladder)trans-101124.3174.3-176.565.2000110.7I5 V10 K29 L55 A58 Y59 A62I5-L8 PolarHBondContact N-O 3.47Å; I5-L8 WeakPolarHBondContact O-CB 3.5Å; I5-L8 PolarHBondContact O-N 3.14Å; L8-V10 HydrophobicContact CD2-CG2 4.2Å; L8-V10 HydrophobicContact CG-CG2 4.15Å; L8-V10 PolarHBondContact O-N 2.93Å; L8-K29 HydrophobicContact CB-CD 4.37Å; L8-L55 HydrophobicContact CD2-CD1 3.89Å; L8-A58 HydrophobicContact CD1-CB 4.49Å; L8-A58 HydrophobicContact CD2-CB 4.15Å; L8-A58 HydrophobicContact CG-CB 4.26Å; L8-Y59 HydrophobicContact CD2-CD2 3.97Å; L8-A62 HydrophobicContact CD1-CB 3.35Å
9L91.7Very high87.9Confident86 Ų8646.8 Ų46.845%0.4524%0.24SC..EExtended strand (participates in β ladder)trans-80.8109.1173.8-172.969.6000110.1K2 Y11K2-L9 HydrophobicContact CB-CD1 4.09Å; L9-Y11 HydrophobicContact CD2-CE2 4.1Å; L9-Y11 HydrophobicContact CG-CE2 4.36Å
10V91.8Very high88Confident0 Ų044.7 Ų44.70%023%0.229CC..EExtended strand (participates in β ladder)trans-102125.5179.5-178.90000110I3 I5 L8 M25 L55 A58I3-V10 PolarHBondContact N-O 3.1Å; I3-V10 PolarHBondContact O-N 3.13Å; I5-V10 HydrophobicContact CB-CG2 4.37Å; I5-V10 HydrophobicContact CD1-CB 4.18Å; I5-V10 HydrophobicContact CD1-CG2 3.73Å; I5-V10 HydrophobicContact CG1-CB 4.49Å; I5-V10 HydrophobicContact CG1-CG2 3.97Å; L8-V10 HydrophobicContact CD2-CG2 4.2Å; L8-V10 HydrophobicContact CG-CG2 4.15Å; L8-V10 PolarHBondContact O-N 2.93Å; V10-M25 HydrophobicContact CG1-SD 4.26Å; V10-L55 HydrophobicContact CG2-CD1 3.87Å; V10-A58 HydrophobicContact CB-CB 4.25Å; V10-A58 HydrophobicContact CG1-CB 4.34Å; V10-A58 HydrophobicContact CG2-CB 3.86Å
11Y91.3Very high88.1Confident40 Ų4043 Ų4316%0.15722%0.22CC..EExtended strand (participates in β ladder)trans-88.4109.3169.6-63.8-100.3000108.6K2 L9 L90 Y93 Y94 E97K2-Y11 HydrophobicContact CD-CD1 4.34Å; K2-Y11 HydrophobicContact CD-CE1 3.76Å; K2-Y11 HydrophobicContact CG-CD1 3.95Å; K2-Y11 HydrophobicContact CG-CE1 3.89Å; L9-Y11 HydrophobicContact CD2-CE2 4.1Å; L9-Y11 HydrophobicContact CG-CE2 4.36Å; Y11-L90 WeakPolarHBondContact O-CD1 3.36Å; Y11-Y93 HydrophobicContact CD1-CE1 4.41Å; Y11-Y94 HydrophobicContact CD2-CD1 4.15Å; Y11-Y94 AromaticContact CD2-CE1 3.29Å; Y11-Y94 HydrophobicContact CD2-CE1 3.29Å; Y11-Y94 AromaticContact CD2-CZ 3.66Å; Y11-Y94 AromaticContact CE2-CE1 3.97Å; Y11-Y94 HydrophobicContact CE2-CE1 3.97Å; Y11-Y94 HydrophobicContact CG-CD1 4.22Å; Y11-Y94 AromaticContact CG-CE1 3.68Å; Y11-Y94 HydrophobicContact CG-CE1 3.68Å; Y11-Y94 AromaticContact CG-CZ 3.89Å; Y11-E97 HydrophobicContact CD1-CB 4.09Å; Y11-E97 HydrophobicContact CD1-CG 4.32Å; Y11-E97 HydrophobicContact CE1-CB 4.01Å
12F91.8Very high88.4Confident1 Ų142.5 Ų42.50%0.00422%0.217CC..  trans-96.7130.8177.1-167-110000109.5M1 I3 Y14 Y16 I17 V50 Y93M1-F12 PolarHBondContact N-O 3.04Å; M1-F12 PolarHBondContact O-N 3.15Å; I3-F12 HydrophobicContact CD1-CB 3.64Å; I3-F12 HydrophobicContact CD1-CD1 4.5Å; I3-F12 HydrophobicContact CD1-CG 4.06Å; I3-F12 HydrophobicContact CG1-CB 4.28Å; F12-Y14 HydrophobicContact CD1-CD2 4.39Å; F12-Y14 AromaticContact CE1-CD2 3.79Å; F12-Y14 HydrophobicContact CE1-CD2 3.79Å; F12-Y14 HydrophobicContact CE1-CG 4.29Å; F12-Y14 HydrophobicContact CZ-CD2 4.05Å; F12-Y14 PolarHBondContact O-N 2.79Å; F12-Y14 VanDerWaalsContact O-N 3.08Å; F12-Y16 WeakPolarHBondContact CE1-O 3.41Å; F12-I17 HydrophobicContact CD1-CB 4.48Å; F12-I17 HydrophobicContact CE1-CB 4.31Å; F12-I17 HydrophobicContact CE1-CG1 4.22Å; F12-I17 HydrophobicContact CZ-CG1 4.37Å; F12-V50 HydrophobicContact CD2-CG1 4.42Å; F12-V50 HydrophobicContact CE2-CB 4.44Å; F12-V50 HydrophobicContact CE2-CG1 3.74Å; F12-V50 HydrophobicContact CZ-CG1 4.04Å; F12-Y93 WeakPolarHBondContact O-CE1 3.42Å
13P89.6Confident88.5Confident19 Ų1943.1 Ų43.112%0.12322%0.221CC..SBendtrans-78.14.2-167.430.7-33.2000114.6V50 S54 V89 L90 Y93P13-V50 HydrophobicContact CG-CG1 3.47Å; P13-V50 VanDerWaalsContact CG-CG1 3.47Å; P13-S54 WeakPolarHBondContact CD-OG 3.37Å; P13-V89 HydrophobicContact CB-CG1 4.17Å; P13-L90 HydrophobicContact CB-CD1 4.17Å; P13-L90 HydrophobicContact CG-CD1 4.01Å; P13-Y93 HydrophobicContact CB-CD1 4.3Å; P13-Y93 HydrophobicContact CB-CG 4.19Å
14Y88.6Confident88.8Confident114 Ų11443 Ų4345%0.44722%0.221SC..SBendtrans-117.8158.2176.2-58.7-79.2000111.3M1 F12 Y16 V50M1-Y14 WeakPolarHBondContact CB-O 2.83Å; M1-Y14 PolarHBondContact N-O 3.18Å; F12-Y14 HydrophobicContact CD1-CD2 4.39Å; F12-Y14 AromaticContact CE1-CD2 3.79Å; F12-Y14 HydrophobicContact CE1-CD2 3.79Å; F12-Y14 HydrophobicContact CE1-CG 4.29Å; F12-Y14 HydrophobicContact CZ-CD2 4.05Å; F12-Y14 PolarHBondContact O-N 2.79Å; F12-Y14 VanDerWaalsContact O-N 3.08Å; Y14-Y16 VanDerWaalsContact C-N 3.32Å; Y14-V50 HydrophobicContact CD2-CG1 3.99Å; Y14-V50 HydrophobicContact CE2-CB 4.33Å; Y14-V50 HydrophobicContact CE2-CG1 3.58Å; Y14-V50 HydrophobicContact CE2-CG2 4Å
15E84.5Confident89Confident147 Ų14739.2 Ų39.269%0.68720%0.2SC*.SBendtrans-71-28.9176.9-66.7-178.3167.100112.7
16Y86Confident89.3Confident85 Ų8539.8 Ų39.833%0.33320%0.203SC..  trans-120.5153-177.1-53.1-86.5000110.6F12 Y14 L735 L739 T741F12-Y16 WeakPolarHBondContact CE1-O 3.41Å; Y14-Y16 VanDerWaalsContact C-N 3.32Å; Y16-L735 HydrophobicContact CD1-CD2 3.77Å; Y16-L735 HydrophobicContact CE1-CD2 3.44Å; Y16-L735 VanDerWaalsContact CE1-CD2 3.44Å; Y16-L739 HydrophobicContact CG-CD2 4.37Å; Y16-T741 HydrophobicContact CD1-CG2 3.99Å; Y16-T741 HydrophobicContact CE1-CG2 3.83Å
17I88.3Confident89.7Confident1 Ų137.3 Ų37.31%0.00519%0.189CC..BIsolated β-bridgetrans-127.2151.9173.8-166.3175.8000110M1 I3 F12 Q21 M25 L740 I745M1-I17 HydrophobicContact CE-CB 3.53Å; M1-I17 HydrophobicContact CE-CG2 3.52Å; I3-I17 HydrophobicContact CD1-CB 4.35Å; I3-I17 HydrophobicContact CD1-CD1 3.47Å; I3-I17 VanDerWaalsContact CD1-CD1 3.47Å; I3-I17 HydrophobicContact CD1-CG1 4.39Å; F12-I17 HydrophobicContact CD1-CB 4.48Å; F12-I17 HydrophobicContact CE1-CB 4.31Å; F12-I17 HydrophobicContact CE1-CG1 4.22Å; F12-I17 HydrophobicContact CZ-CG1 4.37Å; I17-Q21 HydrophobicContact CD1-CB 3.91Å; I17-Q21 HydrophobicContact CG1-CB 3.65Å; I17-M25 HydrophobicContact CD1-CE 3.22Å; I17-L740 HydrophobicContact CG2-CB 3.88Å; I17-L740 PolarHBondContact N-O 2.87Å; I17-L740 VanDerWaalsContact N-O 3.11Å; I17-L740 WeakPolarHBondContact O-CB 3.36Å; I17-L740 PolarHBondContact O-N 3.41Å; I17-I745 HydrophobicContact CG2-CD1 3.52Å; I17-I745 HydrophobicContact CG2-CG1 4.06Å
18Y88.1Confident90.2Very high45 Ų4534 Ų3418%0.17615%0.154CC..  trans-83.9148.4168.7-55.3-41.1000111.9E20 Q21 Y22 T46 K672 A738 L739Y18-E20 WeakPolarHBondContact CB-OE2 3.42Å; Y18-E20 PolarHBondContact O-N 3.3Å; Y18-Q21 HydrophobicContact CD2-CG 4.06Å; Y18-Q21 HydrophobicContact CG-CG 4.46Å; Y18-Q21 WeakPolarHBondContact O-CB 3.31Å; Y18-Q21 PolarHBondContact O-N 3.23Å; Y18-Q21 VanDerWaalsContact O-N 3.1Å; Y18-Y22 PolarHBondContact O-N 3.27Å; Y18-T46 WeakPolarHBondContact CD2-O 3.47Å; Y18-K672 HydrophobicContact CD1-CD 3.81Å; Y18-K672 HydrophobicContact CE1-CD 3.61Å; Y18-K672 HydrophobicContact CE1-CG 4.04Å; Y18-K672 HydrophobicContact CE2-CG 4.41Å; Y18-K672 HydrophobicContact CG-CD 4.28Å; Y18-K672 VanDerWaalsContact CG-CE 3.49Å; Y18-A738 WeakPolarHBondContact CD1-O 3.37Å; Y18-L739 HydrophobicContact CD1-CD2 3.73Å; Y18-L739 HydrophobicContact CE1-CD2 3.38Å; Y18-L739 HydrophobicContact CE1-CG 4.22Å
19P87.1Confident90.4Very high16 Ų1634 Ų3410%0.10415%0.154CC..Hα-helixtrans-53.7-41.5173.8-22.429.6000112.5Q21 Y22 H23 L737 A738 L740P19-Q21 VanDerWaalsContact C-N 3.33Å; P19-Q21 PolarHBondContact O-N 2.86Å; P19-Y22 PolarHBondContact O-N 3.08Å; P19-H23 PolarHBondContact O-CD2 3.24Å; P19-H23 PolarHBondContact O-N 3.36Å; P19-L737 WeakPolarHBondContact CG-O 3.2Å; P19-A738 VanDerWaalsContact CD-O 3.23Å; P19-A738 WeakPolarHBondContact CD-O 3.39Å; P19-L740 HydrophobicContact CB-CD1 4.02Å; P19-L740 HydrophobicContact CG-CD1 3.8Å; P19-L740 HydrophobicContact CG-CD2 4.31Å; P19-L740 HydrophobicContact CG-CG 3.94Å
20E88.5Confident90.4Very high5 Ų535.9 Ų35.92%0.02316%0.155CC..Hα-helixtrans-63.6-38.4179.3-45.884-139.600112.2Y18 Y22 H23 Y24 T483 T485 K672Y18-E20 WeakPolarHBondContact CB-OE2 3.42Å; Y18-E20 PolarHBondContact O-N 3.3Å; E20-Y22 VanDerWaalsContact C-N 3.31Å; E20-Y22 PolarHBondContact O-N 3.37Å; E20-H23 PolarHBondContact O-N 3.1Å; E20-Y24 WeakPolarHBondContact O-CB 3.42Å; E20-Y24 PolarHBondContact O-N 3.1Å; E20-T483 WeakPolarHBondContact CG-O 3.4Å; E20-T485 VanDerWaalsContact OE1-CA 3.29Å; E20-T485 WeakPolarHBondContact OE1-CA 3.47Å; E20-T485 WeakPolarHBondContact OE1-CB 3.49Å; E20-T485 PolarHBondContact OE1-N 3.08Å; E20-T485 PolarHBondContact OE1-OG1 3.09Å; E20-K672 VanDerWaalsContact CD-NZ 3.31Å; E20-K672 IonicContact OE1-NZ 3.26Å; E20-K672 PolarHBondContact OE1-NZ 3.48Å; E20-K672 WeakPolarHBondContact OE2-CE 3.13Å; E20-K672 IonicContact OE2-NZ 3.04Å; E20-K672 PolarHBondContact OE2-NZ 2.86Å
21Q91.2Very high90.5Very high10 Ų1035.9 Ų35.95%0.04716%0.155CC..Hα-helixtrans-63.6-39.2177.1-71.6172.6-31.800111.2I17 Y18 P19 M25 T46I17-Q21 HydrophobicContact CD1-CB 3.91Å; I17-Q21 HydrophobicContact CG1-CB 3.65Å; Y18-Q21 HydrophobicContact CD2-CG 4.06Å; Y18-Q21 HydrophobicContact CG-CG 4.46Å; Y18-Q21 WeakPolarHBondContact O-CB 3.31Å; Y18-Q21 PolarHBondContact O-N 3.23Å; Y18-Q21 VanDerWaalsContact O-N 3.1Å; P19-Q21 VanDerWaalsContact C-N 3.33Å; P19-Q21 PolarHBondContact O-N 2.86Å; Q21-M25 WeakPolarHBondContact O-CE 3.38Å; Q21-M25 WeakPolarHBondContact O-CG 3.48Å; Q21-M25 PolarHBondContact O-N 3.25Å; Q21-T46 VanDerWaalsContact CD-O 3.24Å; Q21-T46 WeakPolarHBondContact CG-O 3.43Å; Q21-T46 PolarHBondContact NE2-O 3.46Å
22Y90.4Very high90.5Very high5 Ų534.2 Ų34.22%0.0215%0.148CC..Hα-helixtrans-65.2-48.6176.6-179.3-104000111.5I3 I5 Y18 P19 E20 Y24 M25 I26 I745 I749I3-Y22 HydrophobicContact CG2-CD2 4.04Å; I3-Y22 HydrophobicContact CG2-CE2 4.04Å; I5-Y22 HydrophobicContact CG1-CE2 4.35Å; Y18-Y22 PolarHBondContact O-N 3.27Å; P19-Y22 PolarHBondContact O-N 3.08Å; E20-Y22 VanDerWaalsContact C-N 3.31Å; E20-Y22 PolarHBondContact O-N 3.37Å; Y22-Y24 VanDerWaalsContact C-N 3.34Å; Y22-Y24 PolarHBondContact O-N 3.35Å; Y22-M25 PolarHBondContact O-N 3.49Å; Y22-I26 HydrophobicContact CD1-CD1 3.83Å; Y22-I26 HydrophobicContact CE1-CD1 3.34Å; Y22-I26 HydrophobicContact CE1-CG1 4.37Å; Y22-I26 PolarHBondContact O-N 3.01Å; Y22-I26 VanDerWaalsContact O-N 3.09Å; Y22-I745 HydrophobicContact CD2-CG2 4.37Å; Y22-I745 HydrophobicContact CE2-CG2 3.99Å; Y22-I749 WeakPolarHBondContact OH-CG1 3.48Å
23H90.3Very high90.5Very high84 Ų8436.8 Ų36.839%0.38916%0.163SC..Hα-helixtrans-62.6-39.8176-69-59.5000112.6P19 E20 M25 I26 E27 F482P19-H23 PolarHBondContact O-CD2 3.24Å; P19-H23 PolarHBondContact O-N 3.36Å; E20-H23 PolarHBondContact O-N 3.1Å; H23-M25 VanDerWaalsContact C-N 3.33Å; H23-M25 PolarHBondContact O-N 2.94Å; H23-I26 PolarHBondContact O-N 3.45Å; H23-E27 PolarHBondContact O-N 3.48Å; H23-F482 HydrophobicContact CB-CD1 4.14Å; H23-F482 HydrophobicContact CB-CE1 3.87Å
24Y93.1Very high90.6Very high0 Ų038.7 Ų38.70%018%0.179CC..Hα-helixtrans-58.2-45.7174.5-176.8-94.1000111.6E20 Y22 I26 E27 L28 L40 M42 L52 T458 F482E20-Y24 WeakPolarHBondContact O-CB 3.42Å; E20-Y24 PolarHBondContact O-N 3.1Å; Y22-Y24 VanDerWaalsContact C-N 3.34Å; Y22-Y24 PolarHBondContact O-N 3.35Å; Y24-I26 PolarHBondContact O-N 3.47Å; Y24-E27 PolarHBondContact O-N 2.92Å; Y24-L28 HydrophobicContact CD1-CD2 4.44Å; Y24-L28 HydrophobicContact CE1-CD2 3.87Å; Y24-L28 WeakPolarHBondContact O-CB 3.43Å; Y24-L28 PolarHBondContact O-N 3.37Å; Y24-L40 HydrophobicContact CD2-CB 4.45Å; Y24-L40 HydrophobicContact CD2-CD1 4.49Å; Y24-L40 HydrophobicContact CE2-CB 3.75Å; Y24-L40 HydrophobicContact CE2-CD1 3.91Å; Y24-L40 HydrophobicContact CE2-CG 4.48Å; Y24-M42 WeakPolarHBondContact CB-SD 3.36Å; Y24-M42 HydrophobicContact CD1-CE 3.8Å; Y24-M42 HydrophobicContact CD1-SD 4.25Å; Y24-M42 HydrophobicContact CD2-CB 3.89Å; Y24-M42 HydrophobicContact CD2-CE 3.65Å; Y24-M42 HydrophobicContact CD2-CG 4.24Å; Y24-M42 HydrophobicContact CD2-SD 3.39Å; Y24-M42 WeakPolarHBondContact CD2-SD 3.38Å; Y24-M42 HydrophobicContact CE1-CE 4.06Å; Y24-M42 HydrophobicContact CE2-CB 3.97Å; Y24-M42 HydrophobicContact CE2-CE 3.92Å; Y24-M42 HydrophobicContact CE2-SD 4.15Å; Y24-M42 HydrophobicContact CG-CE 3.59Å; Y24-M42 HydrophobicContact CG-SD 3.45Å; Y24-L52 HydrophobicContact CE1-CB 4.15Å; Y24-L52 HydrophobicContact CE1-CD1 4.46Å; Y24-T458 PolarHBondContact OH-OG1 3.37Å; Y24-F482 AromaticContact CD2-CD2 3.87Å; Y24-F482 HydrophobicContact CD2-CD2 3.87Å; Y24-F482 AromaticContact CD2-CE2 3.46Å; Y24-F482 HydrophobicContact CD2-CE2 3.46Å; Y24-F482 VanDerWaalsContact CD2-CE2 3.46Å; Y24-F482 HydrophobicContact CD2-CZ 4.18Å; Y24-F482 HydrophobicContact CE2-CE2 4.27Å; Y24-F482 HydrophobicContact CG-CE2 4.3Å
25M93.2Very high90.7Very high0 Ų039.8 Ų39.80%019%0.187CC..Hα-helixtrans-67.3-33.5178.7-73.5-173.8-70.500113.2I3 I5 V10 I17 Q21 Y22 H23 K29 L55I3-M25 HydrophobicContact CD1-CE 4.33Å; I5-M25 HydrophobicContact CD1-CB 3.39Å; I5-M25 HydrophobicContact CD1-CE 3.51Å; I5-M25 HydrophobicContact CD1-CG 4Å; I5-M25 HydrophobicContact CD1-SD 3.42Å; I5-M25 WeakPolarHBondContact CD1-SD 3.32Å; I5-M25 HydrophobicContact CG2-CB 4.4Å; V10-M25 HydrophobicContact CG1-SD 4.26Å; I17-M25 HydrophobicContact CD1-CE 3.22Å; Q21-M25 WeakPolarHBondContact O-CE 3.38Å; Q21-M25 WeakPolarHBondContact O-CG 3.48Å; Q21-M25 PolarHBondContact O-N 3.25Å; Y22-M25 PolarHBondContact O-N 3.49Å; H23-M25 VanDerWaalsContact C-N 3.33Å; H23-M25 PolarHBondContact O-N 2.94Å; M25-K29 VanDerWaalsContact O-CB 3.25Å; M25-K29 WeakPolarHBondContact O-CB 3.34Å; M25-K29 PolarHBondContact O-N 2.87Å; M25-L55 HydrophobicContact CB-CD1 4.34Å; M25-L55 HydrophobicContact CB-CD2 4.34Å; M25-L55 HydrophobicContact CG-CB 4.13Å; M25-L55 WeakPolarHBondContact O-CD2 3.38Å; M25-L55 HydrophobicContact SD-CB 4.33Å
26I92.9Very high91Very high12 Ų1233.2 Ų33.26%0.06216%0.158CC..Hα-helixtrans-62.7-52173-70.1168.6000110.4I5 Y22 H23 Y24 L28 K29 R30I5-I26 HydrophobicContact CG2-CG1 3.87Å; Y22-I26 HydrophobicContact CD1-CD1 3.83Å; Y22-I26 HydrophobicContact CE1-CD1 3.34Å; Y22-I26 HydrophobicContact CE1-CG1 4.37Å; Y22-I26 PolarHBondContact O-N 3.01Å; Y22-I26 VanDerWaalsContact O-N 3.09Å; H23-I26 PolarHBondContact O-N 3.45Å; Y24-I26 PolarHBondContact O-N 3.47Å; I26-L28 VanDerWaalsContact C-N 3.34Å; I26-L28 PolarHBondContact O-N 2.99Å; I26-K29 PolarHBondContact O-N 2.59Å; I26-R30 WeakPolarHBondContact O-CG 3.48Å; I26-R30 PolarHBondContact O-N 3.29Å
27E93Very high91.4Very high31 Ų3130.7 Ų30.715%0.14515%0.15CC..Hα-helixtrans-65.7-39.3-178.6-70.8-57.5137.600112H23 Y24 K29 R30 T31 L40 N478 V480 F482H23-E27 PolarHBondContact O-N 3.48Å; Y24-E27 PolarHBondContact O-N 2.92Å; E27-K29 PolarHBondContact O-N 3.04Å; E27-R30 WeakPolarHBondContact O-CB 3.33Å; E27-R30 PolarHBondContact O-N 3.35Å; E27-R30 IonicContact OE1-CZ 3.5Å; E27-R30 IonicContact OE1-NE 4Å; E27-R30 IonicContact OE1-NH1 2.71Å; E27-R30 PolarHBondContact OE1-NH1 3.23Å; E27-T31 WeakPolarHBondContact O-CG2 3.15Å; E27-T31 PolarHBondContact O-N 3.35Å; E27-T31 PolarHBondContact O-OG1 3.14Å; E27-L40 HydrophobicContact CB-CD2 4.35Å; E27-N478 PolarHBondContact OE2-ND2 3.47Å; E27-V480 HydrophobicContact CG-CG1 4.42Å; E27-V480 HydrophobicContact CG-CG2 4.16Å; E27-F482 HydrophobicContact CB-CZ 3.98Å; E27-F482 HydrophobicContact CG-CE1 4.25Å; E27-F482 HydrophobicContact CG-CZ 3.95Å
28L93.4Very high91.6Very high0 Ų030.7 Ų30.70%015%0.149CC..Hα-helixtrans-62.4-42.9173.4-17563.3000111.2Y24 I26 R30 T31 I32 L40 L52 L55 I456Y24-L28 HydrophobicContact CD1-CD2 4.44Å; Y24-L28 HydrophobicContact CE1-CD2 3.87Å; Y24-L28 WeakPolarHBondContact O-CB 3.43Å; Y24-L28 PolarHBondContact O-N 3.37Å; I26-L28 VanDerWaalsContact C-N 3.34Å; I26-L28 PolarHBondContact O-N 2.99Å; L28-R30 PolarHBondContact O-N 3.29Å; L28-T31 WeakPolarHBondContact CA-OG1 3.36Å; L28-T31 PolarHBondContact O-N 2.98Å; L28-T31 PolarHBondContact O-OG1 3.33Å; L28-I32 HydrophobicContact CD1-CD1 4.32Å; L28-I32 HydrophobicContact CG-CD1 4.12Å; L28-I32 VanDerWaalsContact O-CG1 3.32Å; L28-I32 WeakPolarHBondContact O-CG1 3.4Å; L28-I32 PolarHBondContact O-N 3.44Å; L28-I32 VanDerWaalsContact O-N 3.15Å; L28-L40 HydrophobicContact CB-CD1 4.22Å; L28-L40 HydrophobicContact CD1-CD1 3.92Å; L28-L52 HydrophobicContact CD2-CB 4.36Å; L28-L52 HydrophobicContact CD2-CD1 4.43Å; L28-L52 HydrophobicContact CD2-CG 3.9Å; L28-L55 HydrophobicContact CB-CD2 3.64Å; L28-L55 HydrophobicContact CD2-CB 4.46Å; L28-L55 HydrophobicContact CD2-CD2 3.52Å; L28-L55 HydrophobicContact CG-CD2 3.53Å; L28-I456 HydrophobicContact CD1-CD1 3.41Å; L28-I456 VanDerWaalsContact CD1-CD1 3.41Å; L28-I456 HydrophobicContact CD1-CG1 3.82Å; L28-I456 HydrophobicContact CD1-CG2 4.03Å
29K93.6Very high91.9Very high13 Ų1328.5 Ų28.56%0.05714%0.141CC..Hα-helixtrans-62.5-42.6174.9-177.5179169.8-63.90111.6I5 D6 L8 M25 I26 E27 T31 I32 D33 L55I5-K29 HydrophobicContact CG2-CD 4.13Å; I5-K29 VanDerWaalsContact O-CD 3.31Å; I5-K29 WeakPolarHBondContact O-CD 3.45Å; I5-K29 VanDerWaalsContact O-CE 3.27Å; I5-K29 WeakPolarHBondContact O-CE 3.41Å; D6-K29 HydrophobicContact CB-CD 4.09Å; D6-K29 VanDerWaalsContact O-CE 3.27Å; D6-K29 WeakPolarHBondContact O-CE 3.4Å; D6-K29 PolarHBondContact O-NZ 3.09Å; D6-K29 VanDerWaalsContact O-NZ 3.14Å; L8-K29 HydrophobicContact CB-CD 4.37Å; M25-K29 VanDerWaalsContact O-CB 3.25Å; M25-K29 WeakPolarHBondContact O-CB 3.34Å; M25-K29 PolarHBondContact O-N 2.87Å; I26-K29 PolarHBondContact O-N 2.59Å; E27-K29 PolarHBondContact O-N 3.04Å; K29-T31 PolarHBondContact O-N 3.08Å; K29-I32 PolarHBondContact O-N 3.19Å; K29-D33 WeakPolarHBondContact CG-OD2 3.45Å; K29-D33 IonicContact NZ-OD2 3.98Å; K29-D33 PolarHBondContact NZ-OD2 3.08Å; K29-D33 VanDerWaalsContact O-CB 3.31Å; K29-D33 WeakPolarHBondContact O-CB 3.48Å; K29-D33 PolarHBondContact O-N 3.42Å; K29-L55 HydrophobicContact CB-CD1 4.34Å; K29-L55 HydrophobicContact CB-CD2 4.16Å
30R92.9Very high92.2Very high126 Ų12627.8 Ų27.848%0.47514%0.136SC..Hα-helixtrans-59.4-44.8176.9-73.5172.4179.5-176-6.4112.2I26 E27 L28 D33 A34I26-R30 WeakPolarHBondContact O-CG 3.48Å; I26-R30 PolarHBondContact O-N 3.29Å; E27-R30 WeakPolarHBondContact O-CB 3.33Å; E27-R30 PolarHBondContact O-N 3.35Å; E27-R30 IonicContact OE1-CZ 3.5Å; E27-R30 IonicContact OE1-NE 4Å; E27-R30 IonicContact OE1-NH1 2.71Å; E27-R30 PolarHBondContact OE1-NH1 3.23Å; L28-R30 PolarHBondContact O-N 3.29Å; R30-D33 PolarHBondContact O-N 2.97Å; R30-A34 VanDerWaalsContact O-CB 3.28Å; R30-A34 WeakPolarHBondContact O-CB 3.37Å; R30-A34 PolarHBondContact O-N 2.68Å
31T92.7Very high92.3Very high0 Ų027.7 Ų27.70%014%0.136CC..Hα-helixtrans-62.6-41.8177.653.30000113E27 L28 K29 K35 G36 N478E27-T31 WeakPolarHBondContact O-CG2 3.15Å; E27-T31 PolarHBondContact O-N 3.35Å; E27-T31 PolarHBondContact O-OG1 3.14Å; L28-T31 WeakPolarHBondContact CA-OG1 3.36Å; L28-T31 PolarHBondContact O-N 2.98Å; L28-T31 PolarHBondContact O-OG1 3.33Å; K29-T31 PolarHBondContact O-N 3.08Å; T31-K35 PolarHBondContact O-N 2.74Å; T31-G36 PolarHBondContact O-N 3.05Å; T31-N478 HydrophobicContact CG2-CB 3.51Å
32I92.1Very high92.2Very high4 Ų427.2 Ų27.22%0.02113%0.134CC..Hα-helixtrans-70-44.1178-62.6166000110.9L28 K29 A34 K35 I56 Y59 V67 V231 I456L28-I32 HydrophobicContact CD1-CD1 4.32Å; L28-I32 HydrophobicContact CG-CD1 4.12Å; L28-I32 VanDerWaalsContact O-CG1 3.32Å; L28-I32 WeakPolarHBondContact O-CG1 3.4Å; L28-I32 PolarHBondContact O-N 3.44Å; L28-I32 VanDerWaalsContact O-N 3.15Å; K29-I32 PolarHBondContact O-N 3.19Å; I32-A34 VanDerWaalsContact C-N 3.27Å; I32-A34 PolarHBondContact O-N 2.81Å; I32-K35 PolarHBondContact O-N 3.16Å; I32-K35 VanDerWaalsContact O-N 3.08Å; I32-I56 HydrophobicContact CD1-CD1 3.36Å; I32-Y59 HydrophobicContact CG2-CD1 4.19Å; I32-Y59 HydrophobicContact CG2-CD2 4.42Å; I32-Y59 HydrophobicContact CG2-CE1 3.72Å; I32-Y59 HydrophobicContact CG2-CE2 3.97Å; I32-V67 HydrophobicContact CG2-CG2 4.29Å; I32-V231 HydrophobicContact CG2-CG2 4.47Å; I32-I456 HydrophobicContact CG1-CD1 4.33Å
33D92Very high92Very high56 Ų5627 Ų2730%0.29913%0.133SC..Hα-helixtrans-61.5-36.3177.4-78.4-22.6000111.7K29 R30 K35 Y59 R63K29-D33 WeakPolarHBondContact CG-OD2 3.45Å; K29-D33 IonicContact NZ-OD2 3.98Å; K29-D33 PolarHBondContact NZ-OD2 3.08Å; K29-D33 VanDerWaalsContact O-CB 3.31Å; K29-D33 WeakPolarHBondContact O-CB 3.48Å; K29-D33 PolarHBondContact O-N 3.42Å; R30-D33 PolarHBondContact O-N 2.97Å; D33-K35 VanDerWaalsContact C-N 3.26Å; D33-K35 PolarHBondContact O-N 2.89Å; D33-Y59 VanDerWaalsContact OD1-CE2 3.25Å; D33-Y59 WeakPolarHBondContact OD1-CE2 3.49Å; D33-Y59 PolarHBondContact OD1-OH 2.94Å; D33-R63 IonicContact OD1-CZ 3.82Å; D33-R63 IonicContact OD1-NH1 3.93Å; D33-R63 PolarHBondContact OD1-NH1 3.03Å
34A91.5Very high91.5Very high58 Ų5823.8 Ų23.848%0.47912%0.119SC..THydrogen-bonded Turntrans-76.5-6.1176.600000114.4R30 I32 G36 V477R30-A34 VanDerWaalsContact O-CB 3.28Å; R30-A34 WeakPolarHBondContact O-CB 3.37Å; R30-A34 PolarHBondContact O-N 2.68Å; I32-A34 VanDerWaalsContact C-N 3.27Å; I32-A34 PolarHBondContact O-N 2.81Å; A34-G36 VanDerWaalsContact C-N 3.28Å; A34-G36 PolarHBondContact O-N 3.02Å; A34-V477 HydrophobicContact CB-CG1 3.91Å
35K89.9Confident90.7Very high138 Ų13824.9 Ų24.960%0.613%0.131SC*.THydrogen-bonded Turntrans52.343.7-176.4-63-173.9179.9-1770113.4T31 I32 D33 T453T31-K35 PolarHBondContact O-N 2.74Å; I32-K35 PolarHBondContact O-N 3.16Å; I32-K35 VanDerWaalsContact O-N 3.08Å; D33-K35 VanDerWaalsContact C-N 3.26Å; D33-K35 PolarHBondContact O-N 2.89Å; K35-T453 CarbonylContact C-O 3.53Å; K35-T453 HydrophobicContact CB-CG2 3.55Å; K35-T453 HydrophobicContact CD-CG2 4Å; K35-T453 HydrophobicContact CG-CG2 3.69Å
36G90.6Very high89.9Confident9 Ų924.9 Ų24.99%0.09313%0.131CC..SBendtrans-132-175.6176.900000113.2T31 A34 S454T31-G36 PolarHBondContact O-N 3.05Å; A34-G36 VanDerWaalsContact C-N 3.28Å; A34-G36 PolarHBondContact O-N 3.02Å; G36-S454 PolarHBondContact N-OG 3.13Å; G36-S454 WeakPolarHBondContact O-CA 3.46Å; G36-S454 VanDerWaalsContact O-CB 3.23Å; G36-S454 WeakPolarHBondContact O-CB 3.48Å; G36-S454 PolarHBondContact O-OG 3.07Å
37H94.2Very high89.4Confident32 Ų3225.5 Ų25.515%0.14814%0.141CC..  trans-88.2155.8179.9-46.3-56000111.1M449 V455 F474 P476 V477H37-M449 PolarHBondContact CE1-O 2.94Å; H37-M449 VanDerWaalsContact CE1-O 3.24Å; H37-M449 PolarHBondContact NE2-O 3.15Å; H37-V455 CarbonylContact C-O 3.6Å; H37-V455 WeakPolarHBondContact CA-O 3.2Å; H37-V455 WeakPolarHBondContact CB-O 3.31Å; H37-V455 PolarHBondContact ND1-N 2.92Å; H37-F474 HydrophobicContact CB-CD2 4.12Å; H37-F474 HydrophobicContact CB-CE2 4.26Å; H37-P476 CarbonylContact O-C 3.57Å; H37-P476 WeakPolarHBondContact O-CA 3.21Å; H37-V477 PolarHBondContact O-N 3.11Å
38G92.9Very high89.1Confident0 Ų024.9 Ų24.90%014%0.137CC..EExtended strand (participates in β ladder)trans-140.1144.7179.600000112.2V455 I456 I457 N478G38-V455 PolarHBondContact N-O 3.04Å; G38-I456 WeakPolarHBondContact O-CA 2.92Å; G38-I457 PolarHBondContact O-N 2.85Å; G38-N478 WeakPolarHBondContact CA-O 3.23Å
39V94.2Very high89Confident0 Ų025.9 Ų25.90%014%0.143CC..EExtended strand (participates in β ladder)trans-117.3111170.4-169.30000108.3I457 L462 L465 F474 P476 N478 T479 V480V39-I457 WeakPolarHBondContact CA-O 3.43Å; V39-I457 HydrophobicContact CG1-CG2 4.42Å; V39-L462 HydrophobicContact CG1-CD1 3.9Å; V39-L465 HydrophobicContact CG1-CD2 3.63Å; V39-F474 HydrophobicContact CG2-CE2 3.9Å; V39-F474 HydrophobicContact CG2-CZ 3.55Å; V39-P476 HydrophobicContact CG2-CB 4.06Å; V39-P476 HydrophobicContact CG2-CG 4.26Å; V39-N478 PolarHBondContact N-O 2.97Å; V39-T479 HydrophobicContact CB-CG2 4.46Å; V39-T479 WeakPolarHBondContact O-CA 3.14Å; V39-V480 PolarHBondContact O-N 3.39Å
40L93Very high88.9Confident0 Ų025.7 Ų25.70%014%0.143CC..EExtended strand (participates in β ladder)trans-122.3108.7-172.3-55.3177.8000110.1Y24 E27 L28 I456 I457 T458 V480 F482Y24-L40 HydrophobicContact CD2-CB 4.45Å; Y24-L40 HydrophobicContact CD2-CD1 4.49Å; Y24-L40 HydrophobicContact CE2-CB 3.75Å; Y24-L40 HydrophobicContact CE2-CD1 3.91Å; Y24-L40 HydrophobicContact CE2-CG 4.48Å; E27-L40 HydrophobicContact CB-CD2 4.35Å; L28-L40 HydrophobicContact CB-CD1 4.22Å; L28-L40 HydrophobicContact CD1-CD1 3.92Å; L40-I456 HydrophobicContact CD1-CG2 4.05Å; L40-I456 HydrophobicContact CG-CG2 4.49Å; L40-I457 PolarHBondContact N-O 3.42Å; L40-T458 VanDerWaalsContact O-CA 3.26Å; L40-T458 WeakPolarHBondContact O-CA 3.45Å; L40-T458 WeakPolarHBondContact O-CB 3.29Å; L40-T458 PolarHBondContact O-OG1 3.5Å; L40-V480 HydrophobicContact CD2-CB 4.1Å; L40-V480 HydrophobicContact CD2-CG2 4.4Å; L40-F482 HydrophobicContact CB-CE2 4.41Å; L40-F482 HydrophobicContact CD2-CE2 4.5Å
41E91.7Very high88.9Confident4 Ų419.7 Ų19.72%0.01912%0.121CC..EExtended strand (participates in β ladder)trans-88.8111.6173.1178.1-167-174.100109.7S459 L462 L465 V480 S481 F482 P695E41-S459 WeakPolarHBondContact CA-O 3.3Å; E41-L462 HydrophobicContact CB-CB 4.21Å; E41-L462 HydrophobicContact CG-CB 4.42Å; E41-L465 HydrophobicContact CB-CD1 4.43Å; E41-L465 HydrophobicContact CB-CD2 3.99Å; E41-V480 PolarHBondContact N-O 3.45Å; E41-S481 VanDerWaalsContact OE2-CB 3.23Å; E41-S481 WeakPolarHBondContact OE2-CB 3.49Å; E41-S481 PolarHBondContact OE2-OG 2.95Å; E41-F482 WeakPolarHBondContact O-CD2 3.47Å; E41-F482 PolarHBondContact O-N 3.24Å; E41-P695 WeakPolarHBondContact OE1-CB 3.32Å
42M89.1Confident89Confident0 Ų019.8 Ų19.80%012%0.121CC..  trans-119129175.1-172153.670.700111.2Y24 T46 K48 S459 G460 F482Y24-M42 WeakPolarHBondContact CB-SD 3.36Å; Y24-M42 HydrophobicContact CD1-CE 3.8Å; Y24-M42 HydrophobicContact CD1-SD 4.25Å; Y24-M42 HydrophobicContact CD2-CB 3.89Å; Y24-M42 HydrophobicContact CD2-CE 3.65Å; Y24-M42 HydrophobicContact CD2-CG 4.24Å; Y24-M42 HydrophobicContact CD2-SD 3.39Å; Y24-M42 WeakPolarHBondContact CD2-SD 3.38Å; Y24-M42 HydrophobicContact CE1-CE 4.06Å; Y24-M42 HydrophobicContact CE2-CB 3.97Å; Y24-M42 HydrophobicContact CE2-CE 3.92Å; Y24-M42 HydrophobicContact CE2-SD 4.15Å; Y24-M42 HydrophobicContact CG-CE 3.59Å; Y24-M42 HydrophobicContact CG-SD 3.45Å; M42-T46 WeakPolarHBondContact CG-OG1 3.32Å; M42-K48 HydrophobicContact CB-CD 3.8Å; M42-K48 HydrophobicContact CB-CG 4.03Å; M42-K48 HydrophobicContact CE-CB 3.33Å; M42-K48 HydrophobicContact CE-CD 4.26Å; M42-K48 HydrophobicContact CE-CG 3.34Å; M42-K48 HydrophobicContact CG-CD 4.27Å; M42-K48 HydrophobicContact CG-CG 3.97Å; M42-K48 VanDerWaalsContact O-CD 3.31Å; M42-K48 WeakPolarHBondContact O-CD 3.49Å; M42-K48 PolarHBondContact O-NZ 2.89Å; M42-S459 PolarHBondContact N-O 3.26Å; M42-G460 WeakPolarHBondContact O-CA 3.46Å; M42-F482 HydrophobicContact CB-CD2 4.16Å; M42-F482 HydrophobicContact CG-CD2 4.5Å
43P85.5Confident89.1Confident0 Ų019.7 Ų19.70%012%0.121CC..  trans-56.5147.8-174.5-25.834000113.3T46 F482 M484 W697P43-T46 HydrophobicContact CB-CG2 3.99Å; P43-T46 PolarHBondContact O-OG1 2.83Å; P43-F482 VanDerWaalsContact CD-O 3.3Å; P43-F482 WeakPolarHBondContact CD-O 3.46Å; P43-F482 VanDerWaalsContact CG-O 3.26Å; P43-F482 WeakPolarHBondContact CG-O 3.4Å; P43-M484 HydrophobicContact CB-CB 4.26Å; P43-M484 HydrophobicContact CG-CB 4.08Å; P43-W697 HydrophobicContact CB-CB 4.31Å; P43-W697 HydrophobicContact CB-CD2 4.25Å; P43-W697 HydrophobicContact CB-CG 3.88Å; P43-W697 HydrophobicContact CG-CB 3.91Å; P43-W697 HydrophobicContact CG-CG 3.89Å
44S80Confident89.1Confident16 Ų1617 Ų1711%0.11211%0.107CC..THydrogen-bonded Turntrans-59.9145174.4-60.80000111.5T46 G666S44-T46 VanDerWaalsContact C-N 3.3Å; S44-T46 PolarHBondContact O-N 2.82Å; S44-G666 WeakPolarHBondContact CB-O 3.16Å
45G75.6Confident89.3Confident23 Ų2314.3 Ų14.324%0.2378%0.084CC..THydrogen-bonded Turntrans783.6178.800000116.4G47 R670G45-G47 VanDerWaalsContact C-N 3.34Å; G45-R670 VanDerWaalsContact CA-C 3.45Å; G45-R670 WeakPolarHBondContact CA-O 3.47Å
46T76.2Confident89.4Confident0 Ų07.9 Ų7.90%06%0.056CC..SBendtrans-89.57.2176.759.40000113.5Y18 Q21 M42 P43 S44 M484Y18-T46 WeakPolarHBondContact CD2-O 3.47Å; Q21-T46 VanDerWaalsContact CD-O 3.24Å; Q21-T46 WeakPolarHBondContact CG-O 3.43Å; Q21-T46 PolarHBondContact NE2-O 3.46Å; M42-T46 WeakPolarHBondContact CG-OG1 3.32Å; P43-T46 HydrophobicContact CB-CG2 3.99Å; P43-T46 PolarHBondContact O-OG1 2.83Å; S44-T46 VanDerWaalsContact C-N 3.3Å; S44-T46 PolarHBondContact O-N 2.82Å; T46-M484 HydrophobicContact CG2-CG 4.42Å; T46-M484 HydrophobicContact CG2-SD 4.44Å
47G82.5Confident89.5Confident26 Ų267.5 Ų7.527%0.2685%0.052SC..  trans71.549.4178.600000113.9G45 S51G45-G47 VanDerWaalsContact C-N 3.34Å; G47-S51 PolarHBondContact O-N 3.32Å; G47-S51 PolarHBondContact O-OG 2.77Å
48K88.3Confident89.4Confident18 Ų186.2 Ų6.28%0.0785%0.047CC..Hα-helixtrans-60.9-45.6-178.5-44.2-173.2-86-1230114.7M42 S51 L52 E236 G460M42-K48 HydrophobicContact CB-CD 3.8Å; M42-K48 HydrophobicContact CB-CG 4.03Å; M42-K48 HydrophobicContact CE-CB 3.33Å; M42-K48 HydrophobicContact CE-CD 4.26Å; M42-K48 HydrophobicContact CE-CG 3.34Å; M42-K48 HydrophobicContact CG-CD 4.27Å; M42-K48 HydrophobicContact CG-CG 3.97Å; M42-K48 VanDerWaalsContact O-CD 3.31Å; M42-K48 WeakPolarHBondContact O-CD 3.49Å; M42-K48 PolarHBondContact O-NZ 2.89Å; K48-S51 PolarHBondContact O-N 2.88Å; K48-S51 PolarHBondContact O-OG 2.77Å; K48-L52 VanDerWaalsContact O-CB 3.23Å; K48-L52 WeakPolarHBondContact O-CB 3.43Å; K48-L52 PolarHBondContact O-N 3.37Å; K48-E236 WeakPolarHBondContact CE-OE1 3.32Å; K48-E236 IonicContact NZ-OE1 2.73Å; K48-E236 PolarHBondContact NZ-OE1 3.11Å; K48-G460 VanDerWaalsContact NZ-N 3.18Å
49T90.8Very high89.4Confident20 Ų206.4 Ų6.412%0.1235%0.047CC..Hα-helixtrans-65.9-47-175.2-56.70000110S51 L52 L53 Y72 V83 E86T49-S51 PolarHBondContact O-N 3.29Å; T49-L52 PolarHBondContact O-N 2.92Å; T49-L53 HydrophobicContact CG2-CD1 3.9Å; T49-L53 HydrophobicContact CG2-CG 4.28Å; T49-L53 WeakPolarHBondContact O-CB 3.24Å; T49-L53 VanDerWaalsContact O-CG 3.23Å; T49-L53 WeakPolarHBondContact O-CG 3.48Å; T49-L53 PolarHBondContact O-N 3.39Å; T49-Y72 HydrophobicContact CG2-CE2 4.28Å; T49-Y72 PolarHBondContact OG1-OH 2.92Å; T49-V83 HydrophobicContact CG2-CB 4.22Å; T49-V83 HydrophobicContact CG2-CG1 4.12Å; T49-V83 HydrophobicContact CG2-CG2 3.77Å; T49-E86 WeakPolarHBondContact CB-OE2 3.3Å; T49-E86 WeakPolarHBondContact CG2-OE2 3.43Å
50V92.2Very high89.3Confident10 Ų106.8 Ų6.86%0.0615%0.049CC..Hα-helixtrans-58.1-47.8175.1-171.60000112.7F12 P13 Y14 L53 S54 E86F12-V50 HydrophobicContact CD2-CG1 4.42Å; F12-V50 HydrophobicContact CE2-CB 4.44Å; F12-V50 HydrophobicContact CE2-CG1 3.74Å; F12-V50 HydrophobicContact CZ-CG1 4.04Å; P13-V50 HydrophobicContact CG-CG1 3.47Å; P13-V50 VanDerWaalsContact CG-CG1 3.47Å; Y14-V50 HydrophobicContact CD2-CG1 3.99Å; Y14-V50 HydrophobicContact CE2-CB 4.33Å; Y14-V50 HydrophobicContact CE2-CG1 3.58Å; Y14-V50 HydrophobicContact CE2-CG2 4Å; V50-L53 PolarHBondContact O-N 3.32Å; V50-S54 VanDerWaalsContact O-CB 3.26Å; V50-S54 WeakPolarHBondContact O-CB 3.22Å; V50-S54 PolarHBondContact O-N 2.71Å; V50-S54 PolarHBondContact O-OG 3Å; V50-E86 HydrophobicContact CG2-CG 4.16Å; V50-E86 WeakPolarHBondContact CG2-OE2 3.27Å; V50-E86 PolarHBondContact N-OE2 2.82Å
51S92.6Very high89.1Confident0 Ų010.6 Ų10.60%07%0.066CC..Hα-helixtrans-65.5-40.8-17961.90000111.9G47 K48 T49 L55G47-S51 PolarHBondContact O-N 3.32Å; G47-S51 PolarHBondContact O-OG 2.77Å; K48-S51 PolarHBondContact O-N 2.88Å; K48-S51 PolarHBondContact O-OG 2.77Å; T49-S51 PolarHBondContact O-N 3.29Å; S51-L55 PolarHBondContact O-N 2.98Å; S51-L55 VanDerWaalsContact O-N 3.16Å
52L93.9Very high89Confident2 Ų213.2 Ų13.21%0.019%0.088CC..Hα-helixtrans-61.8-53.6174.9-170.2151.2000111.3Y24 L28 K48 T49 S54 L55 I56 F70 Y72 V233Y24-L52 HydrophobicContact CE1-CB 4.15Å; Y24-L52 HydrophobicContact CE1-CD1 4.46Å; L28-L52 HydrophobicContact CD2-CB 4.36Å; L28-L52 HydrophobicContact CD2-CD1 4.43Å; L28-L52 HydrophobicContact CD2-CG 3.9Å; K48-L52 VanDerWaalsContact O-CB 3.23Å; K48-L52 WeakPolarHBondContact O-CB 3.43Å; K48-L52 PolarHBondContact O-N 3.37Å; T49-L52 PolarHBondContact O-N 2.92Å; L52-S54 VanDerWaalsContact C-N 3.33Å; L52-S54 PolarHBondContact O-N 3.1Å; L52-L55 PolarHBondContact O-N 3.49Å; L52-I56 HydrophobicContact CD2-CG1 3.98Å; L52-I56 VanDerWaalsContact O-CG1 3.29Å; L52-I56 WeakPolarHBondContact O-CG1 3.49Å; L52-I56 PolarHBondContact O-N 3.18Å; L52-F70 HydrophobicContact CD2-CE1 4.09Å; L52-F70 HydrophobicContact CD2-CE2 4.07Å; L52-F70 HydrophobicContact CD2-CZ 3.35Å; L52-Y72 HydrophobicContact CD2-CD2 4.27Å; L52-Y72 HydrophobicContact CD2-CE2 4.24Å; L52-V233 HydrophobicContact CD1-CB 4.3Å; L52-V233 HydrophobicContact CD1-CG1 3.55Å; L52-V233 HydrophobicContact CD1-CG2 3.8Å; L52-V233 HydrophobicContact CD2-CG1 4.47Å; L52-V233 HydrophobicContact CD2-CG2 4.07Å; L52-V233 HydrophobicContact CG-CG2 4.42Å
53L94Very high88.9Confident2 Ų217.7 Ų17.71%0.0111%0.105CC..Hα-helixtrans-61.1-42.1-178.5-69.2177.9000111.5T49 V50 L55 I56 V57 F70 Y72 V83 E86 L87 L90T49-L53 HydrophobicContact CG2-CD1 3.9Å; T49-L53 HydrophobicContact CG2-CG 4.28Å; T49-L53 WeakPolarHBondContact O-CB 3.24Å; T49-L53 VanDerWaalsContact O-CG 3.23Å; T49-L53 WeakPolarHBondContact O-CG 3.48Å; T49-L53 PolarHBondContact O-N 3.39Å; V50-L53 PolarHBondContact O-N 3.32Å; L53-L55 PolarHBondContact O-N 3.1Å; L53-I56 PolarHBondContact O-N 2.93Å; L53-V57 WeakPolarHBondContact O-CB 3.28Å; L53-V57 VanDerWaalsContact O-CG2 3.27Å; L53-V57 WeakPolarHBondContact O-CG2 3.28Å; L53-V57 PolarHBondContact O-N 3.41Å; L53-F70 HydrophobicContact CD2-CE1 3.77Å; L53-Y72 HydrophobicContact CD2-CD2 4.46Å; L53-V83 HydrophobicContact CD1-CG1 4.23Å; L53-E86 HydrophobicContact CD1-CB 4.25Å; L53-L87 HydrophobicContact CD1-CB 4.14Å; L53-L87 HydrophobicContact CD1-CD1 4.3Å; L53-L87 HydrophobicContact CD2-CD1 4.33Å; L53-L90 HydrophobicContact CB-CD2 4.23Å
54S93.3Very high88.6Confident0 Ų022.6 Ų22.60%014%0.137CC..Hα-helixtrans-60.6-45.5179.3-57.80000111.6P13 V50 L52 A58P13-S54 WeakPolarHBondContact CD-OG 3.37Å; V50-S54 VanDerWaalsContact O-CB 3.26Å; V50-S54 WeakPolarHBondContact O-CB 3.22Å; V50-S54 PolarHBondContact O-N 2.71Å; V50-S54 PolarHBondContact O-OG 3Å; L52-S54 VanDerWaalsContact C-N 3.33Å; L52-S54 PolarHBondContact O-N 3.1Å; S54-A58 WeakPolarHBondContact O-CB 3.47Å; S54-A58 PolarHBondContact O-N 3.3Å; S54-A58 VanDerWaalsContact O-N 3.16Å
55L93.9Very high88.6Confident0 Ų024.6 Ų24.60%016%0.16CC..Hα-helixtrans-66.6-47.3178.5-177.474.1000111.7I5 L8 V10 M25 L28 K29 S51 L52 L53 A58 Y59I5-L55 HydrophobicContact CD1-CD1 4.27Å; L8-L55 HydrophobicContact CD2-CD1 3.89Å; V10-L55 HydrophobicContact CG2-CD1 3.87Å; M25-L55 HydrophobicContact CB-CD1 4.34Å; M25-L55 HydrophobicContact CB-CD2 4.34Å; M25-L55 HydrophobicContact CG-CB 4.13Å; M25-L55 WeakPolarHBondContact O-CD2 3.38Å; M25-L55 HydrophobicContact SD-CB 4.33Å; L28-L55 HydrophobicContact CB-CD2 3.64Å; L28-L55 HydrophobicContact CD2-CB 4.46Å; L28-L55 HydrophobicContact CD2-CD2 3.52Å; L28-L55 HydrophobicContact CG-CD2 3.53Å; K29-L55 HydrophobicContact CB-CD1 4.34Å; K29-L55 HydrophobicContact CB-CD2 4.16Å; S51-L55 PolarHBondContact O-N 2.98Å; S51-L55 VanDerWaalsContact O-N 3.16Å; L52-L55 PolarHBondContact O-N 3.49Å; L53-L55 PolarHBondContact O-N 3.1Å; L55-A58 PolarHBondContact O-N 3.43Å; L55-Y59 WeakPolarHBondContact O-CB 3.35Å; L55-Y59 PolarHBondContact O-N 2.87Å
56I92.9Very high89.1Confident3 Ų326.5 Ų26.52%0.01516%0.164CC..Hα-helixtrans-64.4-44.8-176.6-63.8-65.9000111.1I32 L52 L53 A58 Y59 M60 F70 V231I32-I56 HydrophobicContact CD1-CD1 3.36Å; L52-I56 HydrophobicContact CD2-CG1 3.98Å; L52-I56 VanDerWaalsContact O-CG1 3.29Å; L52-I56 WeakPolarHBondContact O-CG1 3.49Å; L52-I56 PolarHBondContact O-N 3.18Å; L53-I56 PolarHBondContact O-N 2.93Å; I56-A58 VanDerWaalsContact C-N 3.31Å; I56-A58 PolarHBondContact O-N 2.96Å; I56-Y59 WeakPolarHBondContact O-CB 3.33Å; I56-Y59 PolarHBondContact O-N 3.47Å; I56-Y59 VanDerWaalsContact O-N 3.15Å; I56-M60 HydrophobicContact CG2-CG 4.24Å; I56-M60 HydrophobicContact CG2-SD 4.05Å; I56-M60 WeakPolarHBondContact O-CG 3.42Å; I56-M60 PolarHBondContact O-N 2.92Å; I56-F70 HydrophobicContact CB-CD2 4.43Å; I56-F70 HydrophobicContact CB-CG 4.48Å; I56-F70 HydrophobicContact CD1-CD2 4.39Å; I56-F70 HydrophobicContact CD1-CE2 4.28Å; I56-F70 HydrophobicContact CG1-CD2 4.18Å; I56-F70 HydrophobicContact CG1-CE2 3.93Å; I56-F70 HydrophobicContact CG1-CZ 4.24Å; I56-F70 HydrophobicContact CG2-CB 3.79Å; I56-F70 HydrophobicContact CG2-CD1 3.94Å; I56-F70 HydrophobicContact CG2-CD2 3.61Å; I56-F70 HydrophobicContact CG2-CE1 4.49Å; I56-F70 HydrophobicContact CG2-CE2 4.18Å; I56-F70 HydrophobicContact CG2-CG 3.49Å; I56-F70 VanDerWaalsContact CG2-CG 3.49Å; I56-V231 HydrophobicContact CD1-CG1 4.24Å
57V92.6Very high89.6Confident2 Ų226.8 Ų26.81%0.01217%0.166CC..Hα-helixtrans-60-43.7176.6170.60000110.7L53 Y59 M60 K61 L87 L90 Y94 C103 L105 I205L53-V57 WeakPolarHBondContact O-CB 3.28Å; L53-V57 VanDerWaalsContact O-CG2 3.27Å; L53-V57 WeakPolarHBondContact O-CG2 3.28Å; L53-V57 PolarHBondContact O-N 3.41Å; V57-Y59 VanDerWaalsContact C-N 3.33Å; V57-Y59 PolarHBondContact O-N 2.95Å; V57-M60 PolarHBondContact O-N 3.05Å; V57-K61 PolarHBondContact O-N 2.98Å; V57-L87 HydrophobicContact CG2-CD1 4.18Å; V57-L90 HydrophobicContact CB-CD2 4.18Å; V57-L90 HydrophobicContact CG2-CD2 3.9Å; V57-Y94 HydrophobicContact CG1-CD2 4.49Å; V57-Y94 HydrophobicContact CG1-CE2 3.75Å; V57-C103 HydrophobicContact CG1-CB 4.24Å; V57-L105 HydrophobicContact CG1-CD1 4.01Å; V57-L105 HydrophobicContact CG2-CD1 4.35Å; V57-I205 HydrophobicContact CG2-CD1 3.88Å
58A92.6Very high89.8Confident4 Ų429.7 Ų29.73%0.03317%0.173CC..Hα-helixtrans-61.9-41.9175.700000111.8L8 V10 S54 L55 I56 K61 A62L8-A58 HydrophobicContact CD1-CB 4.49Å; L8-A58 HydrophobicContact CD2-CB 4.15Å; L8-A58 HydrophobicContact CG-CB 4.26Å; V10-A58 HydrophobicContact CB-CB 4.25Å; V10-A58 HydrophobicContact CG1-CB 4.34Å; V10-A58 HydrophobicContact CG2-CB 3.86Å; S54-A58 WeakPolarHBondContact O-CB 3.47Å; S54-A58 PolarHBondContact O-N 3.3Å; S54-A58 VanDerWaalsContact O-N 3.16Å; L55-A58 PolarHBondContact O-N 3.43Å; I56-A58 VanDerWaalsContact C-N 3.31Å; I56-A58 PolarHBondContact O-N 2.96Å; A58-K61 PolarHBondContact O-N 3.4Å; A58-A62 VanDerWaalsContact O-CB 3.3Å; A58-A62 WeakPolarHBondContact O-CB 3.42Å; A58-A62 PolarHBondContact O-N 3.12Å
59Y92.3Very high90Very high4 Ų429.2 Ų29.22%0.01617%0.171CC..Hα-helixtrans-64.2-45178.9-160.7-82.6000111.7L8 I32 D33 L55 I56 V57 A62 R63 I66 V67L8-Y59 HydrophobicContact CD2-CD2 3.97Å; I32-Y59 HydrophobicContact CG2-CD1 4.19Å; I32-Y59 HydrophobicContact CG2-CD2 4.42Å; I32-Y59 HydrophobicContact CG2-CE1 3.72Å; I32-Y59 HydrophobicContact CG2-CE2 3.97Å; D33-Y59 VanDerWaalsContact OD1-CE2 3.25Å; D33-Y59 WeakPolarHBondContact OD1-CE2 3.49Å; D33-Y59 PolarHBondContact OD1-OH 2.94Å; L55-Y59 WeakPolarHBondContact O-CB 3.35Å; L55-Y59 PolarHBondContact O-N 2.87Å; I56-Y59 WeakPolarHBondContact O-CB 3.33Å; I56-Y59 PolarHBondContact O-N 3.47Å; I56-Y59 VanDerWaalsContact O-N 3.15Å; V57-Y59 VanDerWaalsContact C-N 3.33Å; V57-Y59 PolarHBondContact O-N 2.95Å; Y59-A62 PolarHBondContact O-N 2.84Å; Y59-R63 HydrophobicContact CE1-CB 4.42Å; Y59-R63 PolarHBondContact O-N 3.48Å; Y59-R63 PolarHBondContact OH-NH1 3.18Å; Y59-I66 HydrophobicContact CE1-CB 4.28Å; Y59-I66 HydrophobicContact CE1-CG2 4.09Å; Y59-V67 HydrophobicContact CD1-CB 4.46Å; Y59-V67 HydrophobicContact CD1-CG2 3.82Å; Y59-V67 HydrophobicContact CE1-CG2 3.78Å
60M91.6Very high90.2Very high9 Ų928.3 Ų28.34%0.04417%0.165CC..Hα-helixtrans-63.3-42.4177.4-69.4-177.27700111.9I56 V57 R63 P64 V67 F70 N204I56-M60 HydrophobicContact CG2-CG 4.24Å; I56-M60 HydrophobicContact CG2-SD 4.05Å; I56-M60 WeakPolarHBondContact O-CG 3.42Å; I56-M60 PolarHBondContact O-N 2.92Å; V57-M60 PolarHBondContact O-N 3.05Å; M60-R63 CarbonylContact O-C 3.6Å; M60-P64 WeakPolarHBondContact O-CA 3.41Å; M60-V67 HydrophobicContact CG-CB 4.29Å; M60-V67 HydrophobicContact CG-CG1 4.03Å; M60-V67 HydrophobicContact SD-CG1 4.48Å; M60-F70 HydrophobicContact SD-CB 3.84Å; M60-N204 HydrophobicContact CE-CB 3.84Å
61K89Confident90.3Very high79 Ų7927.8 Ų27.834%0.34316%0.162SC..Hα-helixtrans-68.4-39176.7-69.7-164.181.6162.40112.4V57 A58 Y94 E100 C103V57-K61 PolarHBondContact O-N 2.98Å; A58-K61 PolarHBondContact O-N 3.4Å; K61-Y94 HydrophobicContact CD-CE1 4.34Å; K61-E100 IonicContact NZ-OE2 3.74Å; K61-E100 PolarHBondContact NZ-OE2 3.25Å; K61-C103 WeakPolarHBondContact CD-O 3.43Å; K61-C103 VanDerWaalsContact CE-O 3.24Å; K61-C103 WeakPolarHBondContact CE-O 3.47Å; K61-C103 PolarHBondContact NZ-O 2.87Å
62A89.7Confident90.4Very high59 Ų5927.9 Ų27.949%0.48816%0.162SC..Hα-helixtrans-75-29.6-179.700000113.2L8 A58 Y59L8-A62 HydrophobicContact CD1-CB 3.35Å; A58-A62 VanDerWaalsContact O-CB 3.3Å; A58-A62 WeakPolarHBondContact O-CB 3.42Å; A58-A62 PolarHBondContact O-N 3.12Å; Y59-A62 PolarHBondContact O-N 2.84Å
63R87.2Confident90.5Very high95 Ų9527.8 Ų27.836%0.35816%0.162SC..  trans-138.569.1-173.6-56.9-171.8-175168.4-1.8111.8D33 Y59 M60 G65 I66D33-R63 IonicContact OD1-CZ 3.82Å; D33-R63 IonicContact OD1-NH1 3.93Å; D33-R63 PolarHBondContact OD1-NH1 3.03Å; Y59-R63 HydrophobicContact CE1-CB 4.42Å; Y59-R63 PolarHBondContact O-N 3.48Å; Y59-R63 PolarHBondContact OH-NH1 3.18Å; M60-R63 CarbonylContact O-C 3.6Å; R63-G65 PolarHBondContact O-N 3.39Å; R63-I66 HydrophobicContact CB-CB 4.41Å; R63-I66 HydrophobicContact CB-CD1 4.08Å; R63-I66 HydrophobicContact CB-CG1 4.17Å; R63-I66 HydrophobicContact CG-CD1 4.38Å; R63-I66 PolarHBondContact O-N 3.48Å; R63-I66 VanDerWaalsContact O-N 3.17Å
64P80.1Confident90.3Very high102 Ų10227.7 Ų27.766%0.66216%0.161SC*.THydrogen-bonded Turntrans-63.7-14.4-171.724.1-34.6000115.4M60M60-P64 WeakPolarHBondContact O-CA 3.41Å
65G79.9Confident89.9Confident59 Ų5930 Ų3061%0.60817%0.17SC*.THydrogen-bonded Turntrans-96.6-11178.400000115.8R63R63-G65 PolarHBondContact O-N 3.39Å
66I84.6Confident89.5Confident62 Ų6231.4 Ų31.432%0.31818%0.179SC..THydrogen-bonded Turntrans-89.4-44.4-178.2-58.4-173.5000110.8Y59 R63Y59-I66 HydrophobicContact CE1-CB 4.28Å; Y59-I66 HydrophobicContact CE1-CG2 4.09Å; R63-I66 HydrophobicContact CB-CB 4.41Å; R63-I66 HydrophobicContact CB-CD1 4.08Å; R63-I66 HydrophobicContact CB-CG1 4.17Å; R63-I66 HydrophobicContact CG-CD1 4.38Å; R63-I66 PolarHBondContact O-N 3.48Å; R63-I66 VanDerWaalsContact O-N 3.17Å
67V87Confident89.3Confident7 Ų733.6 Ų33.64%0.04219%0.192CC..  trans-120.9101.4179.1-179.50000107.4I32 Y59 M60 V231I32-V67 HydrophobicContact CG2-CG2 4.29Å; Y59-V67 HydrophobicContact CD1-CB 4.46Å; Y59-V67 HydrophobicContact CD1-CG2 3.82Å; Y59-V67 HydrophobicContact CE1-CG2 3.78Å; M60-V67 HydrophobicContact CG-CB 4.29Å; M60-V67 HydrophobicContact CG-CG1 4.03Å; M60-V67 HydrophobicContact SD-CG1 4.48Å; V67-V231 HydrophobicContact CB-CG2 4.35Å; V67-V231 HydrophobicContact CG1-CB 4.25Å; V67-V231 HydrophobicContact CG1-CG2 3.72Å; V67-V231 HydrophobicContact CG2-CG2 3.65Å
68E87.9Confident89Confident86 Ų8636.9 Ų36.940%0.40221%0.214SC..SBendtrans-76.6-33.9179.3-71170.5-153.100111P227 N229E68-P227 HydrophobicContact CB-CB 4.47Å; E68-P227 HydrophobicContact CB-CG 4.06Å; E68-P227 WeakPolarHBondContact OE2-CB 3.48Å; E68-N229 HydrophobicContact CG-CB 4.25Å; E68-N229 PolarHBondContact N-O 3.37Å; E68-N229 PolarHBondContact OE1-ND2 2.96Å
69K92.2Very high88.7Confident8 Ų838 Ų384%0.03522%0.218CC..EExtended strand (participates in β ladder)trans-145.9142.1-173.5-165.4169.3-61.9-165.90112.4I71 I200 S201 A203 N204 V206 L226 P227 S230 V231K69-I71 HydrophobicContact CG-CG1 4.45Å; K69-I200 PolarHBondContact NZ-O 3.44Å; K69-S201 PolarHBondContact NZ-O 3.19Å; K69-A203 WeakPolarHBondContact CE-O 3.28Å; K69-N204 CarbonylContact C-O 3.6Å; K69-N204 WeakPolarHBondContact CA-O 3.32Å; K69-V206 HydrophobicContact CD-CG2 4.24Å; K69-L226 HydrophobicContact CD-CD2 3.68Å; K69-P227 HydrophobicContact CB-CG 3.99Å; K69-S230 WeakPolarHBondContact O-CA 3.35Å; K69-S230 WeakPolarHBondContact O-CB 3.31Å; K69-V231 PolarHBondContact O-N 3.09Å
70F94.6Very high88.7Confident1 Ų137.9 Ų37.90%0.00422%0.218CC..EExtended strand (participates in β ladder)trans-112.1127.1174.2178-121.8000110.6L52 L53 I56 M60 Y72 N204 I205 V206 V231 V233L52-F70 HydrophobicContact CD2-CE1 4.09Å; L52-F70 HydrophobicContact CD2-CE2 4.07Å; L52-F70 HydrophobicContact CD2-CZ 3.35Å; L53-F70 HydrophobicContact CD2-CE1 3.77Å; I56-F70 HydrophobicContact CB-CD2 4.43Å; I56-F70 HydrophobicContact CB-CG 4.48Å; I56-F70 HydrophobicContact CD1-CD2 4.39Å; I56-F70 HydrophobicContact CD1-CE2 4.28Å; I56-F70 HydrophobicContact CG1-CD2 4.18Å; I56-F70 HydrophobicContact CG1-CE2 3.93Å; I56-F70 HydrophobicContact CG1-CZ 4.24Å; I56-F70 HydrophobicContact CG2-CB 3.79Å; I56-F70 HydrophobicContact CG2-CD1 3.94Å; I56-F70 HydrophobicContact CG2-CD2 3.61Å; I56-F70 HydrophobicContact CG2-CE1 4.49Å; I56-F70 HydrophobicContact CG2-CE2 4.18Å; I56-F70 HydrophobicContact CG2-CG 3.49Å; I56-F70 VanDerWaalsContact CG2-CG 3.49Å; M60-F70 HydrophobicContact SD-CB 3.84Å; F70-Y72 AromaticContact CE1-CD2 3.97Å; F70-Y72 HydrophobicContact CE1-CD2 3.97Å; F70-Y72 HydrophobicContact CE1-CG 4.49Å; F70-Y72 AromaticContact CZ-CD2 3.8Å; F70-Y72 HydrophobicContact CZ-CD2 3.8Å; F70-Y72 HydrophobicContact CZ-CG 4.49Å; F70-N204 PolarHBondContact N-O 3.18Å; F70-I205 HydrophobicContact CB-CG1 4.24Å; F70-I205 HydrophobicContact CD1-CG1 4.26Å; F70-I205 HydrophobicContact CD1-CG2 3.88Å; F70-I205 WeakPolarHBondContact O-CA 3.3Å; F70-V206 PolarHBondContact O-N 3.05Å; F70-V231 HydrophobicContact CD2-CB 4.23Å; F70-V231 HydrophobicContact CD2-CG1 4.26Å; F70-V231 WeakPolarHBondContact CD2-O 3.13Å; F70-V231 HydrophobicContact CE2-CG1 4.37Å; F70-V233 HydrophobicContact CE2-CB 4.1Å; F70-V233 HydrophobicContact CE2-CG2 3.53Å; F70-V233 HydrophobicContact CZ-CB 4.13Å; F70-V233 HydrophobicContact CZ-CG2 3.87Å
71I94.5Very high88.7Confident0 Ų041.4 Ų41.40%023%0.234CC..EExtended strand (participates in β ladder)trans-118.3112.6-176.2-60.6161.6000108.1K69 V206 Y208 L226 V231 V232 V233 F452K69-I71 HydrophobicContact CG-CG1 4.45Å; I71-V206 CarbonylContact C-O 3.46Å; I71-V206 WeakPolarHBondContact CA-O 3.48Å; I71-Y208 HydrophobicContact CG2-CE1 4.11Å; I71-Y208 HydrophobicContact CG2-CE2 3.99Å; I71-Y208 WeakPolarHBondContact CG2-OH 3.43Å; I71-L226 HydrophobicContact CD1-CD1 3.67Å; I71-L226 HydrophobicContact CG1-CD1 4.44Å; I71-V231 PolarHBondContact N-O 2.78Å; I71-V232 HydrophobicContact CB-CG2 4.17Å; I71-V232 HydrophobicContact CD1-CG2 3.93Å; I71-V232 HydrophobicContact CG2-CG1 4.47Å; I71-V232 HydrophobicContact CG2-CG2 4.5Å; I71-V232 CarbonylContact O-C 3.59Å; I71-V232 WeakPolarHBondContact O-CA 3.26Å; I71-V233 PolarHBondContact O-N 3.21Å; I71-F452 HydrophobicContact CD1-CE1 3.84Å; I71-F452 HydrophobicContact CD1-CZ 4.08Å
72Y95.7Very high88.8Confident1 Ų142.2 Ų42.20%0.00424%0.238CC..EExtended strand (participates in β ladder)trans-102.1119.1176.3-164.7-77.4000110T49 L52 L53 F70 V83 V206 V207 Y208 V233 D235T49-Y72 HydrophobicContact CG2-CE2 4.28Å; T49-Y72 PolarHBondContact OG1-OH 2.92Å; L52-Y72 HydrophobicContact CD2-CD2 4.27Å; L52-Y72 HydrophobicContact CD2-CE2 4.24Å; L53-Y72 HydrophobicContact CD2-CD2 4.46Å; F70-Y72 AromaticContact CE1-CD2 3.97Å; F70-Y72 HydrophobicContact CE1-CD2 3.97Å; F70-Y72 HydrophobicContact CE1-CG 4.49Å; F70-Y72 AromaticContact CZ-CD2 3.8Å; F70-Y72 HydrophobicContact CZ-CD2 3.8Å; F70-Y72 HydrophobicContact CZ-CG 4.49Å; Y72-V83 HydrophobicContact CD1-CG1 4Å; Y72-V83 HydrophobicContact CD1-CG2 4.03Å; Y72-V83 HydrophobicContact CD2-CG1 4.26Å; Y72-V83 HydrophobicContact CE1-CB 4.34Å; Y72-V83 HydrophobicContact CE1-CG1 4.07Å; Y72-V83 HydrophobicContact CE1-CG2 3.39Å; Y72-V83 HydrophobicContact CE2-CG1 4.34Å; Y72-V83 HydrophobicContact CG-CG1 4.09Å; Y72-V206 PolarHBondContact N-O 3.14Å; Y72-V207 HydrophobicContact CD1-CG1 4.19Å; Y72-V207 WeakPolarHBondContact O-CA 3.5Å; Y72-Y208 PolarHBondContact O-N 3.07Å; Y72-V233 HydrophobicContact CD2-CB 4.45Å; Y72-V233 HydrophobicContact CD2-CG1 4.2Å; Y72-V233 HydrophobicContact CE2-CG1 4.14Å; Y72-D235 HydrophobicContact CE1-CB 3.8Å; Y72-D235 HydrophobicContact CE2-CB 4.34Å; Y72-D235 WeakPolarHBondContact OH-CB 3.29Å; Y72-D235 PolarHBondContact OH-OD2 3.01Å
73C94.4Very high88.9Confident0 Ų039.6 Ų39.60%022%0.215CC..EExtended strand (participates in β ladder)trans-108.9124.4178.9-57.30000109Y208 Y210 V233 F234 D235C73-Y208 VanDerWaalsContact CA-O 3.3Å; C73-Y208 WeakPolarHBondContact CA-O 3.35Å; C73-Y208 VanDerWaalsContact SG-CE2 3.54Å; C73-Y210 HydrophobicContact CB-CD1 3.77Å; C73-Y210 HydrophobicContact CB-CE1 4.11Å; C73-Y210 WeakPolarHBondContact O-CE1 2.84Å; C73-V233 WeakPolarHBondContact CA-O 3.35Å; C73-V233 WeakPolarHBondContact CB-O 3.42Å; C73-V233 PolarHBondContact N-O 2.91Å; C73-F234 HydrophobicContact CB-CD1 3.62Å; C73-F234 HydrophobicContact CB-CE1 3.93Å; C73-F234 HydrophobicContact CB-CG 4.41Å; C73-D235 PolarHBondContact O-N 3.35Å
74S91.3Very high89.3Confident0 Ų035 Ų350%020%0.198CC..EExtended strand (participates in β ladder)trans-125.6172.6171.7-162.80000111.1E79 Y208 S209 Y210S74-E79 WeakPolarHBondContact OG-CB 3.37Å; S74-E79 PolarHBondContact OG-OE2 3.26Å; S74-Y208 PolarHBondContact N-O 2.92Å; S74-Y208 VanDerWaalsContact N-O 3.1Å; S74-S209 CarbonylContact O-C 3.58Å; S74-S209 VanDerWaalsContact O-CA 3.23Å; S74-S209 WeakPolarHBondContact O-CA 3.26Å; S74-Y210 VanDerWaalsContact O-CD1 3.23Å; S74-Y210 WeakPolarHBondContact O-CD1 3.41Å; S74-Y210 PolarHBondContact O-N 3.27Å; S74-Y210 VanDerWaalsContact O-N 3.1Å
75R84.7Confident89.9Confident48 Ų4834.1 Ų34.118%0.18119%0.185CC..SBendtrans-85.5-50.1-173.1-168.8173.8-173.5-166.8-6.1111.6E79 S209 Y210 N239 E607R75-E79 PolarHBondContact N-OE2 3.23Å; R75-S209 PolarHBondContact O-OG 3Å; R75-Y210 HydrophobicContact CB-CE2 4.2Å; R75-Y210 HydrophobicContact CG-CE2 4.44Å; R75-N239 PolarHBondContact NH1-ND2 3.1Å; R75-E607 IonicContact CZ-OE1 3.99Å; R75-E607 IonicContact CZ-OE2 2.81Å; R75-E607 VanDerWaalsContact CZ-OE2 3.26Å; R75-E607 IonicContact NH1-OE1 3.36Å; R75-E607 PolarHBondContact NH1-OE1 3.24Å; R75-E607 IonicContact NH1-OE2 2.85Å; R75-E607 PolarHBondContact NH1-OE2 2.79Å; R75-E607 IonicContact NH2-OE1 3.55Å; R75-E607 PolarHBondContact NH2-OE1 3.48Å; R75-E607 IonicContact NH2-OE2 3.13Å; R75-E607 PolarHBondContact NH2-OE2 2.91Å
76T85.2Confident90.4Very high31 Ų3134.1 Ų34.119%0.1917%0.169CC..SBendtrans-113.7156.6-169.969.90000112.9E79 L80T76-E79 WeakPolarHBondContact CB-OE2 3.21Å; T76-E79 PolarHBondContact N-OE2 2.72Å; T76-E79 PolarHBondContact O-N 3.35Å; T76-E79 VanDerWaalsContact OG1-CG 3.25Å; T76-E79 WeakPolarHBondContact OG1-CG 3.24Å; T76-E79 PolarHBondContact OG1-OE2 3.03Å; T76-L80 WeakPolarHBondContact O-CG 3.26Å; T76-L80 PolarHBondContact O-N 3.23Å
77V87.7Confident90.9Very high49 Ų4931.2 Ų31.230%0.29716%0.155SC..Hα-helixtrans-62.2-42.6-179.5179.70000113.2E79 L80 E81 M178V77-E79 VanDerWaalsContact C-N 3.29Å; V77-E79 PolarHBondContact O-N 3.11Å; V77-L80 WeakPolarHBondContact O-CB 3.48Å; V77-L80 PolarHBondContact O-N 3.42Å; V77-L80 VanDerWaalsContact O-N 3.13Å; V77-E81 PolarHBondContact O-N 3.29Å; V77-E81 VanDerWaalsContact O-N 3.14Å; V77-M178 HydrophobicContact CG1-CE 3.47Å; V77-M178 VanDerWaalsContact CG1-CE 3.47Å; V77-M178 HydrophobicContact CG1-SD 4.2Å
78P86.5Confident91.2Very high71 Ų7132.6 Ų32.646%0.46116%0.16SC..Hα-helixtrans-60.5-35.4176.1-25.436.2000113.5E81 K82P78-E81 PolarHBondContact O-N 3.32Å; P78-K82 WeakPolarHBondContact O-CG 3.42Å; P78-K82 PolarHBondContact O-N 2.78Å
79E87.6Confident91.4Very high27 Ų2731.5 Ų31.513%0.12616%0.159CC..Hα-helixtrans-64.7-40.3175-68.4161.7158.400111.2S74 R75 T76 V77 E81 K82 V83S74-E79 WeakPolarHBondContact OG-CB 3.37Å; S74-E79 PolarHBondContact OG-OE2 3.26Å; R75-E79 PolarHBondContact N-OE2 3.23Å; T76-E79 WeakPolarHBondContact CB-OE2 3.21Å; T76-E79 PolarHBondContact N-OE2 2.72Å; T76-E79 PolarHBondContact O-N 3.35Å; T76-E79 VanDerWaalsContact OG1-CG 3.25Å; T76-E79 WeakPolarHBondContact OG1-CG 3.24Å; T76-E79 PolarHBondContact OG1-OE2 3.03Å; V77-E79 VanDerWaalsContact C-N 3.29Å; V77-E79 PolarHBondContact O-N 3.11Å; E79-E81 VanDerWaalsContact C-N 3.32Å; E79-E81 PolarHBondContact O-N 2.74Å; E79-K82 PolarHBondContact O-N 3Å; E79-V83 WeakPolarHBondContact O-CG2 3.45Å; E79-V83 PolarHBondContact O-N 3.45Å
80L91.5Very high91.4Very high1 Ų131.3 Ų31.31%0.00516%0.158CC..Hα-helixtrans-60.3-41.5174.6-55.8175.7000111.8T76 V77 V83 I84 V109 V207 Y208T76-L80 WeakPolarHBondContact O-CG 3.26Å; T76-L80 PolarHBondContact O-N 3.23Å; V77-L80 WeakPolarHBondContact O-CB 3.48Å; V77-L80 PolarHBondContact O-N 3.42Å; V77-L80 VanDerWaalsContact O-N 3.13Å; L80-V83 PolarHBondContact O-N 3.44Å; L80-I84 WeakPolarHBondContact O-CG1 3.34Å; L80-I84 PolarHBondContact O-N 2.92Å; L80-V109 HydrophobicContact CB-CG2 3.96Å; L80-V109 HydrophobicContact CD1-CG2 4.47Å; L80-V207 HydrophobicContact CB-CG1 4.13Å; L80-V207 HydrophobicContact CD2-CG1 3.66Å; L80-V207 HydrophobicContact CG-CG1 4.48Å; L80-Y208 VanDerWaalsContact CD2-C 3.42Å; L80-Y208 VanDerWaalsContact CD2-O 3.27Å; L80-Y208 WeakPolarHBondContact CD2-O 3.34Å
81E91.7Very high91.3Very high83 Ų8332.7 Ų32.739%0.38817%0.166SC..Hα-helixtrans-64.2-44.6176.2-67.9-175.1157.700111.5V77 P78 E79 V83 I84 E85 M178V77-E81 PolarHBondContact O-N 3.29Å; V77-E81 VanDerWaalsContact O-N 3.14Å; P78-E81 PolarHBondContact O-N 3.32Å; E79-E81 VanDerWaalsContact C-N 3.32Å; E79-E81 PolarHBondContact O-N 2.74Å; E81-V83 VanDerWaalsContact C-N 3.33Å; E81-V83 PolarHBondContact O-N 3.1Å; E81-I84 PolarHBondContact O-N 2.74Å; E81-E85 WeakPolarHBondContact O-CG 2.95Å; E81-E85 PolarHBondContact O-N 3.1Å; E81-M178 HydrophobicContact CG-CE 3.23Å; E81-M178 WeakPolarHBondContact OE1-CE 3.41Å
82K90.2Very high91.1Very high96 Ų9639.7 Ų39.742%0.41720%0.196SC..Hα-helixtrans-57.6-44.8177.2-72.3-179.7-175.1-167.60111.8P78 E79 I84 E85 E86 D610P78-K82 WeakPolarHBondContact O-CG 3.42Å; P78-K82 PolarHBondContact O-N 2.78Å; E79-K82 PolarHBondContact O-N 3Å; K82-I84 VanDerWaalsContact C-N 3.33Å; K82-I84 PolarHBondContact O-N 3.16Å; K82-E85 PolarHBondContact O-N 3.41Å; K82-E86 WeakPolarHBondContact O-CG 3.29Å; K82-E86 PolarHBondContact O-N 3.22Å; K82-D610 IonicContact NZ-OD2 3.62Å; K82-D610 PolarHBondContact NZ-OD2 2.87Å
83V93.2Very high90.9Very high4 Ų441.5 Ų41.52%0.02420%0.203CC..Hα-helixtrans-60.5-42.3178.6174.80000111.4T49 L53 Y72 E79 L80 E81 E86 L87 V207T49-V83 HydrophobicContact CG2-CB 4.22Å; T49-V83 HydrophobicContact CG2-CG1 4.12Å; T49-V83 HydrophobicContact CG2-CG2 3.77Å; L53-V83 HydrophobicContact CD1-CG1 4.23Å; Y72-V83 HydrophobicContact CD1-CG1 4Å; Y72-V83 HydrophobicContact CD1-CG2 4.03Å; Y72-V83 HydrophobicContact CD2-CG1 4.26Å; Y72-V83 HydrophobicContact CE1-CB 4.34Å; Y72-V83 HydrophobicContact CE1-CG1 4.07Å; Y72-V83 HydrophobicContact CE1-CG2 3.39Å; Y72-V83 HydrophobicContact CE2-CG1 4.34Å; Y72-V83 HydrophobicContact CG-CG1 4.09Å; E79-V83 WeakPolarHBondContact O-CG2 3.45Å; E79-V83 PolarHBondContact O-N 3.45Å; L80-V83 PolarHBondContact O-N 3.44Å; E81-V83 VanDerWaalsContact C-N 3.33Å; E81-V83 PolarHBondContact O-N 3.1Å; V83-E86 PolarHBondContact O-N 3.25Å; V83-L87 WeakPolarHBondContact O-CB 3.27Å; V83-L87 PolarHBondContact O-N 3.02Å; V83-V207 HydrophobicContact CB-CG1 4.24Å; V83-V207 HydrophobicContact CG1-CG1 4.07Å; V83-V207 HydrophobicContact CG1-CG2 4.07Å
84I93.8Very high90.7Very high0 Ų041.7 Ų41.70%020%0.204CC..Hα-helixtrans-68.2-40.2178.2-68-67.5000111.8L80 E81 K82 L87 K88 V109 I175 N177 V207L80-I84 WeakPolarHBondContact O-CG1 3.34Å; L80-I84 PolarHBondContact O-N 2.92Å; E81-I84 PolarHBondContact O-N 2.74Å; K82-I84 VanDerWaalsContact C-N 3.33Å; K82-I84 PolarHBondContact O-N 3.16Å; I84-L87 WeakPolarHBondContact O-CB 3.31Å; I84-L87 PolarHBondContact O-N 3.47Å; I84-K88 WeakPolarHBondContact O-CG 3.26Å; I84-K88 PolarHBondContact O-N 3.44Å; I84-V109 HydrophobicContact CD1-CB 4.04Å; I84-V109 HydrophobicContact CG1-CB 3.79Å; I84-V109 HydrophobicContact CG1-CG1 4.17Å; I84-V109 HydrophobicContact CG1-CG2 4.48Å; I84-I175 HydrophobicContact CD1-CG2 4.47Å; I84-I175 HydrophobicContact CG2-CG2 3.71Å; I84-N177 HydrophobicContact CG2-CB 3.69Å; I84-V207 HydrophobicContact CD1-CB 4.05Å; I84-V207 HydrophobicContact CD1-CG2 3.63Å; I84-V207 HydrophobicContact CG1-CB 4.43Å; I84-V207 HydrophobicContact CG1-CG2 4.36Å
85E92.7Very high90.6Very high82 Ų8243.2 Ų43.238%0.38322%0.217SC..Hα-helixtrans-65.4-39.3176.1-68-55.2136.900111.6E81 K82 L87 K88 V89 N177E81-E85 WeakPolarHBondContact O-CG 2.95Å; E81-E85 PolarHBondContact O-N 3.1Å; K82-E85 PolarHBondContact O-N 3.41Å; E85-L87 VanDerWaalsContact C-N 3.33Å; E85-L87 PolarHBondContact O-N 3.39Å; E85-K88 WeakPolarHBondContact O-CB 3.29Å; E85-K88 PolarHBondContact O-N 3.09Å; E85-K88 IonicContact OE1-NZ 2.73Å; E85-K88 PolarHBondContact OE1-NZ 3.05Å; E85-K88 IonicContact OE2-NZ 2.67Å; E85-V89 WeakPolarHBondContact O-CG2 3.18Å; E85-V89 PolarHBondContact O-N 3.21Å; E85-N177 PolarHBondContact OE1-ND2 3.48Å
86E92.3Very high90.8Very high59 Ų5945.5 Ų45.528%0.27624%0.236SC..Hα-helixtrans-62.5-40171-73.1-173.1-172.200112.2T49 V50 L53 K82 V83 K88 V89 L90T49-E86 WeakPolarHBondContact CB-OE2 3.3Å; T49-E86 WeakPolarHBondContact CG2-OE2 3.43Å; V50-E86 HydrophobicContact CG2-CG 4.16Å; V50-E86 WeakPolarHBondContact CG2-OE2 3.27Å; V50-E86 PolarHBondContact N-OE2 2.82Å; L53-E86 HydrophobicContact CD1-CB 4.25Å; K82-E86 WeakPolarHBondContact O-CG 3.29Å; K82-E86 PolarHBondContact O-N 3.22Å; V83-E86 PolarHBondContact O-N 3.25Å; E86-K88 VanDerWaalsContact C-N 3.33Å; E86-K88 PolarHBondContact O-N 3.25Å; E86-V89 WeakPolarHBondContact O-CB 3.42Å; E86-V89 PolarHBondContact O-N 3.45Å; E86-L90 PolarHBondContact O-N 3.09Å
87L93.6Very high90.8Very high2 Ų247.5 Ų47.51%0.0124%0.243CC..Hα-helixtrans-63.9-38.3175.4-169.263000111.5L53 V57 V83 I84 E85 V89 L90 D91 I175 I205L53-L87 HydrophobicContact CD1-CB 4.14Å; L53-L87 HydrophobicContact CD1-CD1 4.3Å; L53-L87 HydrophobicContact CD2-CD1 4.33Å; V57-L87 HydrophobicContact CG2-CD1 4.18Å; V83-L87 WeakPolarHBondContact O-CB 3.27Å; V83-L87 PolarHBondContact O-N 3.02Å; I84-L87 WeakPolarHBondContact O-CB 3.31Å; I84-L87 PolarHBondContact O-N 3.47Å; E85-L87 VanDerWaalsContact C-N 3.33Å; E85-L87 PolarHBondContact O-N 3.39Å; L87-V89 VanDerWaalsContact C-N 3.35Å; L87-L90 HydrophobicContact CD1-CD2 4.29Å; L87-L90 WeakPolarHBondContact O-CB 3.3Å; L87-L90 PolarHBondContact O-N 2.93Å; L87-D91 WeakPolarHBondContact O-CB 3.36Å; L87-D91 PolarHBondContact O-N 2.94Å; L87-I175 HydrophobicContact CB-CD1 4.28Å; L87-I175 HydrophobicContact CB-CG2 4.38Å; L87-I175 HydrophobicContact CD2-CD1 4.14Å; L87-I175 HydrophobicContact CD2-CG1 3.98Å; L87-I175 HydrophobicContact CD2-CG2 4.08Å; L87-I175 HydrophobicContact CG-CD1 3.62Å; L87-I175 HydrophobicContact CG-CG1 4.02Å; L87-I175 HydrophobicContact CG-CG2 4.33Å; L87-I175 VanDerWaalsContact O-CD1 3.26Å; L87-I175 WeakPolarHBondContact O-CD1 3.48Å; L87-I205 HydrophobicContact CD1-CD1 3.94Å; L87-I205 HydrophobicContact CD2-CB 4.39Å; L87-I205 HydrophobicContact CD2-CD1 3.97Å; L87-I205 HydrophobicContact CD2-CG2 3.9Å
88K93.4Very high90.6Very high35 Ų3547.1 Ų47.115%0.15224%0.241CC..Hα-helixtrans-64.1-38.4173.7-74.2176179.9174.20112.3I84 E85 E86 L90 D91 K92 I175 D180I84-K88 WeakPolarHBondContact O-CG 3.26Å; I84-K88 PolarHBondContact O-N 3.44Å; E85-K88 WeakPolarHBondContact O-CB 3.29Å; E85-K88 PolarHBondContact O-N 3.09Å; E85-K88 IonicContact OE1-NZ 2.73Å; E85-K88 PolarHBondContact OE1-NZ 3.05Å; E85-K88 IonicContact OE2-NZ 2.67Å; E86-K88 VanDerWaalsContact C-N 3.33Å; E86-K88 PolarHBondContact O-N 3.25Å; K88-L90 VanDerWaalsContact C-N 3.31Å; K88-D91 PolarHBondContact O-N 3.45Å; K88-K92 WeakPolarHBondContact O-CG 3.29Å; K88-K92 PolarHBondContact O-N 3.43Å; K88-I175 HydrophobicContact CG-CB 3.97Å; K88-I175 HydrophobicContact CG-CG2 3.64Å; K88-D180 WeakPolarHBondContact CE-OD2 3.39Å; K88-D180 IonicContact NZ-OD1 3.68Å; K88-D180 IonicContact NZ-OD2 3.79Å; K88-D180 PolarHBondContact NZ-OD2 3.4Å
89V92.8Very high90.3Very high63 Ų6351 Ų5138%0.38226%0.258SS..Hα-helixtrans-62.3-43.9174.2173.40000109.9P13 E85 E86 L87 Y93P13-V89 HydrophobicContact CB-CG1 4.17Å; E85-V89 WeakPolarHBondContact O-CG2 3.18Å; E85-V89 PolarHBondContact O-N 3.21Å; E86-V89 WeakPolarHBondContact O-CB 3.42Å; E86-V89 PolarHBondContact O-N 3.45Å; L87-V89 VanDerWaalsContact C-N 3.35Å; V89-Y93 PolarHBondContact O-N 3.12Å
90L92.2Very high89.8Confident4 Ų454.9 Ų54.92%0.02128%0.276CS..Hα-helixtrans-60.9-46.3175.5-176.362.8000112Y11 P13 L53 V57 E86 L87 K88 Y93 Y94Y11-L90 WeakPolarHBondContact O-CD1 3.36Å; P13-L90 HydrophobicContact CB-CD1 4.17Å; P13-L90 HydrophobicContact CG-CD1 4.01Å; L53-L90 HydrophobicContact CB-CD2 4.23Å; V57-L90 HydrophobicContact CB-CD2 4.18Å; V57-L90 HydrophobicContact CG2-CD2 3.9Å; E86-L90 PolarHBondContact O-N 3.09Å; L87-L90 HydrophobicContact CD1-CD2 4.29Å; L87-L90 WeakPolarHBondContact O-CB 3.3Å; L87-L90 PolarHBondContact O-N 2.93Å; K88-L90 VanDerWaalsContact C-N 3.31Å; L90-Y93 WeakPolarHBondContact O-CB 3.47Å; L90-Y93 PolarHBondContact O-N 3.5Å; L90-Y93 VanDerWaalsContact O-N 3.14Å; L90-Y94 HydrophobicContact CD1-CD2 3.94Å; L90-Y94 HydrophobicContact CD1-CE2 3.67Å; L90-Y94 HydrophobicContact CD2-CE2 4.29Å; L90-Y94 HydrophobicContact CG-CD2 3.89Å; L90-Y94 HydrophobicContact CG-CE2 3.81Å; L90-Y94 WeakPolarHBondContact O-CD2 3.21Å; L90-Y94 PolarHBondContact O-N 3.47Å
91D91.4Very high88.9Confident31 Ų3164.7 Ų64.717%0.16632%0.319CS..Hα-helixtrans-63.9-41.4-179.8-178.668000113.6L87 K88 Y93 Y94 A95 G102 C103 I175L87-D91 WeakPolarHBondContact O-CB 3.36Å; L87-D91 PolarHBondContact O-N 2.94Å; K88-D91 PolarHBondContact O-N 3.45Å; D91-Y93 VanDerWaalsContact C-N 3.29Å; D91-Y93 PolarHBondContact O-N 3.37Å; D91-Y94 PolarHBondContact O-N 3.12Å; D91-A95 PolarHBondContact O-N 3.14Å; D91-G102 VanDerWaalsContact OD1-CA 3.29Å; D91-G102 WeakPolarHBondContact OD1-CA 3.27Å; D91-C103 PolarHBondContact OD1-N 3.19Å; D91-C103 PolarHBondContact OD1-SG 3.17Å; D91-I175 HydrophobicContact CB-CD1 3.21Å
92K91.5Very high88.2Confident147 Ų14760.8 Ų60.864%0.63930%0.301SS*.Hα-helixtrans-59.5-42.3171-73.2175.8-176.7177.30111.3K88 A95 T96K88-K92 WeakPolarHBondContact O-CG 3.29Å; K88-K92 PolarHBondContact O-N 3.43Å; K92-A95 WeakPolarHBondContact O-CB 3.43Å; K92-A95 PolarHBondContact O-N 3.03Å; K92-T96 WeakPolarHBondContact O-CG2 3.48Å; K92-T96 PolarHBondContact O-N 3.32Å; K92-T96 VanDerWaalsContact O-N 3.08Å; K92-T96 PolarHBondContact O-OG1 3.34Å
93Y91Very high87.7Confident38 Ų3856.5 Ų56.515%0.14928%0.283CS..Hα-helixtrans-64.4-41.4177.2-176.3-110.4000112.2M1 Y11 F12 P13 V89 L90 D91 T96 E97M1-Y93 VanDerWaalsContact N-CZ 3.34Å; M1-Y93 PolarHBondContact N-OH 3.15Å; Y11-Y93 HydrophobicContact CD1-CE1 4.41Å; F12-Y93 WeakPolarHBondContact O-CE1 3.42Å; P13-Y93 HydrophobicContact CB-CD1 4.3Å; P13-Y93 HydrophobicContact CB-CG 4.19Å; V89-Y93 PolarHBondContact O-N 3.12Å; L90-Y93 WeakPolarHBondContact O-CB 3.47Å; L90-Y93 PolarHBondContact O-N 3.5Å; L90-Y93 VanDerWaalsContact O-N 3.14Å; D91-Y93 VanDerWaalsContact C-N 3.29Å; D91-Y93 PolarHBondContact O-N 3.37Å; Y93-T96 WeakPolarHBondContact CA-OG1 3.36Å; Y93-T96 PolarHBondContact O-N 3.07Å; Y93-T96 PolarHBondContact O-OG1 3.44Å; Y93-E97 HydrophobicContact CD1-CG 4.47Å; Y93-E97 HydrophobicContact CD2-CG 4.36Å; Y93-E97 HydrophobicContact CE1-CG 3.97Å; Y93-E97 HydrophobicContact CE2-CG 3.79Å; Y93-E97 WeakPolarHBondContact O-CG 3.37Å; Y93-E97 PolarHBondContact O-N 3.36Å; Y93-E97 VanDerWaalsContact O-N 3.15Å; Y93-E97 PolarHBondContact OH-OE1 3.33Å
94Y90.2Very high87.2Confident4 Ų458.4 Ų58.42%0.01630%0.303CS..Hα-helixtrans-59.8-46.7172.2-91.4-84.8000111.6Y11 V57 K61 L90 D91 T96 E97 T98 C103Y11-Y94 HydrophobicContact CD2-CD1 4.15Å; Y11-Y94 AromaticContact CD2-CE1 3.29Å; Y11-Y94 HydrophobicContact CD2-CE1 3.29Å; Y11-Y94 AromaticContact CD2-CZ 3.66Å; Y11-Y94 AromaticContact CE2-CE1 3.97Å; Y11-Y94 HydrophobicContact CE2-CE1 3.97Å; Y11-Y94 HydrophobicContact CG-CD1 4.22Å; Y11-Y94 AromaticContact CG-CE1 3.68Å; Y11-Y94 HydrophobicContact CG-CE1 3.68Å; Y11-Y94 AromaticContact CG-CZ 3.89Å; V57-Y94 HydrophobicContact CG1-CD2 4.49Å; V57-Y94 HydrophobicContact CG1-CE2 3.75Å; K61-Y94 HydrophobicContact CD-CE1 4.34Å; L90-Y94 HydrophobicContact CD1-CD2 3.94Å; L90-Y94 HydrophobicContact CD1-CE2 3.67Å; L90-Y94 HydrophobicContact CD2-CE2 4.29Å; L90-Y94 HydrophobicContact CG-CD2 3.89Å; L90-Y94 HydrophobicContact CG-CE2 3.81Å; L90-Y94 WeakPolarHBondContact O-CD2 3.21Å; L90-Y94 PolarHBondContact O-N 3.47Å; D91-Y94 PolarHBondContact O-N 3.12Å; Y94-T96 VanDerWaalsContact C-N 3.27Å; Y94-T96 PolarHBondContact O-N 3.2Å; Y94-E97 PolarHBondContact O-N 3.48Å; Y94-E97 VanDerWaalsContact O-N 3.1Å; Y94-T98 PolarHBondContact O-N 3.2Å; Y94-T98 PolarHBondContact O-OG1 3.5Å; Y94-C103 HydrophobicContact CD2-CB 4.36Å; Y94-C103 HydrophobicContact CG-CB 4.23Å
95A88.6Confident87Confident32 Ų3259.3 Ų59.326%0.26431%0.308SS..Hα-helixtrans-56.3-41.8178.400000112.3D91 K92 N99 E100D91-A95 PolarHBondContact O-N 3.14Å; K92-A95 WeakPolarHBondContact O-CB 3.43Å; K92-A95 PolarHBondContact O-N 3.03Å; A95-N99 WeakPolarHBondContact O-CA 3.35Å; A95-N99 PolarHBondContact O-N 3.14Å; A95-N99 VanDerWaalsContact O-N 3.13Å; A95-E100 WeakPolarHBondContact CA-O 3.4Å
96T89.4Confident87Confident97 Ų9755.7 Ų55.760%0.59529%0.291SS*.Hα-helixtrans-69.3-30.9178.752.10000113.7K92 Y93 Y94K92-T96 WeakPolarHBondContact O-CG2 3.48Å; K92-T96 PolarHBondContact O-N 3.32Å; K92-T96 VanDerWaalsContact O-N 3.08Å; K92-T96 PolarHBondContact O-OG1 3.34Å; Y93-T96 WeakPolarHBondContact CA-OG1 3.36Å; Y93-T96 PolarHBondContact O-N 3.07Å; Y93-T96 PolarHBondContact O-OG1 3.44Å; Y94-T96 VanDerWaalsContact C-N 3.27Å; Y94-T96 PolarHBondContact O-N 3.2Å
97E86Confident87.1Confident72 Ų7252.9 Ų52.934%0.33628%0.278SS..Hα-helixtrans-91.8-30.5-174.4-73.6-75.8170.500113.5K2 Y11 Y93 Y94K2-E97 WeakPolarHBondContact CE-OE2 3.13Å; K2-E97 IonicContact NZ-OE2 3.54Å; K2-E97 PolarHBondContact NZ-OE2 2.95Å; Y11-E97 HydrophobicContact CD1-CB 4.09Å; Y11-E97 HydrophobicContact CD1-CG 4.32Å; Y11-E97 HydrophobicContact CE1-CB 4.01Å; Y93-E97 HydrophobicContact CD1-CG 4.47Å; Y93-E97 HydrophobicContact CD2-CG 4.36Å; Y93-E97 HydrophobicContact CE1-CG 3.97Å; Y93-E97 HydrophobicContact CE2-CG 3.79Å; Y93-E97 WeakPolarHBondContact O-CG 3.37Å; Y93-E97 PolarHBondContact O-N 3.36Å; Y93-E97 VanDerWaalsContact O-N 3.15Å; Y93-E97 PolarHBondContact OH-OE1 3.33Å; Y94-E97 PolarHBondContact O-N 3.48Å; Y94-E97 VanDerWaalsContact O-N 3.1Å
98T83.7Confident87.1Confident41 Ų4152.8 Ų52.825%0.25228%0.278SS..Hα-helixtrans-101.5-9-179.363.30000113.4Y94 E100Y94-T98 PolarHBondContact O-N 3.2Å; Y94-T98 PolarHBondContact O-OG1 3.5Å; T98-E100 PolarHBondContact O-N 3.3Å; T98-E100 VanDerWaalsContact O-N 3.16Å; T98-E100 WeakPolarHBondContact OG1-CB 3.29Å; T98-E100 PolarHBondContact OG1-N 2.99Å
99N78.6Confident87.2Confident153 Ų15351.1 Ų51.182%0.81827%0.271SS*.  trans55.218.9-168.6-69.1-33000113.7A95A95-N99 WeakPolarHBondContact O-CA 3.35Å; A95-N99 PolarHBondContact O-N 3.14Å; A95-N99 VanDerWaalsContact O-N 3.13Å
100E77.3Confident87.1Confident108 Ų10848.1 Ų48.151%0.50525%0.253SS..SBendtrans-91.7168.6174.5-62177.9156.300110.6K61 A95 T98 G102K61-E100 IonicContact NZ-OE2 3.74Å; K61-E100 PolarHBondContact NZ-OE2 3.25Å; A95-E100 WeakPolarHBondContact CA-O 3.4Å; T98-E100 PolarHBondContact O-N 3.3Å; T98-E100 VanDerWaalsContact O-N 3.16Å; T98-E100 WeakPolarHBondContact OG1-CB 3.29Å; T98-E100 PolarHBondContact OG1-N 2.99Å; E100-G102 PolarHBondContact O-N 2.73Å
101K73.5Confident87.1Confident207 Ų20748.2 Ų48.290%0.925%0.253SS*.SBendtrans-74.260.7172.7-65.3-177.4-179.8177.80111.1
102G77.6Confident86.9Confident2 Ų248.8 Ų48.82%0.02126%0.26CS..THydrogen-bonded Turntrans83.7-159.6-178.800000114D91 E100 G104D91-G102 VanDerWaalsContact OD1-CA 3.29Å; D91-G102 WeakPolarHBondContact OD1-CA 3.27Å; E100-G102 PolarHBondContact O-N 2.73Å; G102-G104 PolarHBondContact O-N 3.5Å
103C78.3Confident86.8Confident5 Ų542.8 Ų42.83%0.03423%0.233CC..THydrogen-bonded Turntrans-70-16.7179.664.80000113.1V57 K61 D91 Y94 L105V57-C103 HydrophobicContact CG1-CB 4.24Å; K61-C103 WeakPolarHBondContact CD-O 3.43Å; K61-C103 VanDerWaalsContact CE-O 3.24Å; K61-C103 WeakPolarHBondContact CE-O 3.47Å; K61-C103 PolarHBondContact NZ-O 2.87Å; D91-C103 PolarHBondContact OD1-N 3.19Å; D91-C103 PolarHBondContact OD1-SG 3.17Å; Y94-C103 HydrophobicContact CD2-CB 4.36Å; Y94-C103 HydrophobicContact CG-CB 4.23Å; C103-L105 VanDerWaalsContact C-N 3.29Å
104G83.7Confident86.8Confident44 Ų4446.1 Ų46.145%0.45425%0.248SC..SBendtrans78.59.8-176.800000114.1G102G102-G104 PolarHBondContact O-N 3.5Å
105L89.2Confident86.8Confident19 Ų1948.1 Ų48.110%0.09926%0.259CS..  trans-105150.8-179.9-57174.8000110.8V57 C103 G174 N204 I205V57-L105 HydrophobicContact CG1-CD1 4.01Å; V57-L105 HydrophobicContact CG2-CD1 4.35Å; C103-L105 VanDerWaalsContact C-N 3.29Å; L105-G174 PolarHBondContact O-N 3.11Å; L105-N204 HydrophobicContact CB-CB 4.13Å; L105-N204 HydrophobicContact CD2-CB 4.04Å; L105-I205 HydrophobicContact CD1-CD1 4.29Å
106L93.2Very high87Confident6 Ų646.6 Ų46.63%0.03125%0.247CC..EExtended strand (participates in β ladder)trans-94116.1171.2177.362000110.2I108 L171 G174 Y176 Y202 A203 N204 I205L106-I108 HydrophobicContact CD1-CG2 4.01Å; L106-I108 HydrophobicContact CG-CG2 4.08Å; L106-L171 HydrophobicContact CD1-CB 4.34Å; L106-L171 HydrophobicContact CD2-CB 4.37Å; L106-G174 WeakPolarHBondContact CA-O 3.36Å; L106-G174 WeakPolarHBondContact CD1-O 3.47Å; L106-Y176 HydrophobicContact CD1-CD2 3.75Å; L106-Y176 HydrophobicContact CD1-CE2 3.53Å; L106-Y202 HydrophobicContact CD2-CD2 3.51Å; L106-Y202 HydrophobicContact CD2-CE2 3.3Å; L106-A203 HydrophobicContact CB-CB 4.49Å; L106-A203 HydrophobicContact CD2-CB 3.96Å; L106-A203 HydrophobicContact CG-CB 3.98Å; L106-N204 PolarHBondContact N-OD1 3.38Å; L106-N204 VanDerWaalsContact N-OD1 3.11Å; L106-N204 PolarHBondContact O-N 2.67Å; L106-I205 PolarHBondContact O-N 2.82Å
107G94.1Very high87.1Confident0 Ų043 Ų430%023%0.225CC..EExtended strand (participates in β ladder)trans-109.6125.4174.400000111.7G174 I175 Y176 I205G107-G174 PolarHBondContact N-O 3.41Å; G107-I175 WeakPolarHBondContact O-CA 3.24Å; G107-Y176 PolarHBondContact O-N 3.06Å; G107-I205 WeakPolarHBondContact CA-O 3.26Å
108I94.1Very high87.4Confident0 Ų041.2 Ų41.20%022%0.218CC..EExtended strand (participates in β ladder)trans-131.2149.7-178.762.6170.9000112.1L106 T196 A199 I200 A203 I205 V206 V207L106-I108 HydrophobicContact CD1-CG2 4.01Å; L106-I108 HydrophobicContact CG-CG2 4.08Å; I108-T196 HydrophobicContact CD1-CG2 4.36Å; I108-A199 HydrophobicContact CD1-CB 4.05Å; I108-A199 HydrophobicContact CG2-CB 4.48Å; I108-I200 HydrophobicContact CD1-CB 4.26Å; I108-I200 HydrophobicContact CD1-CG1 3.53Å; I108-A203 HydrophobicContact CD1-CB 3.65Å; I108-A203 HydrophobicContact CG1-CB 3.75Å; I108-A203 HydrophobicContact CG2-CB 4.37Å; I108-I205 PolarHBondContact N-O 3.46Å; I108-V206 HydrophobicContact CD1-CG2 4.35Å; I108-V206 HydrophobicContact CG1-CG1 4.43Å; I108-V206 HydrophobicContact CG1-CG2 4.2Å; I108-V207 PolarHBondContact O-N 3.04Å
109V94.2Very high87.7Confident0 Ų041.3 Ų41.30%022%0.215CC..EExtended strand (participates in β ladder)trans-110.5128.3170.256.40000111.1L80 I84 M178 T196 V207L80-V109 HydrophobicContact CB-CG2 3.96Å; L80-V109 HydrophobicContact CD1-CG2 4.47Å; I84-V109 HydrophobicContact CD1-CB 4.04Å; I84-V109 HydrophobicContact CG1-CB 3.79Å; I84-V109 HydrophobicContact CG1-CG1 4.17Å; I84-V109 HydrophobicContact CG1-CG2 4.48Å; V109-M178 HydrophobicContact CB-CG 4.49Å; V109-M178 HydrophobicContact CG1-CB 4.35Å; V109-M178 HydrophobicContact CG1-CG 3.53Å; V109-M178 VanDerWaalsContact CG1-N 3.35Å; V109-M178 HydrophobicContact CG2-CG 4.16Å; V109-T196 WeakPolarHBondContact O-CG2 3.46Å; V109-V207 CarbonylContact C-O 3.56Å; V109-V207 VanDerWaalsContact CA-O 3.29Å; V109-V207 WeakPolarHBondContact CA-O 3.43Å; V109-V207 HydrophobicContact CB-CB 4.5Å
110L91.7Very high88.2Confident1 Ų143.5 Ų43.51%0.00521%0.212CC..  trans-105130.5172.5-179.676.2000109.9Y193 T196 I200 V207 Y212 V222L110-Y193 HydrophobicContact CD1-CE2 4.5Å; L110-T196 HydrophobicContact CB-CG2 4.31Å; L110-T196 HydrophobicContact CD1-CG2 3.92Å; L110-I200 HydrophobicContact CB-CD1 4.23Å; L110-I200 HydrophobicContact CD1-CD1 4.17Å; L110-I200 HydrophobicContact CD2-CD1 3.66Å; L110-I200 HydrophobicContact CG-CD1 4.22Å; L110-V207 PolarHBondContact N-O 3.28Å; L110-Y212 HydrophobicContact CD2-CD1 3.56Å; L110-Y212 HydrophobicContact CD2-CE1 3.54Å; L110-Y212 HydrophobicContact CD2-CG 4.18Å; L110-Y212 HydrophobicContact CG-CE1 4.18Å; L110-V222 HydrophobicContact CD2-CG1 3.77Å; L110-V222 HydrophobicContact CD2-CG2 4.49Å
111S91.3Very high88.7Confident5 Ų543.6 Ų43.64%0.03522%0.216CC..  trans-134.8-178.5172.1-161.30000110.5N115 M178 Y212S111-N115 PolarHBondContact OG-ND2 2.96Å; S111-M178 WeakPolarHBondContact CB-SD 3.28Å; S111-Y212 PolarHBondContact O-OH 2.91Å
112S88.5Confident89.3Confident43 Ų4333.9 Ų33.930%0.30117%0.174SC..  trans-67162.6-178.967.10000112.3K114 N115 L116 Y212S112-K114 PolarHBondContact O-N 2.91Å; S112-N115 PolarHBondContact O-N 3.32Å; S112-L116 PolarHBondContact O-N 2.79Å; S112-Y212 WeakPolarHBondContact CA-OH 3.41Å; S112-Y212 PolarHBondContact N-OH 3.34Å
113R89.6Confident89.8Confident21 Ų2140.2 Ų40.28%0.07920%0.201CC..Hα-helixtrans-58.5-33.4176.4-61-168.3-172.6156.2-4.8111.9N115 L116 C117 V131 D132 Y193R113-N115 PolarHBondContact O-N 3.03Å; R113-L116 PolarHBondContact O-N 3.37Å; R113-C117 WeakPolarHBondContact O-CB 3.13Å; R113-C117 PolarHBondContact O-N 2.96Å; R113-V131 HydrophobicContact CB-CG1 3.92Å; R113-D132 WeakPolarHBondContact CB-OD1 3.47Å; R113-D132 WeakPolarHBondContact CD-OD1 3.07Å; R113-D132 WeakPolarHBondContact CG-OD1 3.42Å; R113-D132 IonicContact NE-OD1 3.41Å; R113-D132 PolarHBondContact NH1-O 3.03Å; R113-D132 IonicContact NH1-OD1 3.85Å; R113-Y193 HydrophobicContact CG-CD1 4.13Å; R113-Y193 HydrophobicContact CG-CD2 3.75Å; R113-Y193 HydrophobicContact CG-CE1 4.09Å; R113-Y193 HydrophobicContact CG-CE2 3.68Å; R113-Y193 HydrophobicContact CG-CG 3.97Å
114K89.9Confident90.2Very high108 Ų10847.7 Ų47.747%0.4724%0.236SC..Hα-helixtrans-53.5-40.1173.7179.6173.6174.8162.90112.2S112 G126S112-K114 PolarHBondContact O-N 2.91Å; K114-G126 WeakPolarHBondContact CD-O 3.37Å; K114-G126 WeakPolarHBondContact CE-O 3.01Å; K114-G126 PolarHBondContact NZ-O 3.48Å
115N90Very high90Very high46 Ų4647.7 Ų47.725%0.24623%0.231CC..Hα-helixtrans-87.8-21.3-177.1-68-18.9000113.4S111 S112 R113 M178 K182S111-N115 PolarHBondContact OG-ND2 2.96Å; S112-N115 PolarHBondContact O-N 3.32Å; R113-N115 PolarHBondContact O-N 3.03Å; N115-M178 HydrophobicContact CB-SD 4.2Å; N115-K182 WeakPolarHBondContact O-CE 3.21Å; N115-K182 PolarHBondContact O-NZ 3Å
116L92.3Very high89.5Confident0 Ų048.6 Ų48.60%025%0.246CC..Hα-helixtrans-108-12.7-176.8-71.7173.3000114.6S112 R113 M178 P192 Y193S112-L116 PolarHBondContact O-N 2.79Å; R113-L116 PolarHBondContact O-N 3.37Å; L116-M178 HydrophobicContact CD2-CB 4.12Å; L116-M178 HydrophobicContact CD2-CG 4.18Å; L116-P192 HydrophobicContact CB-CB 4.4Å; L116-P192 WeakPolarHBondContact O-CB 3.31Å; L116-P192 VanDerWaalsContact O-CG 3.27Å; L116-P192 WeakPolarHBondContact O-CG 3.42Å; L116-Y193 HydrophobicContact CD1-CD2 4.26Å
117C92.8Very high88.9Confident21 Ų2153.4 Ų53.414%0.14227%0.271CS..  trans-70136.7-176.9-168.10000113.2R113R113-C117 WeakPolarHBondContact O-CB 3.13Å; R113-C117 PolarHBondContact O-N 2.96Å
118I91.7Very high88.3Confident36 Ų3654.5 Ų54.519%0.18528%0.282CS..  trans-103.8-24175.6-65.3172.4000112R120 Y158 K182 A185 K186 P192I118-R120 PolarHBondContact O-N 3.47Å; I118-Y158 HydrophobicContact CG2-CE1 4.38Å; I118-Y158 HydrophobicContact CG2-CE2 4.36Å; I118-K182 HydrophobicContact CD1-CB 4.28Å; I118-K182 HydrophobicContact CD1-CG 4.47Å; I118-K182 HydrophobicContact CG1-CG 4.35Å; I118-A185 HydrophobicContact CD1-CB 4.27Å; I118-K186 HydrophobicContact CD1-CB 4.33Å; I118-P192 HydrophobicContact CD1-CG 3.21Å; I118-P192 HydrophobicContact CG1-CG 3.65Å
119Q90.6Very high87.7Confident43 Ų4357.6 Ų57.620%0.20131%0.308CS..  trans-64125-177.3-178.265.1-3.100110.8D121 V122 K123 L138Q119-D121 PolarHBondContact NE2-OD2 3.23Å; Q119-D121 PolarHBondContact O-N 3.47Å; Q119-V122 HydrophobicContact CB-CB 4.26Å; Q119-V122 HydrophobicContact CB-CG2 4.23Å; Q119-V122 HydrophobicContact CG-CB 4.39Å; Q119-V122 HydrophobicContact CG-CG2 3.97Å; Q119-V122 PolarHBondContact O-N 3.35Å; Q119-K123 VanDerWaalsContact O-CB 3.29Å; Q119-K123 WeakPolarHBondContact O-CB 3.49Å; Q119-K123 PolarHBondContact O-N 2.94Å; Q119-L138 HydrophobicContact CG-CD1 4.38Å
120R87.9Confident87.3Confident198 Ų19859.3 Ų59.375%0.74732%0.322SS*.Hα-helixtrans-60.7-47.7-172.1-68.1-176.1179.5179.90.1112.2I118 V122 K123 Q124I118-R120 PolarHBondContact O-N 3.47Å; R120-V122 VanDerWaalsContact C-N 3.33Å; R120-V122 PolarHBondContact O-N 3.24Å; R120-K123 PolarHBondContact O-N 2.88Å; R120-Q124 WeakPolarHBondContact O-CG 3.12Å; R120-Q124 PolarHBondContact O-N 2.89Å; R120-Q124 VanDerWaalsContact O-N 3.15Å
121D87.4Confident87.1Confident110 Ų11059.4 Ų59.459%0.58832%0.323SS*.Hα-helixtrans-63.2-40.6-176.6-43.8-36.9000111.9Q119Q119-D121 PolarHBondContact NE2-OD2 3.23Å; Q119-D121 PolarHBondContact O-N 3.47Å
122V87.8Confident86.9Confident4 Ų462 Ų622%0.02434%0.336CS..Hα-helixtrans-72.4-39.7179.2177.10000110.7Q119 R120 Q124 A125 V131 A134 C135 L138Q119-V122 HydrophobicContact CB-CB 4.26Å; Q119-V122 HydrophobicContact CB-CG2 4.23Å; Q119-V122 HydrophobicContact CG-CB 4.39Å; Q119-V122 HydrophobicContact CG-CG2 3.97Å; Q119-V122 PolarHBondContact O-N 3.35Å; R120-V122 VanDerWaalsContact C-N 3.33Å; R120-V122 PolarHBondContact O-N 3.24Å; V122-Q124 VanDerWaalsContact C-N 3.28Å; V122-Q124 PolarHBondContact O-N 3.05Å; V122-A125 WeakPolarHBondContact O-CB 3.25Å; V122-A125 PolarHBondContact O-N 3.46Å; V122-V131 HydrophobicContact CG1-CG1 3.86Å; V122-A134 HydrophobicContact CB-CB 4.48Å; V122-A134 HydrophobicContact CG1-CB 4.23Å; V122-A134 HydrophobicContact CG2-CB 4.15Å; V122-C135 HydrophobicContact CG1-CB 4.25Å; V122-L138 HydrophobicContact CG2-CD1 3.71Å
123K87.1Confident86.7Confident135 Ų13560.3 Ų60.359%0.58732%0.324SS*.Hα-helixtrans-64.7-31.8-179.5-173.5178.7177.1-1730112.7Q119 R120 A125Q119-K123 VanDerWaalsContact O-CB 3.29Å; Q119-K123 WeakPolarHBondContact O-CB 3.49Å; Q119-K123 PolarHBondContact O-N 2.94Å; R120-K123 PolarHBondContact O-N 2.88Å; K123-A125 VanDerWaalsContact C-N 3.27Å; K123-A125 PolarHBondContact O-N 2.92Å
124Q87Confident86.6Confident162 Ų16260.3 Ų60.376%0.75733%0.329SS*.THydrogen-bonded Turntrans-73.2-14.3179.6-73.2177.73.100114R120 V122 G126R120-Q124 WeakPolarHBondContact O-CG 3.12Å; R120-Q124 PolarHBondContact O-N 2.89Å; R120-Q124 VanDerWaalsContact O-N 3.15Å; V122-Q124 VanDerWaalsContact C-N 3.28Å; V122-Q124 PolarHBondContact O-N 3.05Å; Q124-G126 PolarHBondContact O-N 2.94Å; Q124-G126 VanDerWaalsContact O-N 3.13Å
125A80Confident86.6Confident43 Ų4355.8 Ų55.836%0.35531%0.311SS..THydrogen-bonded Turntrans-63.8-17.7179.800000113.9V122 K123 D127 A130 V131V122-A125 WeakPolarHBondContact O-CB 3.25Å; V122-A125 PolarHBondContact O-N 3.46Å; K123-A125 VanDerWaalsContact C-N 3.27Å; K123-A125 PolarHBondContact O-N 2.92Å; A125-D127 VanDerWaalsContact C-N 3.26Å; A125-D127 PolarHBondContact O-N 3.48Å; A125-A130 HydrophobicContact CB-CB 4.02Å; A125-V131 HydrophobicContact CB-CG2 4.13Å
126G78.7Confident86.4Confident39 Ų3953.6 Ų53.640%0.40230%0.299SS..  trans75.8-60.5169.900000115.1K114 Q124K114-G126 WeakPolarHBondContact CD-O 3.37Å; K114-G126 WeakPolarHBondContact CE-O 3.01Å; K114-G126 PolarHBondContact NZ-O 3.48Å; Q124-G126 PolarHBondContact O-N 2.94Å; Q124-G126 VanDerWaalsContact O-N 3.13Å
127D80Confident86.1Confident107 Ų10759.3 Ų59.357%0.57232%0.321SS*.SBendtrans-79.4145.7-178.4-171.722.2000112.1A125 A129 A130 V131A125-D127 VanDerWaalsContact C-N 3.26Å; A125-D127 PolarHBondContact O-N 3.48Å; D127-A129 PolarHBondContact O-N 2.68Å; D127-A130 HydrophobicContact CB-CB 4.15Å; D127-A130 PolarHBondContact O-N 2.84Å; D127-V131 WeakPolarHBondContact O-CB 3.26Å; D127-V131 VanDerWaalsContact O-CG2 3.22Å; D127-V131 WeakPolarHBondContact O-CG2 3.33Å; D127-V131 PolarHBondContact O-N 3.44Å
128G82.2Confident85.9Confident22 Ų2259.3 Ų59.323%0.22732%0.319CS..Hα-helixtrans-59.4-47-177.600000112.7A130 V131 D132G128-A130 VanDerWaalsContact C-N 3.34Å; G128-A130 PolarHBondContact O-N 3.33Å; G128-V131 WeakPolarHBondContact O-CB 3.23Å; G128-V131 PolarHBondContact O-N 3.2Å; G128-D132 VanDerWaalsContact O-CG 3.31Å; G128-D132 PolarHBondContact O-N 3.35Å
129A81Confident85.7Confident66 Ų6657.7 Ų57.755%0.54531%0.311SS..Hα-helixtrans-66.1-36.4179.200000112.4D127 D132 S133D127-A129 PolarHBondContact O-N 2.68Å; A129-D132 PolarHBondContact O-N 2.69Å; A129-S133 PolarHBondContact O-N 3.43Å
130A85.3Confident85.3Confident36 Ų3655.7 Ų55.730%0.29830%0.302SS..Hα-helixtrans-67.7-42.617600000111.4A125 D127 G128 D132 S133 A134A125-A130 HydrophobicContact CB-CB 4.02Å; D127-A130 HydrophobicContact CB-CB 4.15Å; D127-A130 PolarHBondContact O-N 2.84Å; G128-A130 VanDerWaalsContact C-N 3.34Å; G128-A130 PolarHBondContact O-N 3.33Å; A130-D132 VanDerWaalsContact C-N 3.32Å; A130-D132 PolarHBondContact O-N 3.38Å; A130-S133 PolarHBondContact O-N 3.47Å; A130-A134 VanDerWaalsContact O-CB 3.31Å; A130-A134 WeakPolarHBondContact O-CB 3.27Å; A130-A134 PolarHBondContact O-N 2.97Å
131V88.6Confident85Confident2 Ų246.8 Ų46.81%0.01227%0.27CS..Hα-helixtrans-58.9-43.3172.9167.70000111R113 V122 A125 D127 G128 A134 C135R113-V131 HydrophobicContact CB-CG1 3.92Å; V122-V131 HydrophobicContact CG1-CG1 3.86Å; A125-V131 HydrophobicContact CB-CG2 4.13Å; D127-V131 WeakPolarHBondContact O-CB 3.26Å; D127-V131 VanDerWaalsContact O-CG2 3.22Å; D127-V131 WeakPolarHBondContact O-CG2 3.33Å; D127-V131 PolarHBondContact O-N 3.44Å; G128-V131 WeakPolarHBondContact O-CB 3.23Å; G128-V131 PolarHBondContact O-N 3.2Å; V131-A134 PolarHBondContact O-N 3.43Å; V131-C135 VanDerWaalsContact O-CB 3.24Å; V131-C135 WeakPolarHBondContact O-CB 3.39Å; V131-C135 PolarHBondContact O-N 3Å
132D85.7Confident84.8Confident59 Ų5942 Ų4232%0.31624%0.244SC..Hα-helixtrans-65-42.7179.1-70.9-25.4000112R113 G128 A129 A130 F136R113-D132 WeakPolarHBondContact CB-OD1 3.47Å; R113-D132 WeakPolarHBondContact CD-OD1 3.07Å; R113-D132 WeakPolarHBondContact CG-OD1 3.42Å; R113-D132 IonicContact NE-OD1 3.41Å; R113-D132 PolarHBondContact NH1-O 3.03Å; R113-D132 IonicContact NH1-OD1 3.85Å; G128-D132 VanDerWaalsContact O-CG 3.31Å; G128-D132 PolarHBondContact O-N 3.35Å; A129-D132 PolarHBondContact O-N 2.69Å; A130-D132 VanDerWaalsContact C-N 3.32Å; A130-D132 PolarHBondContact O-N 3.38Å; D132-F136 WeakPolarHBondContact O-CB 3.15Å; D132-F136 PolarHBondContact O-N 3.41Å
133S84.2Confident84.6Confident8 Ų842.5 Ų42.56%0.05625%0.247CC..Hα-helixtrans-66.3-42.6176-167.10000112A129 A130 F136 R137 Y392 A393A129-S133 PolarHBondContact O-N 3.43Å; A130-S133 PolarHBondContact O-N 3.47Å; S133-F136 PolarHBondContact O-N 3.45Å; S133-R137 PolarHBondContact O-N 2.89Å; S133-Y392 PolarHBondContact OG-N 3.41Å; S133-A393 PolarHBondContact OG-N 3.29Å
134A87.8Confident84.5Confident22 Ų2236.8 Ų36.818%0.18222%0.222CC..Hα-helixtrans-66.9-39.6178.200000111.8V122 A130 V131 R137V122-A134 HydrophobicContact CB-CB 4.48Å; V122-A134 HydrophobicContact CG1-CB 4.23Å; V122-A134 HydrophobicContact CG2-CB 4.15Å; A130-A134 VanDerWaalsContact O-CB 3.31Å; A130-A134 WeakPolarHBondContact O-CB 3.27Å; A130-A134 PolarHBondContact O-N 2.97Å; V131-A134 PolarHBondContact O-N 3.43Å; A134-R137 PolarHBondContact O-N 3.41Å
135C89.5Confident84.4Confident13 Ų1335.6 Ų35.69%0.08821%0.214CC..Hα-helixtrans-60.8-48.7172.2-175.40000110.6V122 V131 R137 L138 T139V122-C135 HydrophobicContact CG1-CB 4.25Å; V131-C135 VanDerWaalsContact O-CB 3.24Å; V131-C135 WeakPolarHBondContact O-CB 3.39Å; V131-C135 PolarHBondContact O-N 3Å; C135-R137 VanDerWaalsContact C-N 3.32Å; C135-R137 PolarHBondContact O-N 3.46Å; C135-L138 PolarHBondContact O-N 3.32Å; C135-T139 PolarHBondContact O-N 3.47Å; C135-T139 PolarHBondContact O-OG1 3.16Å; C135-T139 VanDerWaalsContact O-OG1 3.12Å
136F85.9Confident84.7Confident0 Ų037.6 Ų37.60%021%0.214CC..Hα-helixtrans-60.4-41.1179.9-172.9-98.5000112.7D132 S133 L138 T139 A140 F142 V305 Y392D132-F136 WeakPolarHBondContact O-CB 3.15Å; D132-F136 PolarHBondContact O-N 3.41Å; S133-F136 PolarHBondContact O-N 3.45Å; F136-L138 PolarHBondContact O-N 2.85Å; F136-T139 PolarHBondContact O-N 3.25Å; F136-T139 VanDerWaalsContact O-N 3.1Å; F136-A140 HydrophobicContact CD1-CB 3.99Å; F136-A140 HydrophobicContact CD2-CB 4.29Å; F136-A140 HydrophobicContact CE1-CB 3.42Å; F136-A140 VanDerWaalsContact CE1-CB 3.42Å; F136-A140 HydrophobicContact CE2-CB 3.85Å; F136-A140 HydrophobicContact CG-CB 4.41Å; F136-A140 HydrophobicContact CZ-CB 3.42Å; F136-A140 VanDerWaalsContact CZ-CB 3.42Å; F136-A140 VanDerWaalsContact O-CB 3.27Å; F136-A140 WeakPolarHBondContact O-CB 3.29Å; F136-A140 PolarHBondContact O-N 2.87Å; F136-F142 AromaticContact CE1-CE1 3.94Å; F136-F142 HydrophobicContact CE1-CE1 3.94Å; F136-F142 AromaticContact CE1-CZ 3.88Å; F136-F142 HydrophobicContact CE1-CZ 3.88Å; F136-F142 HydrophobicContact CZ-CE1 4.01Å; F136-F142 HydrophobicContact CZ-CZ 4.4Å; F136-V305 HydrophobicContact CB-CG2 4.19Å; F136-V305 HydrophobicContact CD2-CB 4.31Å; F136-V305 HydrophobicContact CD2-CG2 3.14Å; F136-V305 HydrophobicContact CE2-CG2 3.61Å; F136-V305 HydrophobicContact CG-CG2 3.8Å; F136-Y392 AromaticContact CD1-CD2 3.5Å; F136-Y392 HydrophobicContact CD1-CD2 3.5Å; F136-Y392 VanDerWaalsContact CD1-CD2 3.5Å; F136-Y392 AromaticContact CD1-CE2 3.17Å; F136-Y392 HydrophobicContact CD1-CE2 3.17Å; F136-Y392 AromaticContact CE1-CD2 3.88Å; F136-Y392 HydrophobicContact CE1-CD2 3.88Å; F136-Y392 AromaticContact CE1-CE2 3.04Å; F136-Y392 HydrophobicContact CE1-CE2 3.04Å; F136-Y392 AromaticContact CE1-CZ 3.75Å; F136-Y392 HydrophobicContact CG-CD2 4.19Å; F136-Y392 HydrophobicContact CG-CE2 4.05Å; F136-Y392 AromaticContact CZ-CE2 3.76Å; F136-Y392 HydrophobicContact CZ-CE2 3.76Å
137R86.6Confident85Confident119 Ų11937.5 Ų37.545%0.44920%0.204SC..Hα-helixtrans-53.9-28.1175.8-170.2-172.8-64.3168.8-1.2113.1S133 A134 C135 A390 D391S133-R137 PolarHBondContact O-N 2.89Å; A134-R137 PolarHBondContact O-N 3.41Å; C135-R137 VanDerWaalsContact C-N 3.32Å; C135-R137 PolarHBondContact O-N 3.46Å; R137-A390 HydrophobicContact CB-CB 4.3Å; R137-A390 HydrophobicContact CG-CB 3.96Å; R137-D391 IonicContact CZ-OD1 3.49Å; R137-D391 IonicContact NE-OD1 2.87Å; R137-D391 PolarHBondContact NE-OD1 3.15Å; R137-D391 VanDerWaalsContact NH2-CG 3.31Å; R137-D391 IonicContact NH2-OD1 3.56Å; R137-D391 PolarHBondContact NH2-OD1 2.86Å; R137-D391 IonicContact NH2-OD2 2.72Å; R137-D391 PolarHBondContact NH2-OD2 3.16Å
138L87.9Confident85.2Confident22 Ų2239.4 Ų39.412%0.11521%0.211CC..Hα-helixtrans-98.2-23.1179.4-60.2176.7000114.2Q119 V122 C135 F136 P154 C156Q119-L138 HydrophobicContact CG-CD1 4.38Å; V122-L138 HydrophobicContact CG2-CD1 3.71Å; C135-L138 PolarHBondContact O-N 3.32Å; F136-L138 PolarHBondContact O-N 2.85Å; L138-P154 HydrophobicContact CD2-CB 3.98Å; L138-C156 HydrophobicContact CB-CB 3.96Å; L138-C156 PolarHBondContact O-N 3.45Å
139T87.7Confident85.5Confident2 Ų244 Ų441%0.01224%0.235CC..Hα-helixtrans-111.3-6.4-173.164.10000114.4C135 F136 R144 C156 Y159 F194C135-T139 PolarHBondContact O-N 3.47Å; C135-T139 PolarHBondContact O-OG1 3.16Å; C135-T139 VanDerWaalsContact O-OG1 3.12Å; F136-T139 PolarHBondContact O-N 3.25Å; F136-T139 VanDerWaalsContact O-N 3.1Å; T139-R144 WeakPolarHBondContact O-CD 3.39Å; T139-C156 HydrophobicContact CG2-CB 3.83Å; T139-Y159 HydrophobicContact CG2-CD1 4.09Å; T139-Y159 HydrophobicContact CG2-CG 3.96Å; T139-F194 HydrophobicContact CG2-CE2 4.39Å
140A83.9Confident85.8Confident0 Ų044 Ų440%023%0.226CC..  trans-57.2137.6-178.700000111.7F136 F142 V143 R144F136-A140 HydrophobicContact CD1-CB 3.99Å; F136-A140 HydrophobicContact CD2-CB 4.29Å; F136-A140 HydrophobicContact CE1-CB 3.42Å; F136-A140 VanDerWaalsContact CE1-CB 3.42Å; F136-A140 HydrophobicContact CE2-CB 3.85Å; F136-A140 HydrophobicContact CG-CB 4.41Å; F136-A140 HydrophobicContact CZ-CB 3.42Å; F136-A140 VanDerWaalsContact CZ-CB 3.42Å; F136-A140 VanDerWaalsContact O-CB 3.27Å; F136-A140 WeakPolarHBondContact O-CB 3.29Å; F136-A140 PolarHBondContact O-N 2.87Å; A140-F142 HydrophobicContact CB-CD1 4.04Å; A140-F142 HydrophobicContact CB-CD2 4.41Å; A140-F142 HydrophobicContact CB-CE1 3.61Å; A140-F142 HydrophobicContact CB-CE2 4.02Å; A140-F142 HydrophobicContact CB-CG 4.42Å; A140-F142 HydrophobicContact CB-CZ 3.6Å; A140-F142 PolarHBondContact O-N 3.03Å; A140-F142 VanDerWaalsContact O-N 3.14Å; A140-V143 HydrophobicContact CB-CB 4.3Å; A140-V143 HydrophobicContact CB-CG2 3.96Å; A140-V143 PolarHBondContact O-N 2.84Å; A140-R144 WeakPolarHBondContact O-CG 3.47Å; A140-R144 PolarHBondContact O-N 2.8Å
141S81.3Confident85.8Confident12 Ų1247.2 Ų47.28%0.08424%0.243CC..Hα-helixtrans-57.7-35.1-174.267.50000113.9K145 D303S141-K145 WeakPolarHBondContact O-CG 3.35Å; S141-K145 PolarHBondContact O-N 3.04Å; S141-D303 WeakPolarHBondContact CB-OD1 3.39Å; S141-D303 WeakPolarHBondContact CB-OD2 3.48Å; S141-D303 PolarHBondContact N-OD1 2.89Å; S141-D303 VanDerWaalsContact OG-CG 3.3Å; S141-D303 PolarHBondContact OG-OD1 3.01Å; S141-D303 PolarHBondContact OG-OD2 2.94Å
142F81.9Confident85.8Confident9 Ų953.9 Ų53.94%0.03928%0.279CS..Hα-helixtrans-71.7-34.3176.656.5-97.6000112.7F136 A140 K145 K146 E388 A390F136-F142 AromaticContact CE1-CE1 3.94Å; F136-F142 HydrophobicContact CE1-CE1 3.94Å; F136-F142 AromaticContact CE1-CZ 3.88Å; F136-F142 HydrophobicContact CE1-CZ 3.88Å; F136-F142 HydrophobicContact CZ-CE1 4.01Å; F136-F142 HydrophobicContact CZ-CZ 4.4Å; A140-F142 HydrophobicContact CB-CD1 4.04Å; A140-F142 HydrophobicContact CB-CD2 4.41Å; A140-F142 HydrophobicContact CB-CE1 3.61Å; A140-F142 HydrophobicContact CB-CE2 4.02Å; A140-F142 HydrophobicContact CB-CG 4.42Å; A140-F142 HydrophobicContact CB-CZ 3.6Å; A140-F142 PolarHBondContact O-N 3.03Å; A140-F142 VanDerWaalsContact O-N 3.14Å; F142-K145 PolarHBondContact O-N 3.45Å; F142-K146 WeakPolarHBondContact O-CB 3.14Å; F142-K146 WeakPolarHBondContact O-CG 3.39Å; F142-K146 PolarHBondContact O-N 3.02Å; F142-E388 HydrophobicContact CB-CB 4.24Å; F142-E388 HydrophobicContact CB-CG 3.7Å; F142-E388 HydrophobicContact CD1-CB 4.27Å; F142-E388 HydrophobicContact CD1-CG 4.28Å; F142-E388 HydrophobicContact CD2-CB 3.6Å; F142-E388 HydrophobicContact CD2-CG 4.06Å; F142-E388 HydrophobicContact CE2-CB 3.92Å; F142-E388 WeakPolarHBondContact CE2-O 3.41Å; F142-E388 HydrophobicContact CG-CB 3.79Å; F142-E388 HydrophobicContact CG-CG 3.77Å; F142-E388 VanDerWaalsContact CZ-C 3.48Å; F142-E388 HydrophobicContact CZ-CB 4.39Å; F142-E388 WeakPolarHBondContact CZ-O 3.31Å; F142-A390 HydrophobicContact CE2-CB 4.32Å; F142-A390 HydrophobicContact CZ-CB 4.38Å
143V84.9Confident85.8Confident14 Ų1452.6 Ų52.69%0.08527%0.273CS..Hα-helixtrans-67.5-43.4173.8177.70000109.9A140 K145 K146 H147 V153 P154A140-V143 HydrophobicContact CB-CB 4.3Å; A140-V143 HydrophobicContact CB-CG2 3.96Å; A140-V143 PolarHBondContact O-N 2.84Å; V143-K145 VanDerWaalsContact C-N 3.35Å; V143-K145 PolarHBondContact O-N 3.39Å; V143-K146 PolarHBondContact O-N 2.91Å; V143-H147 WeakPolarHBondContact O-CB 3.25Å; V143-H147 PolarHBondContact O-N 3.22Å; V143-V153 HydrophobicContact CG1-CG1 3.81Å; V143-P154 WeakPolarHBondContact CG1-O 3.35Å
144R84.6Confident86Confident16 Ų1656.4 Ų56.46%0.0630%0.298CS..Hα-helixtrans-59.3-44.5175.4-60.9178.364.3-159.5-0.4111.9T139 A140 H147 M148 Y159 E160 D163T139-R144 WeakPolarHBondContact O-CD 3.39Å; A140-R144 WeakPolarHBondContact O-CG 3.47Å; A140-R144 PolarHBondContact O-N 2.8Å; R144-H147 PolarHBondContact O-N 2.91Å; R144-M148 WeakPolarHBondContact O-CG 3.2Å; R144-M148 PolarHBondContact O-N 3.48Å; R144-M148 VanDerWaalsContact O-N 3.14Å; R144-Y159 VanDerWaalsContact CZ-CE1 3.49Å; R144-E160 WeakPolarHBondContact CD-OE1 3Å; R144-E160 VanDerWaalsContact CG-OE1 3.22Å; R144-E160 WeakPolarHBondContact CG-OE1 3.36Å; R144-E160 IonicContact CZ-OE1 2.79Å; R144-E160 IonicContact CZ-OE2 2.73Å; R144-E160 IonicContact NE-OE1 3.48Å; R144-E160 PolarHBondContact NE-OE1 3.03Å; R144-E160 IonicContact NE-OE2 3.49Å; R144-E160 PolarHBondContact NE-OE2 3.11Å; R144-E160 IonicContact NH2-OE1 2.78Å; R144-E160 IonicContact NH2-OE2 3.56Å; R144-E160 PolarHBondContact NH2-OE2 3.3Å; R144-D163 IonicContact CZ-OD2 2.73Å; R144-D163 VanDerWaalsContact CZ-OD2 3.23Å; R144-D163 IonicContact NH1-OD2 3.92Å; R144-D163 PolarHBondContact NH1-OD2 3.46Å; R144-D163 IonicContact NH2-OD2 3.73Å; R144-D163 PolarHBondContact NH2-OD2 3.38Å
145K84.9Confident86Confident136 Ų13659.6 Ų59.659%0.59131%0.306SS*.Hα-helixtrans-62.6-43.8174.6-75.1178.7-179-175.70112.2S141 F142 V143 H147 M148 T149S141-K145 WeakPolarHBondContact O-CG 3.35Å; S141-K145 PolarHBondContact O-N 3.04Å; F142-K145 PolarHBondContact O-N 3.45Å; V143-K145 VanDerWaalsContact C-N 3.35Å; V143-K145 PolarHBondContact O-N 3.39Å; K145-H147 VanDerWaalsContact C-N 3.31Å; K145-H147 PolarHBondContact O-N 3.17Å; K145-M148 WeakPolarHBondContact O-CB 3.15Å; K145-M148 PolarHBondContact O-N 2.74Å; K145-T149 PolarHBondContact O-N 2.78Å
146K85.1Confident86.1Confident85 Ų8559.4 Ų59.437%0.3730%0.304SS..Hα-helixtrans-63.4-37.2176.3-76178.3-176.7175.90112F142 V143 M148 T149 D150 V153 E388F142-K146 WeakPolarHBondContact O-CB 3.14Å; F142-K146 WeakPolarHBondContact O-CG 3.39Å; F142-K146 PolarHBondContact O-N 3.02Å; V143-K146 PolarHBondContact O-N 2.91Å; K146-M148 VanDerWaalsContact C-N 3.32Å; K146-M148 PolarHBondContact O-N 2.73Å; K146-T149 WeakPolarHBondContact CA-OG1 3.33Å; K146-T149 PolarHBondContact O-N 3.14Å; K146-T149 VanDerWaalsContact O-N 3.13Å; K146-T149 PolarHBondContact O-OG1 2.69Å; K146-D150 PolarHBondContact O-N 3.44Å; K146-V153 HydrophobicContact CB-CG2 4.38Å; K146-E388 WeakPolarHBondContact CE-OE2 3.34Å; K146-E388 IonicContact NZ-OE2 3.21Å; K146-E388 PolarHBondContact NZ-OE2 3.49Å
147H85.9Confident86.3Confident38 Ų3864.6 Ų64.618%0.17633%0.327CS..Hα-helixtrans-64.8-36175.8-176.268.5000112.6V143 R144 K145 T149 D150 P151 V153 Y155V143-H147 WeakPolarHBondContact O-CB 3.25Å; V143-H147 PolarHBondContact O-N 3.22Å; R144-H147 PolarHBondContact O-N 2.91Å; K145-H147 VanDerWaalsContact C-N 3.31Å; K145-H147 PolarHBondContact O-N 3.17Å; H147-T149 PolarHBondContact O-N 3.27Å; H147-D150 WeakPolarHBondContact CA-O 3.25Å; H147-D150 CarbonylContact O-C 3.52Å; H147-D150 PolarHBondContact O-N 2.98Å; H147-P151 PolarHBondContact CE1-O 3.03Å; H147-V153 HydrophobicContact CB-CB 4.27Å; H147-V153 PolarHBondContact ND1-O 3.47Å; H147-Y155 AromaticContact CD2-CD1 3.62Å; H147-Y155 AromaticContact CD2-CE1 3.9Å; H147-Y155 AromaticContact CD2-CG 3.87Å; H147-Y155 AromaticContact CE1-CD1 3.16Å; H147-Y155 WeakPolarHBondContact CE1-CD1 3.19Å; H147-Y155 AromaticContact CE1-CE1 3.21Å; H147-Y155 WeakPolarHBondContact CE1-CE1 3.35Å; H147-Y155 AromaticContact CG-CD1 3.73Å; H147-Y155 AromaticContact ND1-CD1 3.46Å; H147-Y155 WeakPolarHBondContact ND1-CD1 3.36Å; H147-Y155 AromaticContact ND1-CE1 3.99Å; H147-Y155 AromaticContact NE2-CD1 3.25Å; H147-Y155 VanDerWaalsContact NE2-CD1 3.25Å; H147-Y155 WeakPolarHBondContact NE2-CD1 3.43Å; H147-Y155 AromaticContact NE2-CE1 3.1Å; H147-Y155 WeakPolarHBondContact NE2-CE1 3.26Å; H147-Y155 AromaticContact NE2-CG 3.95Å; H147-Y155 AromaticContact NE2-CZ 3.65Å
148M84.7Confident86.5Confident147 Ų14761.3 Ų61.372%0.72432%0.315SS*.Hα-helixtrans-61.7-29.6173.4-68.1175.6174.200112.6R144 K145 K146R144-M148 WeakPolarHBondContact O-CG 3.2Å; R144-M148 PolarHBondContact O-N 3.48Å; R144-M148 VanDerWaalsContact O-N 3.14Å; K145-M148 WeakPolarHBondContact O-CB 3.15Å; K145-M148 PolarHBondContact O-N 2.74Å; K146-M148 VanDerWaalsContact C-N 3.32Å; K146-M148 PolarHBondContact O-N 2.73Å
149T88.1Confident86.7Confident118 Ų11860.4 Ų60.472%0.72431%0.31SS*.Hα-helixtrans-90.6-36.4177.452.10000113.5K145 K146 H147K145-T149 PolarHBondContact O-N 2.78Å; K146-T149 WeakPolarHBondContact CA-OG1 3.33Å; K146-T149 PolarHBondContact O-N 3.14Å; K146-T149 VanDerWaalsContact O-N 3.13Å; K146-T149 PolarHBondContact O-OG1 2.69Å; H147-T149 PolarHBondContact O-N 3.27Å
150D86.4Confident86.7Confident67 Ų6761.6 Ų61.636%0.35832%0.315SS..  trans-127.6106-179.8179.87.6000109.6K146 H147 N152 V153K146-D150 PolarHBondContact O-N 3.44Å; H147-D150 WeakPolarHBondContact CA-O 3.25Å; H147-D150 CarbonylContact O-C 3.52Å; H147-D150 PolarHBondContact O-N 2.98Å; D150-N152 PolarHBondContact O-N 3.31Å; D150-N152 WeakPolarHBondContact OD1-CB 3.49Å; D150-N152 PolarHBondContact OD1-N 3.21Å; D150-N152 PolarHBondContact OD1-ND2 3.2Å; D150-V153 HydrophobicContact CB-CG2 4.07Å; D150-V153 PolarHBondContact O-N 2.92Å
151P86Confident87Confident102 Ų10263.8 Ų63.866%0.66233%0.325SS*.THydrogen-bonded Turntrans-59.5-15.9-179.7-23.833.4000114.8H147 V153H147-P151 PolarHBondContact CE1-O 3.03Å; P151-V153 VanDerWaalsContact C-N 3.34Å
152N88.3Confident87.5Confident143 Ų14363.3 Ų63.377%0.76532%0.322SS*.THydrogen-bonded Turntrans-79.2-15.3-178.1-60.8-57000113.8D150D150-N152 PolarHBondContact O-N 3.31Å; D150-N152 WeakPolarHBondContact OD1-CB 3.49Å; D150-N152 PolarHBondContact OD1-N 3.21Å; D150-N152 PolarHBondContact OD1-ND2 3.2Å
153V86.1Confident87.7Confident32 Ų3264.8 Ų64.819%0.19433%0.33CS..SBendtrans-70.4128.7-178.6179.10000109.7V143 K146 H147 D150 P151V143-V153 HydrophobicContact CG1-CG1 3.81Å; K146-V153 HydrophobicContact CB-CG2 4.38Å; H147-V153 HydrophobicContact CB-CB 4.27Å; H147-V153 PolarHBondContact ND1-O 3.47Å; D150-V153 HydrophobicContact CB-CG2 4.07Å; D150-V153 PolarHBondContact O-N 2.92Å; P151-V153 VanDerWaalsContact C-N 3.34Å
154P88.3Confident87.8Confident88 Ų8869.5 Ų69.557%0.57135%0.354SS*.  trans-68.6138.5-178.928.5-35.1000111.3L138 V143L138-P154 HydrophobicContact CD2-CB 3.98Å; V143-P154 WeakPolarHBondContact CG1-O 3.35Å
155Y88.3Confident87.9Confident89 Ų8973.9 Ų73.935%0.34938%0.375SS..  trans-141.3166179.672.6-76.9000110.6H147 K157 E160H147-Y155 AromaticContact CD2-CD1 3.62Å; H147-Y155 AromaticContact CD2-CE1 3.9Å; H147-Y155 AromaticContact CD2-CG 3.87Å; H147-Y155 AromaticContact CE1-CD1 3.16Å; H147-Y155 WeakPolarHBondContact CE1-CD1 3.19Å; H147-Y155 AromaticContact CE1-CE1 3.21Å; H147-Y155 WeakPolarHBondContact CE1-CE1 3.35Å; H147-Y155 AromaticContact CG-CD1 3.73Å; H147-Y155 AromaticContact ND1-CD1 3.46Å; H147-Y155 WeakPolarHBondContact ND1-CD1 3.36Å; H147-Y155 AromaticContact ND1-CE1 3.99Å; H147-Y155 AromaticContact NE2-CD1 3.25Å; H147-Y155 VanDerWaalsContact NE2-CD1 3.25Å; H147-Y155 WeakPolarHBondContact NE2-CD1 3.43Å; H147-Y155 AromaticContact NE2-CE1 3.1Å; H147-Y155 WeakPolarHBondContact NE2-CE1 3.26Å; H147-Y155 AromaticContact NE2-CG 3.95Å; H147-Y155 AromaticContact NE2-CZ 3.65Å; Y155-K157 HydrophobicContact CE2-CB 4.39Å; Y155-K157 PolarHBondContact O-N 3.41Å; Y155-E160 HydrophobicContact CD2-CB 4.45Å; Y155-E160 HydrophobicContact CD2-CG 3.45Å; Y155-E160 VanDerWaalsContact CD2-CG 3.45Å; Y155-E160 HydrophobicContact CE2-CB 4.34Å; Y155-E160 HydrophobicContact CE2-CG 3.76Å
156C90.5Very high87.7Confident9 Ų967.4 Ų67.46%0.06135%0.347CS..  trans-89.8101.6176.1-175.20000111L138 T139 Y158 Y159 E160L138-C156 HydrophobicContact CB-CB 3.96Å; L138-C156 PolarHBondContact O-N 3.45Å; T139-C156 HydrophobicContact CG2-CB 3.83Å; C156-Y158 VanDerWaalsContact C-N 3.25Å; C156-Y158 PolarHBondContact O-N 3.23Å; C156-Y159 PolarHBondContact O-N 3.23Å; C156-E160 PolarHBondContact O-N 3.5Å; C156-E160 VanDerWaalsContact O-N 3.15Å
157K90.3Very high87.6Confident108 Ų10867.6 Ų67.647%0.4735%0.346SS..Hα-helixtrans-48.1-46.3175.8-178.3177176.3177.90112.9Y155 Y159 E160 E161Y155-K157 HydrophobicContact CE2-CB 4.39Å; Y155-K157 PolarHBondContact O-N 3.41Å; K157-Y159 VanDerWaalsContact C-N 3.29Å; K157-Y159 PolarHBondContact O-N 3.36Å; K157-E160 PolarHBondContact O-N 3.09Å; K157-E161 WeakPolarHBondContact CE-OE1 3.42Å; K157-E161 VanDerWaalsContact CG-OE1 3.32Å; K157-E161 WeakPolarHBondContact CG-OE1 3.48Å; K157-E161 IonicContact NZ-OE1 3.62Å; K157-E161 WeakPolarHBondContact O-CG 3.26Å; K157-E161 PolarHBondContact O-N 2.88Å; K157-E161 VanDerWaalsContact O-N 3.08Å
158Y92.2Very high87.5Confident51 Ų5171.9 Ų71.920%0.237%0.369CS..Hα-helixtrans-63.9-32.3-178.5-60.4-75.6000113.9I118 C156 F162 N189 Y190 C191I118-Y158 HydrophobicContact CG2-CE1 4.38Å; I118-Y158 HydrophobicContact CG2-CE2 4.36Å; C156-Y158 VanDerWaalsContact C-N 3.25Å; C156-Y158 PolarHBondContact O-N 3.23Å; Y158-F162 WeakPolarHBondContact O-CB 3.38Å; Y158-F162 PolarHBondContact O-N 3.1Å; Y158-N189 WeakPolarHBondContact CA-O 3.41Å; Y158-Y190 CarbonylContact O-C 3.55Å; Y158-C191 PolarHBondContact O-N 3.13Å
159Y90.9Very high87.5Confident3 Ų369.1 Ų69.11%0.01236%0.358CS..Hα-helixtrans-78.4-41.4179.8178.2-104.9000111.3T139 R144 C156 K157 F162 D163 F194 T302T139-Y159 HydrophobicContact CG2-CD1 4.09Å; T139-Y159 HydrophobicContact CG2-CG 3.96Å; R144-Y159 VanDerWaalsContact CZ-CE1 3.49Å; C156-Y159 PolarHBondContact O-N 3.23Å; K157-Y159 VanDerWaalsContact C-N 3.29Å; K157-Y159 PolarHBondContact O-N 3.36Å; Y159-F162 PolarHBondContact O-N 2.77Å; Y159-D163 PolarHBondContact O-N 3.25Å; Y159-F194 HydrophobicContact CD2-CB 4.15Å; Y159-F194 HydrophobicContact CD2-CD1 4.32Å; Y159-F194 AromaticContact CD2-CD2 3.25Å; Y159-F194 HydrophobicContact CD2-CD2 3.25Å; Y159-F194 AromaticContact CD2-CE2 3.56Å; Y159-F194 HydrophobicContact CD2-CE2 3.56Å; Y159-F194 AromaticContact CD2-CG 3.67Å; Y159-F194 HydrophobicContact CD2-CG 3.67Å; Y159-F194 HydrophobicContact CD2-CZ 4.23Å; Y159-F194 HydrophobicContact CE2-CB 4.15Å; Y159-F194 AromaticContact CE2-CD1 3.81Å; Y159-F194 HydrophobicContact CE2-CD1 3.81Å; Y159-F194 AromaticContact CE2-CD2 3.61Å; Y159-F194 HydrophobicContact CE2-CD2 3.61Å; Y159-F194 HydrophobicContact CE2-CE1 4.01Å; Y159-F194 AromaticContact CE2-CE2 3.82Å; Y159-F194 HydrophobicContact CE2-CE2 3.82Å; Y159-F194 AromaticContact CE2-CG 3.59Å; Y159-F194 HydrophobicContact CE2-CG 3.59Å; Y159-F194 HydrophobicContact CE2-CZ 4.01Å; Y159-F194 HydrophobicContact CG-CD2 4.31Å; Y159-F194 HydrophobicContact CG-CE2 4.36Å; Y159-T302 HydrophobicContact CE1-CG2 3.53Å; Y159-T302 HydrophobicContact CE2-CG2 3.86Å; Y159-T302 WeakPolarHBondContact OH-CG2 3.37Å
160E88.9Confident87.4Confident26 Ų2667 Ų6712%0.12135%0.346CS..Hα-helixtrans-61.6-46.3176-63.1-55.9145.900111.8R144 Y155 C156 K157 F162 D163 L164R144-E160 WeakPolarHBondContact CD-OE1 3Å; R144-E160 VanDerWaalsContact CG-OE1 3.22Å; R144-E160 WeakPolarHBondContact CG-OE1 3.36Å; R144-E160 IonicContact CZ-OE1 2.79Å; R144-E160 IonicContact CZ-OE2 2.73Å; R144-E160 IonicContact NE-OE1 3.48Å; R144-E160 PolarHBondContact NE-OE1 3.03Å; R144-E160 IonicContact NE-OE2 3.49Å; R144-E160 PolarHBondContact NE-OE2 3.11Å; R144-E160 IonicContact NH2-OE1 2.78Å; R144-E160 IonicContact NH2-OE2 3.56Å; R144-E160 PolarHBondContact NH2-OE2 3.3Å; Y155-E160 HydrophobicContact CD2-CB 4.45Å; Y155-E160 HydrophobicContact CD2-CG 3.45Å; Y155-E160 VanDerWaalsContact CD2-CG 3.45Å; Y155-E160 HydrophobicContact CE2-CB 4.34Å; Y155-E160 HydrophobicContact CE2-CG 3.76Å; C156-E160 PolarHBondContact O-N 3.5Å; C156-E160 VanDerWaalsContact O-N 3.15Å; K157-E160 PolarHBondContact O-N 3.09Å; E160-F162 VanDerWaalsContact C-N 3.26Å; E160-F162 PolarHBondContact O-N 2.86Å; E160-D163 PolarHBondContact O-N 3.46Å; E160-L164 WeakPolarHBondContact O-CB 3.45Å; E160-L164 VanDerWaalsContact O-CG 3.27Å; E160-L164 WeakPolarHBondContact O-CG 3.31Å; E160-L164 PolarHBondContact O-N 3.43Å
161E90Very high87.5Confident46 Ų4664.2 Ų64.222%0.21533%0.331CS..Hα-helixtrans-63.7-34.2178.3-70.3-175.6-155.700112K157 H165 N189 Y190K157-E161 WeakPolarHBondContact CE-OE1 3.42Å; K157-E161 VanDerWaalsContact CG-OE1 3.32Å; K157-E161 WeakPolarHBondContact CG-OE1 3.48Å; K157-E161 IonicContact NZ-OE1 3.62Å; K157-E161 WeakPolarHBondContact O-CG 3.26Å; K157-E161 PolarHBondContact O-N 2.88Å; K157-E161 VanDerWaalsContact O-N 3.08Å; E161-H165 PolarHBondContact O-N 3.36Å; E161-N189 WeakPolarHBondContact OE2-CB 3.39Å; E161-Y190 HydrophobicContact CB-CD1 4.33Å; E161-Y190 WeakPolarHBondContact O-CE1 3.45Å
162F90.2Very high87.7Confident3 Ų362.5 Ų62.51%0.01332%0.32CS..Iπ-helixtrans-68.2-42.1173.1175-103.2000112.8Y158 Y159 E160 L164 G166 R167 Y190 F194 L195 Y198Y158-F162 WeakPolarHBondContact O-CB 3.38Å; Y158-F162 PolarHBondContact O-N 3.1Å; Y159-F162 PolarHBondContact O-N 2.77Å; E160-F162 VanDerWaalsContact C-N 3.26Å; E160-F162 PolarHBondContact O-N 2.86Å; F162-L164 VanDerWaalsContact C-N 3.3Å; F162-L164 PolarHBondContact O-N 3.11Å; F162-G166 WeakPolarHBondContact O-CA 3.31Å; F162-G166 PolarHBondContact O-N 2.91Å; F162-R167 PolarHBondContact O-N 2.98Å; F162-Y190 HydrophobicContact CB-CD1 4.14Å; F162-Y190 HydrophobicContact CB-CG 4.26Å; F162-Y190 HydrophobicContact CD2-CD2 4.36Å; F162-Y190 HydrophobicContact CD2-CG 4.13Å; F162-F194 HydrophobicContact CD1-CB 3.79Å; F162-F194 HydrophobicContact CE1-CB 3.73Å; F162-L195 HydrophobicContact CD2-CB 4.14Å; F162-L195 HydrophobicContact CD2-CD1 4.17Å; F162-L195 HydrophobicContact CE2-CB 3.88Å; F162-L195 HydrophobicContact CE2-CD1 3.61Å; F162-L195 HydrophobicContact CE2-CG 4.37Å; F162-L195 HydrophobicContact CZ-CB 4.48Å; F162-Y198 HydrophobicContact CZ-CD1 4.32Å; F162-Y198 HydrophobicContact CZ-CG 4.2Å
163D87.1Confident87.7Confident40 Ų4060.1 Ų60.121%0.21431%0.311CS..Iπ-helixtrans-68.1-31.7178.4-159.236.1000111.6R144 Y159 E160 R167R144-D163 IonicContact CZ-OD2 2.73Å; R144-D163 VanDerWaalsContact CZ-OD2 3.23Å; R144-D163 IonicContact NH1-OD2 3.92Å; R144-D163 PolarHBondContact NH1-OD2 3.46Å; R144-D163 IonicContact NH2-OD2 3.73Å; R144-D163 PolarHBondContact NH2-OD2 3.38Å; Y159-D163 PolarHBondContact O-N 3.25Å; E160-D163 PolarHBondContact O-N 3.46Å; D163-R167 IonicContact OD1-CZ 3.85Å; D163-R167 IonicContact OD1-NE 2.65Å; D163-R167 IonicContact OD1-NH1 3.36Å; D163-R167 PolarHBondContact OD1-NH1 3.32Å; D163-R167 IonicContact OD1-NH2 3.8Å
164L86.3Confident87.9Confident112 Ų11259.4 Ų59.459%0.58631%0.31SS*.Iπ-helixtrans-77.7-43178.6-71.9170.2000114.1E160 F162E160-L164 WeakPolarHBondContact O-CB 3.45Å; E160-L164 VanDerWaalsContact O-CG 3.27Å; E160-L164 WeakPolarHBondContact O-CG 3.31Å; E160-L164 PolarHBondContact O-N 3.43Å; F162-L164 VanDerWaalsContact C-N 3.3Å; F162-L164 PolarHBondContact O-N 3.11Å
165H87.7Confident88.1Confident109 Ų10956.1 Ų56.151%0.50529%0.287SS..Iπ-helixtrans-128.9-20.4-170.1-59.6-53.8000114.5E161 N169 Y190E161-H165 PolarHBondContact O-N 3.36Å; H165-N169 PolarHBondContact O-ND2 3.44Å; H165-Y190 HydrophobicContact CB-CE1 4.11Å; H165-Y190 VanDerWaalsContact CB-OH 3.32Å; H165-Y190 WeakPolarHBondContact CB-OH 3.44Å; H165-Y190 PolarHBondContact O-OH 3.36Å
166G79.7Confident88.3Confident0 Ų053.4 Ų53.40%028%0.277CS..Iπ-helixtrans-76.6-22.2-172.400000114.2F162F162-G166 WeakPolarHBondContact O-CA 3.31Å; F162-G166 PolarHBondContact O-N 2.91Å
167R83.5Confident88.5Confident89 Ų8953.6 Ų53.634%0.33628%0.277SS..THydrogen-bonded Turntrans-75.9-31.5177.2-70.2178.3168.8-177.3-4.1113F162 D163 N169 Y198 E301F162-R167 PolarHBondContact O-N 2.98Å; D163-R167 IonicContact OD1-CZ 3.85Å; D163-R167 IonicContact OD1-NE 2.65Å; D163-R167 IonicContact OD1-NH1 3.36Å; D163-R167 PolarHBondContact OD1-NH1 3.32Å; D163-R167 IonicContact OD1-NH2 3.8Å; R167-N169 VanDerWaalsContact C-N 3.32Å; R167-Y198 PolarHBondContact O-OH 2.9Å; R167-E301 IonicContact CZ-OE2 3.04Å; R167-E301 IonicContact NH2-OE2 2.77Å; R167-E301 PolarHBondContact NH2-OE2 2.94Å
168D84.5Confident88.5Confident127 Ų12748.7 Ų48.768%0.67926%0.256SS*.THydrogen-bonded Turntrans-77.1-22.1179.7-60.2-31.8000112.6P170D168-P170 VanDerWaalsContact O-CD 3.23Å; D168-P170 WeakPolarHBondContact O-CD 3.31Å
169N84.3Confident88.5Confident89 Ų8949 Ų4948%0.47627%0.269SS..SBendtrans-11385.2-177.3-66-61.9000110.4H165 R167H165-N169 PolarHBondContact O-ND2 3.44Å; R167-N169 VanDerWaalsContact C-N 3.32Å
170P85.6Confident88.6Confident74 Ų7451.4 Ų51.448%0.48128%0.282SS..PPolyproline II helixtrans-61153.4177.327.1-34.6000110.9D168 Y202D168-P170 VanDerWaalsContact O-CD 3.23Å; D168-P170 WeakPolarHBondContact O-CD 3.31Å; P170-Y202 HydrophobicContact CB-CE1 4.19Å; P170-Y202 HydrophobicContact CB-CE2 3.9Å
171L89.1Confident88.8Confident8 Ų850.2 Ų50.24%0.04228%0.277CS..PPolyproline II helixtrans-58.7128.1174.9-78.7176.5000109.6L106 Y176 Y184 L195 A199 Y202L106-L171 HydrophobicContact CD1-CB 4.34Å; L106-L171 HydrophobicContact CD2-CB 4.37Å; L171-Y176 HydrophobicContact CB-CE2 4.45Å; L171-Y184 HydrophobicContact CD2-CD1 3.65Å; L171-Y184 HydrophobicContact CD2-CE1 3.44Å; L171-Y184 VanDerWaalsContact CD2-CE1 3.44Å; L171-Y184 HydrophobicContact CD2-CG 4.29Å; L171-L195 HydrophobicContact CD1-CD1 4.49Å; L171-L195 HydrophobicContact CD1-CG 4.23Å; L171-L195 HydrophobicContact CD2-CD1 4.25Å; L171-L195 HydrophobicContact CD2-CD2 4.04Å; L171-L195 HydrophobicContact CD2-CG 4.3Å; L171-L195 HydrophobicContact CG-CD1 4.06Å; L171-L195 HydrophobicContact CG-CG 4.26Å; L171-A199 HydrophobicContact CD1-CB 3.72Å; L171-A199 HydrophobicContact CG-CB 4.5Å; L171-Y202 HydrophobicContact CB-CE2 4.41Å; L171-Y202 PolarHBondContact N-OH 2.96Å
172P89.4Confident89Confident66 Ų6651.1 Ų51.143%0.42928%0.28SS..PPolyproline II helixtrans-65.4153.2178.521-23.9000110.4G174 Y176P172-G174 PolarHBondContact O-N 3.18Å; P172-Y176 WeakPolarHBondContact CD-OH 3.39Å; P172-Y176 VanDerWaalsContact CG-OH 3.29Å; P172-Y176 WeakPolarHBondContact CG-OH 3.39Å; P172-Y176 VanDerWaalsContact O-CE2 3.27Å; P172-Y176 WeakPolarHBondContact O-CE2 3.34Å; P172-Y176 PolarHBondContact O-OH 3.33Å
173T88.2Confident89.2Confident94 Ų9455.4 Ų55.458%0.57731%0.307SS*.SBendtrans-53133177.953.70000110.9
174G90.2Very high89.5Confident17 Ų1755.8 Ų55.818%0.17531%0.305CS..EExtended strand (participates in β ladder)trans157.8175.8-174.100000110.8L105 L106 G107 P172L105-G174 PolarHBondContact O-N 3.11Å; L106-G174 WeakPolarHBondContact CA-O 3.36Å; L106-G174 WeakPolarHBondContact CD1-O 3.47Å; G107-G174 PolarHBondContact N-O 3.41Å; P172-G174 PolarHBondContact O-N 3.18Å
175I93.2Very high89.7Confident19 Ų1950.5 Ų50.510%0.09728%0.277CS..EExtended strand (participates in β ladder)trans-113118.6179.2-64.3152.5000109.1I84 L87 K88 D91 G107I84-I175 HydrophobicContact CD1-CG2 4.47Å; I84-I175 HydrophobicContact CG2-CG2 3.71Å; L87-I175 HydrophobicContact CB-CD1 4.28Å; L87-I175 HydrophobicContact CB-CG2 4.38Å; L87-I175 HydrophobicContact CD2-CD1 4.14Å; L87-I175 HydrophobicContact CD2-CG1 3.98Å; L87-I175 HydrophobicContact CD2-CG2 4.08Å; L87-I175 HydrophobicContact CG-CD1 3.62Å; L87-I175 HydrophobicContact CG-CG1 4.02Å; L87-I175 HydrophobicContact CG-CG2 4.33Å; L87-I175 VanDerWaalsContact O-CD1 3.26Å; L87-I175 WeakPolarHBondContact O-CD1 3.48Å; K88-I175 HydrophobicContact CG-CB 3.97Å; K88-I175 HydrophobicContact CG-CG2 3.64Å; D91-I175 HydrophobicContact CB-CD1 3.21Å; G107-I175 WeakPolarHBondContact O-CA 3.24Å
176Y93.6Very high90Very high31 Ų3152 Ų5212%0.12228%0.282CS..EExtended strand (participates in β ladder)trans-110.4119.1-175.9-59.2-90.7000110.4L106 G107 L171 P172 D180 I181L106-Y176 HydrophobicContact CD1-CD2 3.75Å; L106-Y176 HydrophobicContact CD1-CE2 3.53Å; G107-Y176 PolarHBondContact O-N 3.06Å; L171-Y176 HydrophobicContact CB-CE2 4.45Å; P172-Y176 WeakPolarHBondContact CD-OH 3.39Å; P172-Y176 VanDerWaalsContact CG-OH 3.29Å; P172-Y176 WeakPolarHBondContact CG-OH 3.39Å; P172-Y176 VanDerWaalsContact O-CE2 3.27Å; P172-Y176 WeakPolarHBondContact O-CE2 3.34Å; P172-Y176 PolarHBondContact O-OH 3.33Å; Y176-D180 HydrophobicContact CD1-CB 4.25Å; Y176-I181 HydrophobicContact CG-CG1 4.41Å
177N92.9Very high90.6Very high13 Ų1360.1 Ų60.17%0.0732%0.318CS..  trans-80166.5165.2-160.1-11.9000110I84 E85 A179 D180 I181I84-N177 HydrophobicContact CG2-CB 3.69Å; E85-N177 PolarHBondContact OE1-ND2 3.48Å; N177-A179 PolarHBondContact O-N 3.27Å; N177-D180 VanDerWaalsContact CB-OD2 3.24Å; N177-D180 WeakPolarHBondContact CB-OD2 3.31Å; N177-D180 PolarHBondContact N-OD2 2.8Å; N177-D180 WeakPolarHBondContact O-CB 3.41Å; N177-D180 PolarHBondContact O-N 2.93Å; N177-I181 WeakPolarHBondContact O-CG1 3.45Å; N177-I181 PolarHBondContact O-N 3.27Å
178M91.4Very high90.9Very high6 Ų659.2 Ų59.23%0.0332%0.317CS..Hα-helixtrans-55.8-37.2-179.5-68-174.8-81.500112.4V77 E81 V109 S111 N115 L116 K182V77-M178 HydrophobicContact CG1-CE 3.47Å; V77-M178 VanDerWaalsContact CG1-CE 3.47Å; V77-M178 HydrophobicContact CG1-SD 4.2Å; E81-M178 HydrophobicContact CG-CE 3.23Å; E81-M178 WeakPolarHBondContact OE1-CE 3.41Å; V109-M178 HydrophobicContact CB-CG 4.49Å; V109-M178 HydrophobicContact CG1-CB 4.35Å; V109-M178 HydrophobicContact CG1-CG 3.53Å; V109-M178 VanDerWaalsContact CG1-N 3.35Å; V109-M178 HydrophobicContact CG2-CG 4.16Å; S111-M178 WeakPolarHBondContact CB-SD 3.28Å; N115-M178 HydrophobicContact CB-SD 4.2Å; L116-M178 HydrophobicContact CD2-CB 4.12Å; L116-M178 HydrophobicContact CD2-CG 4.18Å; M178-K182 WeakPolarHBondContact O-CG 3.42Å; M178-K182 PolarHBondContact O-N 2.98Å
179A92.8Very high91.2Very high58 Ų5856.3 Ų56.348%0.47930%0.302SS..Hα-helixtrans-65.7-43.5174.500000111.8N177 K182 T183N177-A179 PolarHBondContact O-N 3.27Å; A179-K182 WeakPolarHBondContact O-CB 3.35Å; A179-K182 PolarHBondContact O-N 3.28Å; A179-T183 WeakPolarHBondContact O-CG2 3.44Å; A179-T183 PolarHBondContact O-N 3.26Å
180D93.1Very high91.7Very high52 Ų5253 Ų5328%0.27828%0.283SS..Hα-helixtrans-66.1-39.6-179.6-52-40.6000111.6K88 Y176 N177 K182 T183 Y184K88-D180 WeakPolarHBondContact CE-OD2 3.39Å; K88-D180 IonicContact NZ-OD1 3.68Å; K88-D180 IonicContact NZ-OD2 3.79Å; K88-D180 PolarHBondContact NZ-OD2 3.4Å; Y176-D180 HydrophobicContact CD1-CB 4.25Å; N177-D180 VanDerWaalsContact CB-OD2 3.24Å; N177-D180 WeakPolarHBondContact CB-OD2 3.31Å; N177-D180 PolarHBondContact N-OD2 2.8Å; N177-D180 WeakPolarHBondContact O-CB 3.41Å; N177-D180 PolarHBondContact O-N 2.93Å; D180-K182 VanDerWaalsContact C-N 3.3Å; D180-K182 PolarHBondContact O-N 2.91Å; D180-T183 WeakPolarHBondContact CA-OG1 3.23Å; D180-T183 PolarHBondContact O-N 3.41Å; D180-T183 PolarHBondContact O-OG1 2.65Å; D180-Y184 VanDerWaalsContact O-CB 3.31Å; D180-Y184 WeakPolarHBondContact O-CB 3.48Å; D180-Y184 PolarHBondContact O-N 3.33Å
181I93.1Very high92.1Very high1 Ų150 Ų501%0.00526%0.264CS..Hα-helixtrans-61.9-42.5174.7-60.3176.8000109.6Y176 N177 A185 P192 T196Y176-I181 HydrophobicContact CG-CG1 4.41Å; N177-I181 WeakPolarHBondContact O-CG1 3.45Å; N177-I181 PolarHBondContact O-N 3.27Å; I181-A185 WeakPolarHBondContact O-CB 3.43Å; I181-A185 PolarHBondContact O-N 2.86Å; I181-P192 HydrophobicContact CG2-CB 3.94Å; I181-T196 HydrophobicContact CD1-CG2 4.06Å; I181-T196 WeakPolarHBondContact CG2-OG1 3.45Å
182K93.7Very high92.3Very high66 Ų6649.7 Ų49.729%0.28726%0.262SS..Hα-helixtrans-65.1-41.7177-73.2172-177169.30112.7N115 I118 M178 A179 D180 K186 P192N115-K182 WeakPolarHBondContact O-CE 3.21Å; N115-K182 PolarHBondContact O-NZ 3Å; I118-K182 HydrophobicContact CD1-CB 4.28Å; I118-K182 HydrophobicContact CD1-CG 4.47Å; I118-K182 HydrophobicContact CG1-CG 4.35Å; M178-K182 WeakPolarHBondContact O-CG 3.42Å; M178-K182 PolarHBondContact O-N 2.98Å; A179-K182 WeakPolarHBondContact O-CB 3.35Å; A179-K182 PolarHBondContact O-N 3.28Å; D180-K182 VanDerWaalsContact C-N 3.3Å; D180-K182 PolarHBondContact O-N 2.91Å; K182-K186 VanDerWaalsContact O-CB 3.22Å; K182-K186 WeakPolarHBondContact O-CB 3.43Å; K182-K186 PolarHBondContact O-N 2.86Å; K182-P192 HydrophobicContact CG-CB 4.47Å; K182-P192 HydrophobicContact CG-CG 4.31Å
183T94.2Very high92.4Very high93 Ų9347.8 Ų47.857%0.57125%0.246SC*.Hα-helixtrans-67.3-43179.257.90000110.9A179 D180 K186 K187A179-T183 WeakPolarHBondContact O-CG2 3.44Å; A179-T183 PolarHBondContact O-N 3.26Å; D180-T183 WeakPolarHBondContact CA-OG1 3.23Å; D180-T183 PolarHBondContact O-N 3.41Å; D180-T183 PolarHBondContact O-OG1 2.65Å; T183-K186 PolarHBondContact O-N 3.22Å; T183-K187 PolarHBondContact O-N 2.7Å
184Y92.4Very high92.5Very high48 Ų4843.4 Ų43.419%0.18822%0.22CC..Hα-helixtrans-60-51.3174.3-175.1-88.8000111.5L171 D180 K186 K187 H188 L195L171-Y184 HydrophobicContact CD2-CD1 3.65Å; L171-Y184 HydrophobicContact CD2-CE1 3.44Å; L171-Y184 VanDerWaalsContact CD2-CE1 3.44Å; L171-Y184 HydrophobicContact CD2-CG 4.29Å; D180-Y184 VanDerWaalsContact O-CB 3.31Å; D180-Y184 WeakPolarHBondContact O-CB 3.48Å; D180-Y184 PolarHBondContact O-N 3.33Å; Y184-K186 VanDerWaalsContact C-N 3.3Å; Y184-K186 PolarHBondContact O-N 3.09Å; Y184-K187 WeakPolarHBondContact O-CB 3.36Å; Y184-K187 PolarHBondContact O-N 2.92Å; Y184-K187 VanDerWaalsContact O-N 3.09Å; Y184-H188 AromaticContact CD1-CD2 3.98Å; Y184-H188 AromaticContact CE1-CD2 3.64Å; Y184-H188 AromaticContact CE2-CD2 3.82Å; Y184-H188 AromaticContact CE2-NE2 3.69Å; Y184-H188 AromaticContact CZ-CD2 3.56Å; Y184-H188 AromaticContact CZ-NE2 3.66Å; Y184-H188 PolarHBondContact O-CD2 3.42Å; Y184-H188 PolarHBondContact O-N 3Å; Y184-H188 VanDerWaalsContact O-N 3.11Å; Y184-L195 HydrophobicContact CD1-CD2 3.9Å; Y184-L195 HydrophobicContact CE1-CD2 4.24Å
185A92.2Very high92.6Very high0 Ų042.7 Ų42.70%021%0.212CC..Hα-helixtrans-61.7-37.3178.600000112.3I118 I181 K187 H188 N189 Y190 P192 L195I118-A185 HydrophobicContact CD1-CB 4.27Å; I181-A185 WeakPolarHBondContact O-CB 3.43Å; I181-A185 PolarHBondContact O-N 2.86Å; A185-K187 VanDerWaalsContact C-N 3.34Å; A185-K187 PolarHBondContact O-N 3.29Å; A185-H188 CarbonylContact O-C 3.59Å; A185-H188 PolarHBondContact O-N 3.02Å; A185-N189 CarbonylContact O-C 3.58Å; A185-N189 VanDerWaalsContact O-CA 3.25Å; A185-N189 WeakPolarHBondContact O-CA 3.27Å; A185-N189 PolarHBondContact O-N 3.19Å; A185-Y190 WeakPolarHBondContact CB-O 3.19Å; A185-Y190 PolarHBondContact O-N 3.08Å; A185-P192 HydrophobicContact CB-CB 4.01Å; A185-P192 HydrophobicContact CB-CG 3.55Å; A185-L195 HydrophobicContact CB-CD2 4.29Å
186K92.3Very high92.5Very high140 Ų14041.8 Ų41.861%0.60921%0.207SC*.Hα-helixtrans-66.7-34.5174.5-169.4-179.2179.1-172.40112.4I118 K182 T183 Y184I118-K186 HydrophobicContact CD1-CB 4.33Å; K182-K186 VanDerWaalsContact O-CB 3.22Å; K182-K186 WeakPolarHBondContact O-CB 3.43Å; K182-K186 PolarHBondContact O-N 2.86Å; T183-K186 PolarHBondContact O-N 3.22Å; Y184-K186 VanDerWaalsContact C-N 3.3Å; Y184-K186 PolarHBondContact O-N 3.09Å
187K92.5Very high92.3Very high171 Ų17141.7 Ų41.774%0.74321%0.206SC*.Hα-helixtrans-68.1-38.6177-175.5-177.7176.6-174.60112T183 Y184 A185T183-K187 PolarHBondContact O-N 2.7Å; Y184-K187 WeakPolarHBondContact O-CB 3.36Å; Y184-K187 PolarHBondContact O-N 2.92Å; Y184-K187 VanDerWaalsContact O-N 3.09Å; A185-K187 VanDerWaalsContact C-N 3.34Å; A185-K187 PolarHBondContact O-N 3.29Å
188H90.1Very high92.1Very high71 Ų7144.5 Ų44.533%0.32922%0.216SC..Hα-helixtrans-962.2179.6-68-79.6000113.9Y184 A185 Y190Y184-H188 AromaticContact CD1-CD2 3.98Å; Y184-H188 AromaticContact CE1-CD2 3.64Å; Y184-H188 AromaticContact CE2-CD2 3.82Å; Y184-H188 AromaticContact CE2-NE2 3.69Å; Y184-H188 AromaticContact CZ-CD2 3.56Å; Y184-H188 AromaticContact CZ-NE2 3.66Å; Y184-H188 PolarHBondContact O-CD2 3.42Å; Y184-H188 PolarHBondContact O-N 3Å; Y184-H188 VanDerWaalsContact O-N 3.11Å; A185-H188 CarbonylContact O-C 3.59Å; A185-H188 PolarHBondContact O-N 3.02Å; H188-Y190 HydrophobicContact CB-CD1 4.44Å; H188-Y190 HydrophobicContact CB-CD2 3.65Å; H188-Y190 HydrophobicContact CB-CE1 4.45Å; H188-Y190 HydrophobicContact CB-CE2 3.68Å; H188-Y190 HydrophobicContact CB-CG 4.04Å; H188-Y190 VanDerWaalsContact O-CD1 3.3Å; H188-Y190 WeakPolarHBondContact O-CD1 3.33Å; H188-Y190 WeakPolarHBondContact O-CE1 3.31Å; H188-Y190 PolarHBondContact O-N 3.01Å
189N91.7Very high92.1Very high66 Ų6644.2 Ų44.235%0.35322%0.215SC..THydrogen-bonded Turntrans53.232.1-172.7-63.9-40.9000114.8Y158 E161 A185Y158-N189 WeakPolarHBondContact CA-O 3.41Å; E161-N189 WeakPolarHBondContact OE2-CB 3.39Å; A185-N189 CarbonylContact O-C 3.58Å; A185-N189 VanDerWaalsContact O-CA 3.25Å; A185-N189 WeakPolarHBondContact O-CA 3.27Å; A185-N189 PolarHBondContact O-N 3.19Å
190Y93.9Very high92Very high18 Ų1841.7 Ų41.77%0.07119%0.193CC..  trans-90.7161.3175.3-62.2-23.6000112.4Y158 E161 F162 H165 A185 H188 P192Y158-Y190 CarbonylContact O-C 3.55Å; E161-Y190 HydrophobicContact CB-CD1 4.33Å; E161-Y190 WeakPolarHBondContact O-CE1 3.45Å; F162-Y190 HydrophobicContact CB-CD1 4.14Å; F162-Y190 HydrophobicContact CB-CG 4.26Å; F162-Y190 HydrophobicContact CD2-CD2 4.36Å; F162-Y190 HydrophobicContact CD2-CG 4.13Å; H165-Y190 HydrophobicContact CB-CE1 4.11Å; H165-Y190 VanDerWaalsContact CB-OH 3.32Å; H165-Y190 WeakPolarHBondContact CB-OH 3.44Å; H165-Y190 PolarHBondContact O-OH 3.36Å; A185-Y190 WeakPolarHBondContact CB-O 3.19Å; A185-Y190 PolarHBondContact O-N 3.08Å; H188-Y190 HydrophobicContact CB-CD1 4.44Å; H188-Y190 HydrophobicContact CB-CD2 3.65Å; H188-Y190 HydrophobicContact CB-CE1 4.45Å; H188-Y190 HydrophobicContact CB-CE2 3.68Å; H188-Y190 HydrophobicContact CB-CG 4.04Å; H188-Y190 VanDerWaalsContact O-CD1 3.3Å; H188-Y190 WeakPolarHBondContact O-CD1 3.33Å; H188-Y190 WeakPolarHBondContact O-CE1 3.31Å; H188-Y190 PolarHBondContact O-N 3.01Å; Y190-P192 WeakPolarHBondContact O-CD 3.23Å
191C93.3Very high91.7Very high13 Ų1341.5 Ų41.59%0.08820%0.196CC..  trans-80.6116.7171.8-175.20000110.3Y158 Y193 F194 L195Y158-C191 PolarHBondContact O-N 3.13Å; C191-Y193 VanDerWaalsContact C-N 3.29Å; C191-Y193 PolarHBondContact O-N 3.42Å; C191-F194 HydrophobicContact CB-CB 4.49Å; C191-F194 HydrophobicContact CB-CD2 4.31Å; C191-F194 PolarHBondContact O-N 2.94Å; C191-L195 VanDerWaalsContact O-CB 3.23Å; C191-L195 WeakPolarHBondContact O-CB 3.3Å; C191-L195 PolarHBondContact O-N 2.95Å
192P93.7Very high91.5Very high1 Ų144.7 Ų44.71%0.00621%0.209CC..Hα-helixtrans-59.9-37.5-175.9-20.829000113.4L116 I118 I181 K182 A185 Y190 T196L116-P192 HydrophobicContact CB-CB 4.4Å; L116-P192 WeakPolarHBondContact O-CB 3.31Å; L116-P192 VanDerWaalsContact O-CG 3.27Å; L116-P192 WeakPolarHBondContact O-CG 3.42Å; I118-P192 HydrophobicContact CD1-CG 3.21Å; I118-P192 HydrophobicContact CG1-CG 3.65Å; I181-P192 HydrophobicContact CG2-CB 3.94Å; K182-P192 HydrophobicContact CG-CB 4.47Å; K182-P192 HydrophobicContact CG-CG 4.31Å; A185-P192 HydrophobicContact CB-CB 4.01Å; A185-P192 HydrophobicContact CB-CG 3.55Å; Y190-P192 WeakPolarHBondContact O-CD 3.23Å; P192-T196 WeakPolarHBondContact O-CB 3.44Å; P192-T196 PolarHBondContact O-N 3.22Å; P192-T196 PolarHBondContact O-OG1 3.03Å
193Y92.3Very high91.5Very high25 Ų2541.6 Ų41.610%0.09820%0.196CC..Hα-helixtrans-65.6-50.9-177.5177.2-98.1000111.7L110 R113 L116 C191 T196 R197L110-Y193 HydrophobicContact CD1-CE2 4.5Å; R113-Y193 HydrophobicContact CG-CD1 4.13Å; R113-Y193 HydrophobicContact CG-CD2 3.75Å; R113-Y193 HydrophobicContact CG-CE1 4.09Å; R113-Y193 HydrophobicContact CG-CE2 3.68Å; R113-Y193 HydrophobicContact CG-CG 3.97Å; L116-Y193 HydrophobicContact CD1-CD2 4.26Å; C191-Y193 VanDerWaalsContact C-N 3.29Å; C191-Y193 PolarHBondContact O-N 3.42Å; Y193-T196 PolarHBondContact O-N 3.48Å; Y193-R197 WeakPolarHBondContact O-CB 3.46Å; Y193-R197 PolarHBondContact O-N 3.36Å
194F90Very high91.4Very high3 Ų339.4 Ų39.41%0.01318%0.18CC..Hα-helixtrans-71.7-33.6179.5-73.6-77.5000112.2T139 Y159 F162 C191 R197 Y198 T302T139-F194 HydrophobicContact CG2-CE2 4.39Å; Y159-F194 HydrophobicContact CD2-CB 4.15Å; Y159-F194 HydrophobicContact CD2-CD1 4.32Å; Y159-F194 AromaticContact CD2-CD2 3.25Å; Y159-F194 HydrophobicContact CD2-CD2 3.25Å; Y159-F194 AromaticContact CD2-CE2 3.56Å; Y159-F194 HydrophobicContact CD2-CE2 3.56Å; Y159-F194 AromaticContact CD2-CG 3.67Å; Y159-F194 HydrophobicContact CD2-CG 3.67Å; Y159-F194 HydrophobicContact CD2-CZ 4.23Å; Y159-F194 HydrophobicContact CE2-CB 4.15Å; Y159-F194 AromaticContact CE2-CD1 3.81Å; Y159-F194 HydrophobicContact CE2-CD1 3.81Å; Y159-F194 AromaticContact CE2-CD2 3.61Å; Y159-F194 HydrophobicContact CE2-CD2 3.61Å; Y159-F194 HydrophobicContact CE2-CE1 4.01Å; Y159-F194 AromaticContact CE2-CE2 3.82Å; Y159-F194 HydrophobicContact CE2-CE2 3.82Å; Y159-F194 AromaticContact CE2-CG 3.59Å; Y159-F194 HydrophobicContact CE2-CG 3.59Å; Y159-F194 HydrophobicContact CE2-CZ 4.01Å; Y159-F194 HydrophobicContact CG-CD2 4.31Å; Y159-F194 HydrophobicContact CG-CE2 4.36Å; F162-F194 HydrophobicContact CD1-CB 3.79Å; F162-F194 HydrophobicContact CE1-CB 3.73Å; C191-F194 HydrophobicContact CB-CB 4.49Å; C191-F194 HydrophobicContact CB-CD2 4.31Å; C191-F194 PolarHBondContact O-N 2.94Å; F194-R197 PolarHBondContact O-N 2.93Å; F194-Y198 WeakPolarHBondContact O-CB 3.21Å; F194-Y198 PolarHBondContact O-N 3.49Å; F194-T302 HydrophobicContact CE1-CG2 4.27Å; F194-T302 HydrophobicContact CZ-CG2 4.18Å
195L92.3Very high91.5Very high1 Ų137.2 Ų37.21%0.00517%0.172CC..Hα-helixtrans-58.5-49.7170.5177.964.8000111.7F162 L171 Y184 A185 C191 R197 Y198 A199F162-L195 HydrophobicContact CD2-CB 4.14Å; F162-L195 HydrophobicContact CD2-CD1 4.17Å; F162-L195 HydrophobicContact CE2-CB 3.88Å; F162-L195 HydrophobicContact CE2-CD1 3.61Å; F162-L195 HydrophobicContact CE2-CG 4.37Å; F162-L195 HydrophobicContact CZ-CB 4.48Å; L171-L195 HydrophobicContact CD1-CD1 4.49Å; L171-L195 HydrophobicContact CD1-CG 4.23Å; L171-L195 HydrophobicContact CD2-CD1 4.25Å; L171-L195 HydrophobicContact CD2-CD2 4.04Å; L171-L195 HydrophobicContact CD2-CG 4.3Å; L171-L195 HydrophobicContact CG-CD1 4.06Å; L171-L195 HydrophobicContact CG-CG 4.26Å; Y184-L195 HydrophobicContact CD1-CD2 3.9Å; Y184-L195 HydrophobicContact CE1-CD2 4.24Å; A185-L195 HydrophobicContact CB-CD2 4.29Å; C191-L195 VanDerWaalsContact O-CB 3.23Å; C191-L195 WeakPolarHBondContact O-CB 3.3Å; C191-L195 PolarHBondContact O-N 2.95Å; L195-R197 PolarHBondContact O-N 3.23Å; L195-Y198 PolarHBondContact O-N 2.89Å; L195-A199 WeakPolarHBondContact O-CB 3.32Å; L195-A199 PolarHBondContact O-N 3.11Å
196T92.1Very high91.6Very high0 Ų037.2 Ų37.20%017%0.172CC..Hα-helixtrans-62.5-44.4177.3-51.50000110.9I108 V109 L110 I181 P192 Y193 Y198 A199 I200I108-T196 HydrophobicContact CD1-CG2 4.36Å; V109-T196 WeakPolarHBondContact O-CG2 3.46Å; L110-T196 HydrophobicContact CB-CG2 4.31Å; L110-T196 HydrophobicContact CD1-CG2 3.92Å; I181-T196 HydrophobicContact CD1-CG2 4.06Å; I181-T196 WeakPolarHBondContact CG2-OG1 3.45Å; P192-T196 WeakPolarHBondContact O-CB 3.44Å; P192-T196 PolarHBondContact O-N 3.22Å; P192-T196 PolarHBondContact O-OG1 3.03Å; Y193-T196 PolarHBondContact O-N 3.48Å; T196-Y198 PolarHBondContact O-N 3.17Å; T196-A199 WeakPolarHBondContact O-CB 3.31Å; T196-A199 PolarHBondContact O-N 3.18Å; T196-A199 VanDerWaalsContact O-N 3.14Å; T196-I200 WeakPolarHBondContact O-CG1 3.26Å; T196-I200 PolarHBondContact O-N 3.42Å
197R88.8Confident91.8Very high30 Ų3030.5 Ų30.511%0.11314%0.143CC..Hα-helixtrans-60.9-44.2179.6-174.8179.3175.8-159.5-5.9111.9Y193 F194 L195 A199 I200 V221 E301Y193-R197 WeakPolarHBondContact O-CB 3.46Å; Y193-R197 PolarHBondContact O-N 3.36Å; F194-R197 PolarHBondContact O-N 2.93Å; L195-R197 PolarHBondContact O-N 3.23Å; R197-A199 VanDerWaalsContact C-N 3.32Å; R197-I200 WeakPolarHBondContact O-CB 3.47Å; R197-I200 PolarHBondContact O-N 2.77Å; R197-V221 PolarHBondContact NH2-O 2.85Å; R197-V221 VanDerWaalsContact NH2-O 3.15Å; R197-E301 PolarHBondContact NH1-O 3.05Å
198Y88.9Confident91.8Very high71 Ų7122.4 Ų22.428%0.27811%0.107SC..Hα-helixtrans-64.1-40.5174.6-177.9-112.8000111.2F162 R167 F194 L195 T196 I200 S201 Y202F162-Y198 HydrophobicContact CZ-CD1 4.32Å; F162-Y198 HydrophobicContact CZ-CG 4.2Å; R167-Y198 PolarHBondContact O-OH 2.9Å; F194-Y198 WeakPolarHBondContact O-CB 3.21Å; F194-Y198 PolarHBondContact O-N 3.49Å; L195-Y198 PolarHBondContact O-N 2.89Å; T196-Y198 PolarHBondContact O-N 3.17Å; Y198-I200 PolarHBondContact O-N 3.04Å; Y198-S201 WeakPolarHBondContact O-CB 3.5Å; Y198-S201 PolarHBondContact O-N 3Å; Y198-S201 VanDerWaalsContact O-N 3.16Å; Y198-S201 PolarHBondContact O-OG 3.38Å; Y198-Y202 AromaticContact CD1-CE1 3.8Å; Y198-Y202 HydrophobicContact CD1-CE1 3.8Å; Y198-Y202 AromaticContact CE1-CE1 3.76Å; Y198-Y202 HydrophobicContact CE1-CE1 3.76Å
199A91.5Very high91.9Very high0 Ų019.9 Ų19.90%010%0.098CC..Hα-helixtrans-62.5-24.5177.400000114.5I108 L171 L195 T196 R197 S201 Y202 A203I108-A199 HydrophobicContact CD1-CB 4.05Å; I108-A199 HydrophobicContact CG2-CB 4.48Å; L171-A199 HydrophobicContact CD1-CB 3.72Å; L171-A199 HydrophobicContact CG-CB 4.5Å; L195-A199 WeakPolarHBondContact O-CB 3.32Å; L195-A199 PolarHBondContact O-N 3.11Å; T196-A199 WeakPolarHBondContact O-CB 3.31Å; T196-A199 PolarHBondContact O-N 3.18Å; T196-A199 VanDerWaalsContact O-N 3.14Å; R197-A199 VanDerWaalsContact C-N 3.32Å; A199-S201 PolarHBondContact O-N 3.01Å; A199-Y202 VanDerWaalsContact CA-CZ 3.5Å; A199-Y202 HydrophobicContact CB-CE1 4.33Å; A199-Y202 HydrophobicContact CB-CE2 4.24Å; A199-Y202 PolarHBondContact O-N 2.98Å; A199-A203 WeakPolarHBondContact O-CB 3.5Å; A199-A203 PolarHBondContact O-N 3.2Å
200I90.2Very high91.9Very high5 Ų516.8 Ų16.83%0.0268%0.081CC..Hα-helixtrans-58.6-31.5175.1-68.8166.2000111.8K69 I108 L110 T196 R197 Y198 Y202 V206 V222 L226K69-I200 PolarHBondContact NZ-O 3.44Å; I108-I200 HydrophobicContact CD1-CB 4.26Å; I108-I200 HydrophobicContact CD1-CG1 3.53Å; L110-I200 HydrophobicContact CB-CD1 4.23Å; L110-I200 HydrophobicContact CD1-CD1 4.17Å; L110-I200 HydrophobicContact CD2-CD1 3.66Å; L110-I200 HydrophobicContact CG-CD1 4.22Å; T196-I200 WeakPolarHBondContact O-CG1 3.26Å; T196-I200 PolarHBondContact O-N 3.42Å; R197-I200 WeakPolarHBondContact O-CB 3.47Å; R197-I200 PolarHBondContact O-N 2.77Å; Y198-I200 PolarHBondContact O-N 3.04Å; I200-Y202 PolarHBondContact O-N 3.13Å; I200-V206 HydrophobicContact CG1-CG1 4.23Å; I200-V206 HydrophobicContact CG2-CG2 4.45Å; I200-V222 HydrophobicContact CD1-CG1 3.79Å; I200-L226 HydrophobicContact CG2-CD2 3.68Å
201S86.6Confident91.6Very high48 Ų4819.4 Ų19.434%0.3369%0.093SC..Hα-helixtrans-61.7-43.5-179.464.20000112.1K69 Y198 A199K69-S201 PolarHBondContact NZ-O 3.19Å; Y198-S201 WeakPolarHBondContact O-CB 3.5Å; Y198-S201 PolarHBondContact O-N 3Å; Y198-S201 VanDerWaalsContact O-N 3.16Å; Y198-S201 PolarHBondContact O-OG 3.38Å; A199-S201 PolarHBondContact O-N 3.01Å
202Y89.6Confident91.3Very high69 Ų6920.1 Ų20.127%0.2719%0.094SC..Hα-helixtrans-107.7-8.4-176.758.4-95.2000115.5L106 P170 L171 Y198 A199 I200L106-Y202 HydrophobicContact CD2-CD2 3.51Å; L106-Y202 HydrophobicContact CD2-CE2 3.3Å; P170-Y202 HydrophobicContact CB-CE1 4.19Å; P170-Y202 HydrophobicContact CB-CE2 3.9Å; L171-Y202 HydrophobicContact CB-CE2 4.41Å; L171-Y202 PolarHBondContact N-OH 2.96Å; Y198-Y202 AromaticContact CD1-CE1 3.8Å; Y198-Y202 HydrophobicContact CD1-CE1 3.8Å; Y198-Y202 AromaticContact CE1-CE1 3.76Å; Y198-Y202 HydrophobicContact CE1-CE1 3.76Å; A199-Y202 VanDerWaalsContact CA-CZ 3.5Å; A199-Y202 HydrophobicContact CB-CE1 4.33Å; A199-Y202 HydrophobicContact CB-CE2 4.24Å; A199-Y202 PolarHBondContact O-N 2.98Å; I200-Y202 PolarHBondContact O-N 3.13Å
203A92.2Very high91.1Very high1 Ų120.4 Ų20.41%0.00810%0.095CC..  trans-65.3141.9176.300000112.3K69 L106 I108 A199 V206K69-A203 WeakPolarHBondContact CE-O 3.28Å; L106-A203 HydrophobicContact CB-CB 4.49Å; L106-A203 HydrophobicContact CD2-CB 3.96Å; L106-A203 HydrophobicContact CG-CB 3.98Å; I108-A203 HydrophobicContact CD1-CB 3.65Å; I108-A203 HydrophobicContact CG1-CB 3.75Å; I108-A203 HydrophobicContact CG2-CB 4.37Å; A199-A203 WeakPolarHBondContact O-CB 3.5Å; A199-A203 PolarHBondContact O-N 3.2Å; A203-V206 HydrophobicContact CB-CG2 4.12Å
204N93.2Very high90.8Very high46 Ų4619.3 Ų19.325%0.2469%0.091CC..SBendtrans-82.4-37.5178-57.8107.3000111.6M60 K69 F70 L105 L106M60-N204 HydrophobicContact CE-CB 3.84Å; K69-N204 CarbonylContact C-O 3.6Å; K69-N204 WeakPolarHBondContact CA-O 3.32Å; F70-N204 PolarHBondContact N-O 3.18Å; L105-N204 HydrophobicContact CB-CB 4.13Å; L105-N204 HydrophobicContact CD2-CB 4.04Å; L106-N204 PolarHBondContact N-OD1 3.38Å; L106-N204 VanDerWaalsContact N-OD1 3.11Å; L106-N204 PolarHBondContact O-N 2.67Å
205I94.6Very high90.6Very high2 Ų220.1 Ų20.11%0.0110%0.096CC..EExtended strand (participates in β ladder)trans-122122.9-179.2-60.2169.6000108.8V57 F70 L87 L105 L106 G107 I108 V207V57-I205 HydrophobicContact CG2-CD1 3.88Å; F70-I205 HydrophobicContact CB-CG1 4.24Å; F70-I205 HydrophobicContact CD1-CG1 4.26Å; F70-I205 HydrophobicContact CD1-CG2 3.88Å; F70-I205 WeakPolarHBondContact O-CA 3.3Å; L87-I205 HydrophobicContact CD1-CD1 3.94Å; L87-I205 HydrophobicContact CD2-CB 4.39Å; L87-I205 HydrophobicContact CD2-CD1 3.97Å; L87-I205 HydrophobicContact CD2-CG2 3.9Å; L105-I205 HydrophobicContact CD1-CD1 4.29Å; L106-I205 PolarHBondContact O-N 2.82Å; G107-I205 WeakPolarHBondContact CA-O 3.26Å; I108-I205 PolarHBondContact N-O 3.46Å; I205-V207 HydrophobicContact CG2-CG2 4.24Å
206V94.4Very high89.9Confident0 Ų020.9 Ų20.90%010%0.101CC..EExtended strand (participates in β ladder)trans-122.7124.1180-174.70000109.3K69 F70 I71 Y72 I108 I200 A203 Y208K69-V206 HydrophobicContact CD-CG2 4.24Å; F70-V206 PolarHBondContact O-N 3.05Å; I71-V206 CarbonylContact C-O 3.46Å; I71-V206 WeakPolarHBondContact CA-O 3.48Å; Y72-V206 PolarHBondContact N-O 3.14Å; I108-V206 HydrophobicContact CD1-CG2 4.35Å; I108-V206 HydrophobicContact CG1-CG1 4.43Å; I108-V206 HydrophobicContact CG1-CG2 4.2Å; I200-V206 HydrophobicContact CG1-CG1 4.23Å; I200-V206 HydrophobicContact CG2-CG2 4.45Å; A203-V206 HydrophobicContact CB-CG2 4.12Å; V206-Y208 HydrophobicContact CB-CE1 4.5Å; V206-Y208 HydrophobicContact CG1-CD1 3.43Å; V206-Y208 VanDerWaalsContact CG1-CD1 3.43Å; V206-Y208 HydrophobicContact CG1-CE1 3.59Å
207V95.3Very high89.2Confident0 Ų023.1 Ų23.10%011%0.111CC..EExtended strand (participates in β ladder)trans-114.7118.3-179.6-174.70000109.3Y72 L80 V83 I84 I108 V109 L110 I205Y72-V207 HydrophobicContact CD1-CG1 4.19Å; Y72-V207 WeakPolarHBondContact O-CA 3.5Å; L80-V207 HydrophobicContact CB-CG1 4.13Å; L80-V207 HydrophobicContact CD2-CG1 3.66Å; L80-V207 HydrophobicContact CG-CG1 4.48Å; V83-V207 HydrophobicContact CB-CG1 4.24Å; V83-V207 HydrophobicContact CG1-CG1 4.07Å; V83-V207 HydrophobicContact CG1-CG2 4.07Å; I84-V207 HydrophobicContact CD1-CB 4.05Å; I84-V207 HydrophobicContact CD1-CG2 3.63Å; I84-V207 HydrophobicContact CG1-CB 4.43Å; I84-V207 HydrophobicContact CG1-CG2 4.36Å; I108-V207 PolarHBondContact O-N 3.04Å; V109-V207 CarbonylContact C-O 3.56Å; V109-V207 VanDerWaalsContact CA-O 3.29Å; V109-V207 WeakPolarHBondContact CA-O 3.43Å; V109-V207 HydrophobicContact CB-CB 4.5Å; L110-V207 PolarHBondContact N-O 3.28Å; I205-V207 HydrophobicContact CG2-CG2 4.24Å
208Y93.5Very high88.9Confident0 Ų024.4 Ų24.40%012%0.119CC..EExtended strand (participates in β ladder)trans-151.8175.9177.555.3-125000113.7I71 Y72 C73 S74 L80 V206 Y212 L213I71-Y208 HydrophobicContact CG2-CE1 4.11Å; I71-Y208 HydrophobicContact CG2-CE2 3.99Å; I71-Y208 WeakPolarHBondContact CG2-OH 3.43Å; Y72-Y208 PolarHBondContact O-N 3.07Å; C73-Y208 VanDerWaalsContact CA-O 3.3Å; C73-Y208 WeakPolarHBondContact CA-O 3.35Å; C73-Y208 VanDerWaalsContact SG-CE2 3.54Å; S74-Y208 PolarHBondContact N-O 2.92Å; S74-Y208 VanDerWaalsContact N-O 3.1Å; L80-Y208 VanDerWaalsContact CD2-C 3.42Å; L80-Y208 VanDerWaalsContact CD2-O 3.27Å; L80-Y208 WeakPolarHBondContact CD2-O 3.34Å; V206-Y208 HydrophobicContact CB-CE1 4.5Å; V206-Y208 HydrophobicContact CG1-CD1 3.43Å; V206-Y208 VanDerWaalsContact CG1-CD1 3.43Å; V206-Y208 HydrophobicContact CG1-CE1 3.59Å; Y208-Y212 HydrophobicContact CG-CG 4.44Å; Y208-L213 HydrophobicContact CE2-CB 3.97Å
209S92.1Very high88.5Confident18 Ų1821.7 Ų21.713%0.12611%0.111CC..EExtended strand (participates in β ladder)trans-76.1151.8178.6-177.90000113.1S74 R75 F211 Y212S74-S209 CarbonylContact O-C 3.58Å; S74-S209 VanDerWaalsContact O-CA 3.23Å; S74-S209 WeakPolarHBondContact O-CA 3.26Å; R75-S209 PolarHBondContact O-OG 3Å; S209-F211 PolarHBondContact O-N 3.11Å; S209-F211 VanDerWaalsContact O-N 3.07Å; S209-Y212 PolarHBondContact O-N 3.23Å
210Y91Very high87.7Confident2 Ų225 Ų251%0.00813%0.129CC..THydrogen-bonded Turntrans-44.7-41.8177.3-67.8-6.3000114.8C73 S74 R75 Y212 L213 L214 F234 D235 E236 A237 V243C73-Y210 HydrophobicContact CB-CD1 3.77Å; C73-Y210 HydrophobicContact CB-CE1 4.11Å; C73-Y210 WeakPolarHBondContact O-CE1 2.84Å; S74-Y210 VanDerWaalsContact O-CD1 3.23Å; S74-Y210 WeakPolarHBondContact O-CD1 3.41Å; S74-Y210 PolarHBondContact O-N 3.27Å; S74-Y210 VanDerWaalsContact O-N 3.1Å; R75-Y210 HydrophobicContact CB-CE2 4.2Å; R75-Y210 HydrophobicContact CG-CE2 4.44Å; Y210-Y212 PolarHBondContact O-N 3.18Å; Y210-L213 PolarHBondContact O-N 3Å; Y210-L214 PolarHBondContact O-N 3.18Å; Y210-F234 AromaticContact CD1-CD1 3.84Å; Y210-F234 HydrophobicContact CD1-CD1 3.84Å; Y210-F234 HydrophobicContact CD1-CE1 4.38Å; Y210-F234 HydrophobicContact CE1-CB 4.39Å; Y210-F234 AromaticContact CE1-CD1 3.87Å; Y210-F234 HydrophobicContact CE1-CD1 3.87Å; Y210-F234 HydrophobicContact CG-CD1 4.5Å; Y210-D235 PolarHBondContact OH-O 2.92Å; Y210-E236 PolarHBondContact OH-O 2.79Å; Y210-A237 WeakPolarHBondContact OH-CA 3.22Å; Y210-A237 PolarHBondContact OH-N 3.42Å; Y210-A237 VanDerWaalsContact OH-N 3.14Å; Y210-V243 HydrophobicContact CD2-CG1 4.31Å; Y210-V243 HydrophobicContact CD2-CG2 4.06Å
211F88Confident86.9Confident73 Ų7326.3 Ų26.332%0.3214%0.137SC..Hα-helixtrans-60.8-27.5-176.6-64.7-74.4000113.5S209 L213 D215 I218 V243S209-F211 PolarHBondContact O-N 3.11Å; S209-F211 VanDerWaalsContact O-N 3.07Å; F211-L213 PolarHBondContact O-N 3.15Å; F211-D215 WeakPolarHBondContact O-CB 3.35Å; F211-D215 PolarHBondContact O-N 3.25Å; F211-D215 VanDerWaalsContact O-N 3.1Å; F211-I218 HydrophobicContact CB-CD1 4.48Å; F211-V243 HydrophobicContact CD1-CG1 4.24Å; F211-V243 HydrophobicContact CE1-CG1 3.91Å; F211-V243 HydrophobicContact CZ-CG1 4.26Å
212Y88Confident86.4Confident28 Ų2824.5 Ų24.511%0.1112%0.124CC..Hα-helixtrans-69-17.6177.2-74.7-86.5000113.5L110 S111 S112 Y208 S209 Y210 I218 A219 V222 S223L110-Y212 HydrophobicContact CD2-CD1 3.56Å; L110-Y212 HydrophobicContact CD2-CE1 3.54Å; L110-Y212 HydrophobicContact CD2-CG 4.18Å; L110-Y212 HydrophobicContact CG-CE1 4.18Å; S111-Y212 PolarHBondContact O-OH 2.91Å; S112-Y212 WeakPolarHBondContact CA-OH 3.41Å; S112-Y212 PolarHBondContact N-OH 3.34Å; Y208-Y212 HydrophobicContact CG-CG 4.44Å; S209-Y212 PolarHBondContact O-N 3.23Å; Y210-Y212 PolarHBondContact O-N 3.18Å; Y212-I218 HydrophobicContact CD1-CG2 3.48Å; Y212-I218 VanDerWaalsContact CD1-CG2 3.48Å; Y212-I218 HydrophobicContact CE1-CG2 3.96Å; Y212-I218 HydrophobicContact CG-CG2 4.15Å; Y212-A219 WeakPolarHBondContact O-CA 3.31Å; Y212-V222 HydrophobicContact CD1-CG1 4.49Å; Y212-V222 HydrophobicContact CD1-CG2 4.08Å; Y212-V222 HydrophobicContact CE1-CG2 4.49Å; Y212-S223 PolarHBondContact O-OG 2.9Å
213L88Confident85.6Confident6 Ų621.2 Ų21.23%0.03111%0.111CC..Hα-helixtrans-110.6-40.5178.8-164.659.3000112.7Y208 Y210 F211 A219 V232 F234 I448 F452Y208-L213 HydrophobicContact CE2-CB 3.97Å; Y210-L213 PolarHBondContact O-N 3Å; F211-L213 PolarHBondContact O-N 3.15Å; L213-A219 VanDerWaalsContact O-CB 3.29Å; L213-A219 WeakPolarHBondContact O-CB 3.49Å; L213-V232 HydrophobicContact CD2-CG1 3.6Å; L213-V232 HydrophobicContact CD2-CG2 4.32Å; L213-F234 HydrophobicContact CD2-CE1 4.31Å; L213-F234 HydrophobicContact CD2-CZ 3.82Å; L213-I448 HydrophobicContact CD1-CG1 4.48Å; L213-I448 HydrophobicContact CD2-CD1 4.39Å; L213-I448 HydrophobicContact CD2-CG2 4.08Å; L213-I448 HydrophobicContact CG-CD1 3.8Å; L213-I448 HydrophobicContact CG-CG1 4.1Å; L213-I448 HydrophobicContact CG-CG2 4.39Å; L213-I448 WeakPolarHBondContact O-CD1 3.5Å; L213-F452 HydrophobicContact CD1-CE2 3.91Å; L213-F452 HydrophobicContact CD1-CZ 4.18Å
214L87.6Confident84.8Confident2 Ų228 Ų281%0.0114%0.136CC..Hα-helixtrans-86.7-30-175.5-67.6171000114.1Y210 P216 F234 I240 V243 I445 I448Y210-L214 PolarHBondContact O-N 3.18Å; L214-P216 VanDerWaalsContact O-CD 3.24Å; L214-P216 WeakPolarHBondContact O-CD 3.45Å; L214-F234 HydrophobicContact CD1-CE1 4.13Å; L214-F234 HydrophobicContact CD2-CZ 4.22Å; L214-F234 HydrophobicContact CG-CE1 4.19Å; L214-F234 HydrophobicContact CG-CZ 4.33Å; L214-I240 HydrophobicContact CD1-CG1 4.24Å; L214-V243 HydrophobicContact CD1-CB 4.41Å; L214-V243 HydrophobicContact CD1-CG1 3.81Å; L214-I445 HydrophobicContact CD2-CB 4.33Å; L214-I445 HydrophobicContact CD2-CG1 4.24Å; L214-I448 HydrophobicContact CD2-CD1 3.38Å; L214-I448 HydrophobicContact CG-CD1 4.18Å
215D84Confident83.8Confident20 Ų2032.3 Ų32.311%0.10716%0.155CC..  trans-78113.7175.8-172.7-21000108.9F211 K217 I218 A219F211-D215 WeakPolarHBondContact O-CB 3.35Å; F211-D215 PolarHBondContact O-N 3.25Å; F211-D215 VanDerWaalsContact O-N 3.1Å; D215-K217 PolarHBondContact O-N 3.46Å; D215-K217 VanDerWaalsContact O-N 3.13Å; D215-K217 VanDerWaalsContact OD1-CB 3.23Å; D215-K217 WeakPolarHBondContact OD1-CB 3.33Å; D215-K217 WeakPolarHBondContact OD1-CG 3.25Å; D215-K217 PolarHBondContact OD1-N 3.01Å; D215-I218 HydrophobicContact CB-CB 4.4Å; D215-I218 HydrophobicContact CB-CD1 4.26Å; D215-I218 HydrophobicContact CB-CG1 4.24Å; D215-I218 PolarHBondContact O-N 3.43Å; D215-A219 VanDerWaalsContact O-CB 3.25Å; D215-A219 WeakPolarHBondContact O-CB 3.35Å; D215-A219 PolarHBondContact O-N 3.36Å
216P78.8Confident83.3Confident18 Ų1832.4 Ų32.412%0.11716%0.156CC..Hα-helixtrans-62.5-23.9-178.426-35.4000113.4L214 N220 M248 A310L214-P216 VanDerWaalsContact O-CD 3.24Å; L214-P216 WeakPolarHBondContact O-CD 3.45Å; P216-N220 WeakPolarHBondContact O-CB 3.4Å; P216-N220 VanDerWaalsContact O-CG 3.3Å; P216-N220 PolarHBondContact O-N 3.01Å; P216-N220 PolarHBondContact O-ND2 2.55Å; P216-M248 HydrophobicContact CG-SD 3.58Å; P216-M248 VanDerWaalsContact CG-SD 3.58Å; P216-A310 HydrophobicContact CB-CB 3.5Å; P216-A310 HydrophobicContact CG-CB 3.82Å
217K77.5Confident82.9Confident47 Ų4733.8 Ų33.820%0.20417%0.165CC..Hα-helixtrans-63.6-47174.2-58.7165.4-169149.30109D215 A307D215-K217 PolarHBondContact O-N 3.46Å; D215-K217 VanDerWaalsContact O-N 3.13Å; D215-K217 VanDerWaalsContact OD1-CB 3.23Å; D215-K217 WeakPolarHBondContact OD1-CB 3.33Å; D215-K217 WeakPolarHBondContact OD1-CG 3.25Å; D215-K217 PolarHBondContact OD1-N 3.01Å; K217-A307 HydrophobicContact CB-CB 4.02Å; K217-A307 WeakPolarHBondContact O-CB 3.42Å
218I81.3Confident82.5Confident56 Ų5641 Ų4129%0.28720%0.196SC..Hα-helixtrans-84.3-40.4-174.9-53.1175.5000111.2F211 Y212 D215 N220 V221 V222F211-I218 HydrophobicContact CB-CD1 4.48Å; Y212-I218 HydrophobicContact CD1-CG2 3.48Å; Y212-I218 VanDerWaalsContact CD1-CG2 3.48Å; Y212-I218 HydrophobicContact CE1-CG2 3.96Å; Y212-I218 HydrophobicContact CG-CG2 4.15Å; D215-I218 HydrophobicContact CB-CB 4.4Å; D215-I218 HydrophobicContact CB-CD1 4.26Å; D215-I218 HydrophobicContact CB-CG1 4.24Å; D215-I218 PolarHBondContact O-N 3.43Å; I218-N220 VanDerWaalsContact C-N 3.28Å; I218-N220 PolarHBondContact O-N 3.07Å; I218-V221 WeakPolarHBondContact O-CB 3.3Å; I218-V221 PolarHBondContact O-N 3.08Å; I218-V222 HydrophobicContact CG2-CG2 4.31Å; I218-V222 PolarHBondContact O-N 3.46Å; I218-V222 VanDerWaalsContact O-N 3.12Å
219A80.7Confident82.3Confident14 Ų1444.2 Ų44.212%0.11621%0.213CC..Hα-helixtrans-60.9-34.8-17700000112.8Y212 L213 D215 V221 S223 R224Y212-A219 WeakPolarHBondContact O-CA 3.31Å; L213-A219 VanDerWaalsContact O-CB 3.29Å; L213-A219 WeakPolarHBondContact O-CB 3.49Å; D215-A219 VanDerWaalsContact O-CB 3.25Å; D215-A219 WeakPolarHBondContact O-CB 3.35Å; D215-A219 PolarHBondContact O-N 3.36Å; A219-V221 PolarHBondContact O-N 3.37Å; A219-S223 CarbonylContact O-C 3.6Å; A219-S223 VanDerWaalsContact O-CA 3.3Å; A219-S223 WeakPolarHBondContact O-CA 3.45Å; A219-S223 VanDerWaalsContact O-CB 3.29Å; A219-S223 WeakPolarHBondContact O-CB 3.07Å; A219-S223 PolarHBondContact O-N 3.33Å; A219-R224 PolarHBondContact O-N 2.75Å
220N74.6Confident82.3Confident71 Ų7143.3 Ų43.338%0.3821%0.207SC..Hα-helixtrans-65.5-22.6175.2-79.7-26.1000113.6P216 I218 R224P216-N220 WeakPolarHBondContact O-CB 3.4Å; P216-N220 VanDerWaalsContact O-CG 3.3Å; P216-N220 PolarHBondContact O-N 3.01Å; P216-N220 PolarHBondContact O-ND2 2.55Å; I218-N220 VanDerWaalsContact C-N 3.28Å; I218-N220 PolarHBondContact O-N 3.07Å; N220-R224 VanDerWaalsContact O-CB 3.28Å; N220-R224 WeakPolarHBondContact O-CB 3.35Å
221V73.8Confident82.4Confident31 Ų3143.4 Ų43.419%0.18821%0.208CC..Hα-helixtrans-95.5-33.1-175.3178.90000112.2R197 I218 A219 L304 A307R197-V221 PolarHBondContact NH2-O 2.85Å; R197-V221 VanDerWaalsContact NH2-O 3.15Å; I218-V221 WeakPolarHBondContact O-CB 3.3Å; I218-V221 PolarHBondContact O-N 3.08Å; A219-V221 PolarHBondContact O-N 3.37Å; V221-L304 HydrophobicContact CG1-CB 4.43Å; V221-A307 HydrophobicContact CG2-CB 3.89Å
222V76.9Confident82.7Confident10 Ų1039.9 Ų39.96%0.06119%0.192CC..Hα-helixtrans-108.8-45.8-174.9179.10000111.6L110 I200 Y212 I218L110-V222 HydrophobicContact CD2-CG1 3.77Å; L110-V222 HydrophobicContact CD2-CG2 4.49Å; I200-V222 HydrophobicContact CD1-CG1 3.79Å; Y212-V222 HydrophobicContact CD1-CG1 4.49Å; Y212-V222 HydrophobicContact CD1-CG2 4.08Å; Y212-V222 HydrophobicContact CE1-CG2 4.49Å; I218-V222 HydrophobicContact CG2-CG2 4.31Å; I218-V222 PolarHBondContact O-N 3.46Å; I218-V222 VanDerWaalsContact O-N 3.12Å
223S72.9Confident83.1Confident1 Ų138.6 Ų38.61%0.00719%0.187CC..THydrogen-bonded Turntrans-92.9-6.4-168.2-56.70000112.9Y212 A219 E225 L226 R451Y212-S223 PolarHBondContact O-OG 2.9Å; A219-S223 CarbonylContact O-C 3.6Å; A219-S223 VanDerWaalsContact O-CA 3.3Å; A219-S223 WeakPolarHBondContact O-CA 3.45Å; A219-S223 VanDerWaalsContact O-CB 3.29Å; A219-S223 WeakPolarHBondContact O-CB 3.07Å; A219-S223 PolarHBondContact O-N 3.33Å; S223-E225 VanDerWaalsContact C-N 3.28Å; S223-E225 PolarHBondContact O-N 3.38Å; S223-L226 PolarHBondContact O-N 2.77Å; S223-R451 PolarHBondContact O-NH1 3.15Å; S223-R451 PolarHBondContact O-NH2 3.48Å
224R73.8Confident83.4Confident142 Ų14238.3 Ų38.354%0.53619%0.186SC..THydrogen-bonded Turntrans-64.6-29-179.2-170.7172.5179.1-147.6-8.5113.5A219 N220 R451A219-R224 PolarHBondContact O-N 2.75Å; N220-R224 VanDerWaalsContact O-CB 3.28Å; N220-R224 WeakPolarHBondContact O-CB 3.35Å; R224-R451 VanDerWaalsContact C-NH2 3.27Å; R224-R451 PolarHBondContact O-NH2 3.27Å
225E72.8Confident83.6Confident137 Ų13738.8 Ų38.864%0.6419%0.188SC*.THydrogen-bonded Turntrans-89-4.1-178.6-63-178.217400113.9S223S223-E225 VanDerWaalsContact C-N 3.28Å; S223-E225 PolarHBondContact O-N 3.38Å
226L84.3Confident83.8Confident5 Ų539.3 Ų39.33%0.02619%0.19CC..SBendtrans-70.7137.6-176.9-57.8174.5000111.3K69 I71 I200 S223 R451 F452K69-L226 HydrophobicContact CD-CD2 3.68Å; I71-L226 HydrophobicContact CD1-CD1 3.67Å; I71-L226 HydrophobicContact CG1-CD1 4.44Å; I200-L226 HydrophobicContact CG2-CD2 3.68Å; S223-L226 PolarHBondContact O-N 2.77Å; L226-R451 PolarHBondContact O-NH2 3.35Å; L226-F452 HydrophobicContact CB-CE1 4.2Å; L226-F452 HydrophobicContact CB-CZ 4.44Å; L226-F452 HydrophobicContact CD1-CZ 4.39Å
227P86.5Confident84.3Confident29 Ų2938.5 Ų38.519%0.18819%0.185CC..  trans-64.8150.2179.724-29.3000111.2E68 K69 N229 S230E68-P227 HydrophobicContact CB-CB 4.47Å; E68-P227 HydrophobicContact CB-CG 4.06Å; E68-P227 WeakPolarHBondContact OE2-CB 3.48Å; K69-P227 HydrophobicContact CB-CG 3.99Å; P227-N229 PolarHBondContact O-N 2.97Å; P227-S230 WeakPolarHBondContact CG-OG 2.99Å; P227-S230 PolarHBondContact O-OG 3.01Å
228K86.2Confident84.8Confident151 Ų15136.3 Ų36.366%0.65718%0.175SC*.SBendtrans-65.1-32.1176.4-66.1-176.5179.7-178.70111.9S230 R451 T453K228-S230 PolarHBondContact O-N 3.46Å; K228-R451 HydrophobicContact CG-CG 4.46Å; K228-T453 PolarHBondContact O-N 3.4Å; K228-T453 PolarHBondContact O-OG1 2.91Å
229N89.4Confident85.1Confident67 Ų6733.8 Ų33.836%0.35816%0.163SC..SBendtrans-76.845.2175.9-59.8-18.8000112E68 P227E68-N229 HydrophobicContact CG-CB 4.25Å; E68-N229 PolarHBondContact N-O 3.37Å; E68-N229 PolarHBondContact OE1-ND2 2.96Å; P227-N229 PolarHBondContact O-N 2.97Å
230S92Very high85.6Confident0 Ų033.1 Ų33.10%016%0.157CC..EExtended strand (participates in β ladder)trans-109.4147.5176-50.20000110.8K69 P227 K228K69-S230 WeakPolarHBondContact O-CA 3.35Å; K69-S230 WeakPolarHBondContact O-CB 3.31Å; P227-S230 WeakPolarHBondContact CG-OG 2.99Å; P227-S230 PolarHBondContact O-OG 3.01Å; K228-S230 PolarHBondContact O-N 3.46Å
231V93.6Very high86.4Confident3 Ų330 Ų302%0.01814%0.14CC..EExtended strand (participates in β ladder)trans-100.3123.6170.5176.80000108.5I32 I56 V67 K69 F70 I71 I456I32-V231 HydrophobicContact CG2-CG2 4.47Å; I56-V231 HydrophobicContact CD1-CG1 4.24Å; V67-V231 HydrophobicContact CB-CG2 4.35Å; V67-V231 HydrophobicContact CG1-CB 4.25Å; V67-V231 HydrophobicContact CG1-CG2 3.72Å; V67-V231 HydrophobicContact CG2-CG2 3.65Å; K69-V231 PolarHBondContact O-N 3.09Å; F70-V231 HydrophobicContact CD2-CB 4.23Å; F70-V231 HydrophobicContact CD2-CG1 4.26Å; F70-V231 WeakPolarHBondContact CD2-O 3.13Å; F70-V231 HydrophobicContact CE2-CG1 4.37Å; I71-V231 PolarHBondContact N-O 2.78Å; V231-I456 HydrophobicContact CG1-CD1 3.63Å
232V94.8Very high87.2Confident0 Ų030.7 Ų30.70%014%0.143CC..EExtended strand (participates in β ladder)trans-105.7131.5178-179.30000109.6I71 L213 F234 F452 S454 V455 I456I71-V232 HydrophobicContact CB-CG2 4.17Å; I71-V232 HydrophobicContact CD1-CG2 3.93Å; I71-V232 HydrophobicContact CG2-CG1 4.47Å; I71-V232 HydrophobicContact CG2-CG2 4.5Å; I71-V232 CarbonylContact O-C 3.59Å; I71-V232 WeakPolarHBondContact O-CA 3.26Å; L213-V232 HydrophobicContact CD2-CG1 3.6Å; L213-V232 HydrophobicContact CD2-CG2 4.32Å; V232-F234 HydrophobicContact CG1-CD2 4.24Å; V232-F234 HydrophobicContact CG1-CE2 3.87Å; V232-F234 HydrophobicContact CG1-CZ 4.19Å; V232-F452 HydrophobicContact CG2-CB 4.08Å; V232-F452 HydrophobicContact CG2-CD1 4.06Å; V232-F452 HydrophobicContact CG2-CD2 3.6Å; V232-F452 HydrophobicContact CG2-CE1 4.38Å; V232-F452 HydrophobicContact CG2-CE2 3.98Å; V232-F452 HydrophobicContact CG2-CG 3.63Å; V232-F452 HydrophobicContact CG2-CZ 4.34Å; V232-S454 PolarHBondContact N-O 3.35Å; V232-V455 HydrophobicContact CB-CG1 4.41Å; V232-V455 HydrophobicContact CB-CG2 4.31Å; V232-V455 HydrophobicContact CG1-CG1 4.48Å; V232-V455 CarbonylContact O-C 3.45Å; V232-V455 WeakPolarHBondContact O-CA 3.46Å; V232-I456 PolarHBondContact O-N 3.39Å
233V95.1Very high87.9Confident0 Ų030.5 Ų30.50%014%0.142CC..EExtended strand (participates in β ladder)trans-117.7125.3172.4167.90000109.1L52 F70 I71 Y72 C73 I456 T458L52-V233 HydrophobicContact CD1-CB 4.3Å; L52-V233 HydrophobicContact CD1-CG1 3.55Å; L52-V233 HydrophobicContact CD1-CG2 3.8Å; L52-V233 HydrophobicContact CD2-CG1 4.47Å; L52-V233 HydrophobicContact CD2-CG2 4.07Å; L52-V233 HydrophobicContact CG-CG2 4.42Å; F70-V233 HydrophobicContact CE2-CB 4.1Å; F70-V233 HydrophobicContact CE2-CG2 3.53Å; F70-V233 HydrophobicContact CZ-CB 4.13Å; F70-V233 HydrophobicContact CZ-CG2 3.87Å; I71-V233 PolarHBondContact O-N 3.21Å; Y72-V233 HydrophobicContact CD2-CB 4.45Å; Y72-V233 HydrophobicContact CD2-CG1 4.2Å; Y72-V233 HydrophobicContact CE2-CG1 4.14Å; C73-V233 WeakPolarHBondContact CA-O 3.35Å; C73-V233 WeakPolarHBondContact CB-O 3.42Å; C73-V233 PolarHBondContact N-O 2.91Å; V233-I456 CarbonylContact C-O 3.46Å; V233-I456 WeakPolarHBondContact CA-O 3.24Å; V233-I456 HydrophobicContact CG2-CB 3.97Å; V233-I456 HydrophobicContact CG2-CD1 3.86Å; V233-I456 HydrophobicContact CG2-CG2 4.42Å; V233-T458 HydrophobicContact CG1-CG2 4.18Å
234F94.7Very high88.8Confident0 Ų030.4 Ų30.40%014%0.141CC..EExtended strand (participates in β ladder)trans-98.9106.4164.4-67.1-78.9000108.4C73 Y210 L213 L214 V232 A237 I240 V455 I456 I457 T458C73-F234 HydrophobicContact CB-CD1 3.62Å; C73-F234 HydrophobicContact CB-CE1 3.93Å; C73-F234 HydrophobicContact CB-CG 4.41Å; Y210-F234 AromaticContact CD1-CD1 3.84Å; Y210-F234 HydrophobicContact CD1-CD1 3.84Å; Y210-F234 HydrophobicContact CD1-CE1 4.38Å; Y210-F234 HydrophobicContact CE1-CB 4.39Å; Y210-F234 AromaticContact CE1-CD1 3.87Å; Y210-F234 HydrophobicContact CE1-CD1 3.87Å; Y210-F234 HydrophobicContact CG-CD1 4.5Å; L213-F234 HydrophobicContact CD2-CE1 4.31Å; L213-F234 HydrophobicContact CD2-CZ 3.82Å; L214-F234 HydrophobicContact CD1-CE1 4.13Å; L214-F234 HydrophobicContact CD2-CZ 4.22Å; L214-F234 HydrophobicContact CG-CE1 4.19Å; L214-F234 HydrophobicContact CG-CZ 4.33Å; V232-F234 HydrophobicContact CG1-CD2 4.24Å; V232-F234 HydrophobicContact CG1-CE2 3.87Å; V232-F234 HydrophobicContact CG1-CZ 4.19Å; F234-A237 HydrophobicContact CB-CB 3.81Å; F234-I240 HydrophobicContact CB-CD1 4.43Å; F234-I240 HydrophobicContact CD1-CD1 4.3Å; F234-I240 HydrophobicContact CD2-CD1 4.1Å; F234-I240 HydrophobicContact CE2-CD1 4.41Å; F234-I240 HydrophobicContact CG-CD1 4.04Å; F234-V455 HydrophobicContact CD2-CG1 3.82Å; F234-V455 HydrophobicContact CE2-CG1 3.71Å; F234-I456 PolarHBondContact N-O 2.74Å; F234-I457 HydrophobicContact CD2-CG1 4.46Å; F234-T458 PolarHBondContact O-N 3.39Å; F234-T458 VanDerWaalsContact O-O 3.09Å
235D92.2Very high89.6Confident12 Ų1223.9 Ų23.96%0.06412%0.117CC..EExtended strand (participates in β ladder)trans-92.8143.3174.5-175.639.2000111.5Y72 C73 Y210 A237 T458Y72-D235 HydrophobicContact CE1-CB 3.8Å; Y72-D235 HydrophobicContact CE2-CB 4.34Å; Y72-D235 WeakPolarHBondContact OH-CB 3.29Å; Y72-D235 PolarHBondContact OH-OD2 3.01Å; C73-D235 PolarHBondContact O-N 3.35Å; Y210-D235 PolarHBondContact OH-O 2.92Å; D235-A237 VanDerWaalsContact C-N 3.28Å; D235-A237 PolarHBondContact O-N 3.29Å; D235-T458 CarbonylContact C-O 3.41Å; D235-T458 HydrophobicContact CB-CG2 4.25Å
236E88.3Confident90.4Very high32 Ų3223.4 Ų23.415%0.1511%0.114CC..THydrogen-bonded Turntrans56.636.7-169.6-66-57.3152.400114.6K48 Y210 H238 T458 S459K48-E236 WeakPolarHBondContact CE-OE1 3.32Å; K48-E236 IonicContact NZ-OE1 2.73Å; K48-E236 PolarHBondContact NZ-OE1 3.11Å; Y210-E236 PolarHBondContact OH-O 2.79Å; E236-H238 PolarHBondContact O-CE1 2.74Å; E236-H238 PolarHBondContact O-N 3.48Å; E236-H238 PolarHBondContact O-ND1 3.09Å; E236-H238 IonicContact OE2-ND1 3.54Å; E236-T458 PolarHBondContact N-O 3.31Å; E236-S459 PolarHBondContact OE2-OG 3.47Å
237A89.8Confident90.4Very high0 Ų023.4 Ų23.40%012%0.115CC..G310 helixtrans-7425-173.400000116.3Y210 F234 D235 N239 I240 I457 T458Y210-A237 WeakPolarHBondContact OH-CA 3.22Å; Y210-A237 PolarHBondContact OH-N 3.42Å; Y210-A237 VanDerWaalsContact OH-N 3.14Å; F234-A237 HydrophobicContact CB-CB 3.81Å; D235-A237 VanDerWaalsContact C-N 3.28Å; D235-A237 PolarHBondContact O-N 3.29Å; A237-N239 VanDerWaalsContact C-N 3.32Å; A237-N239 PolarHBondContact O-N 2.9Å; A237-I240 HydrophobicContact CB-CB 4.42Å; A237-I240 WeakPolarHBondContact O-CG2 3.35Å; A237-I240 PolarHBondContact O-N 2.88Å; A237-I457 HydrophobicContact CB-CG2 3.61Å; A237-T458 PolarHBondContact N-O 3.03Å; A237-T458 VanDerWaalsContact N-O 3.14Å
238H87.7Confident90.5Very high2 Ų222.2 Ų22.21%0.00911%0.107CC..G310 helixtrans-63.2-37.7178.557.4-84.8000111.4E236 L462 Y468 R659 Q663E236-H238 PolarHBondContact O-CE1 2.74Å; E236-H238 PolarHBondContact O-N 3.48Å; E236-H238 PolarHBondContact O-ND1 3.09Å; E236-H238 IonicContact OE2-ND1 3.54Å; H238-L462 HydrophobicContact CB-CD2 4.38Å; H238-Y468 PolarHBondContact O-OH 3.33Å; H238-R659 HydrophobicContact CB-CG 4.1Å; H238-R659 WeakPolarHBondContact O-CD 3.47Å; H238-R659 PolarHBondContact O-NH1 2.85Å; H238-Q663 PolarHBondContact CD2-OE1 3.41Å; H238-Q663 PolarHBondContact CE1-NE2 2.87Å; H238-Q663 PolarHBondContact NE2-NE2 3.15Å; H238-Q663 PolarHBondContact NE2-OE1 3.16Å; H238-Q663 VanDerWaalsContact NE2-OE1 3.14Å
239N87.4Confident90.7Very high3 Ų316.2 Ų16.22%0.0168%0.084CC..G310 helixtrans-98.621-178.7-77.5-10.9000114.6R75 A237 D241 N242 V243 R659R75-N239 PolarHBondContact NH1-ND2 3.1Å; A237-N239 VanDerWaalsContact C-N 3.32Å; A237-N239 PolarHBondContact O-N 2.9Å; N239-D241 VanDerWaalsContact C-N 3.25Å; N239-D241 PolarHBondContact O-N 3Å; N239-N242 PolarHBondContact O-N 3.41Å; N239-N242 VanDerWaalsContact O-N 3.13Å; N239-V243 WeakPolarHBondContact O-CG2 3.37Å; N239-V243 PolarHBondContact O-N 3Å; N239-V243 VanDerWaalsContact O-N 3.17Å; N239-R659 PolarHBondContact OD1-NE 2.93Å
240I91.3Very high90.8Very high0 Ų013.4 Ų13.40%07%0.07CC..Hα-helixtrans-58-36.4-176-167.7168000113.1L214 F234 A237 V243 C244 I445 I457 Y468 L472L214-I240 HydrophobicContact CD1-CG1 4.24Å; F234-I240 HydrophobicContact CB-CD1 4.43Å; F234-I240 HydrophobicContact CD1-CD1 4.3Å; F234-I240 HydrophobicContact CD2-CD1 4.1Å; F234-I240 HydrophobicContact CE2-CD1 4.41Å; F234-I240 HydrophobicContact CG-CD1 4.04Å; A237-I240 HydrophobicContact CB-CB 4.42Å; A237-I240 WeakPolarHBondContact O-CG2 3.35Å; A237-I240 PolarHBondContact O-N 2.88Å; I240-V243 PolarHBondContact O-N 2.87Å; I240-C244 PolarHBondContact O-N 2.85Å; I240-C244 PolarHBondContact O-SG 2.87Å; I240-C244 VanDerWaalsContact O-SG 3.34Å; I240-I445 HydrophobicContact CD1-CD1 3.79Å; I240-I445 HydrophobicContact CG1-CD1 4.47Å; I240-I457 HydrophobicContact CD1-CD1 4.34Å; I240-Y468 HydrophobicContact CG2-CD1 4.35Å; I240-Y468 HydrophobicContact CG2-CE1 4.5Å; I240-L472 HydrophobicContact CG2-CD1 3.82Å; I240-L472 HydrophobicContact CG2-CD2 4.45Å
241D91.9Very high90.8Very high4 Ų417.5 Ų17.52%0.0219%0.091CC..Hα-helixtrans-63.6-41.6177.464.6-38.3000112.3N239 V243 C244 I245 A441 I471 R637 R659N239-D241 VanDerWaalsContact C-N 3.25Å; N239-D241 PolarHBondContact O-N 3Å; D241-V243 VanDerWaalsContact C-N 3.34Å; D241-C244 PolarHBondContact O-N 2.83Å; D241-I245 WeakPolarHBondContact O-CB 3.35Å; D241-I245 WeakPolarHBondContact O-CD1 3.38Å; D241-I245 VanDerWaalsContact O-CG1 3.32Å; D241-I245 WeakPolarHBondContact O-CG1 3.32Å; D241-I245 PolarHBondContact O-N 3.24Å; D241-A441 HydrophobicContact CB-CB 3.96Å; D241-I471 HydrophobicContact CB-CG2 4.12Å; D241-R637 IonicContact OD2-CZ 3.74Å; D241-R637 IonicContact OD2-NH1 3.97Å; D241-R637 IonicContact OD2-NH2 3.26Å; D241-R637 PolarHBondContact OD2-NH2 3.24Å; D241-R659 IonicContact OD1-CZ 4Å; D241-R659 IonicContact OD1-NH1 2.84Å; D241-R659 PolarHBondContact OD1-NH1 2.92Å; D241-R659 IonicContact OD1-NH2 2.86Å; D241-R659 PolarHBondContact OD1-NH2 2.92Å; D241-R659 IonicContact OD2-NH1 3.74Å; D241-R659 PolarHBondContact OD2-NH1 2.9Å; D241-R659 IonicContact OD2-NH2 2.69Å
242N90.4Very high90.8Very high47 Ų4717.4 Ų17.425%0.2519%0.091SC..Hα-helixtrans-66.6-38.1177.4-66.6-28.4000111.2N239 I245 E246 R637 R659N239-N242 PolarHBondContact O-N 3.41Å; N239-N242 VanDerWaalsContact O-N 3.13Å; N242-I245 PolarHBondContact O-N 2.7Å; N242-E246 WeakPolarHBondContact O-CB 3.17Å; N242-E246 PolarHBondContact O-N 2.89Å; N242-R637 PolarHBondContact OD1-NH1 2.87Å; N242-R637 VanDerWaalsContact OD1-NH1 3.14Å; N242-R659 PolarHBondContact ND2-NH2 3.4Å
243V90.5Very high90.7Very high5 Ų519.3 Ų19.33%0.0310%0.102CC..Hα-helixtrans-66.9-42.7177.9176.40000111.1Y210 F211 L214 N239 I240 D241 I245 E246 S247Y210-V243 HydrophobicContact CD2-CG1 4.31Å; Y210-V243 HydrophobicContact CD2-CG2 4.06Å; F211-V243 HydrophobicContact CD1-CG1 4.24Å; F211-V243 HydrophobicContact CE1-CG1 3.91Å; F211-V243 HydrophobicContact CZ-CG1 4.26Å; L214-V243 HydrophobicContact CD1-CB 4.41Å; L214-V243 HydrophobicContact CD1-CG1 3.81Å; N239-V243 WeakPolarHBondContact O-CG2 3.37Å; N239-V243 PolarHBondContact O-N 3Å; N239-V243 VanDerWaalsContact O-N 3.17Å; I240-V243 PolarHBondContact O-N 2.87Å; D241-V243 VanDerWaalsContact C-N 3.34Å; V243-I245 VanDerWaalsContact C-N 3.33Å; V243-I245 PolarHBondContact O-N 3.45Å; V243-E246 PolarHBondContact O-N 2.99Å; V243-S247 PolarHBondContact O-N 2.92Å; V243-S247 PolarHBondContact O-OG 3.27Å
244C91.4Very high90.5Very high0 Ų026 Ų260%013%0.127CC..Hα-helixtrans-58.1-44.8172.1-72.60000112I240 D241 S247 A441 P444I240-C244 PolarHBondContact O-N 2.85Å; I240-C244 PolarHBondContact O-SG 2.87Å; I240-C244 VanDerWaalsContact O-SG 3.34Å; D241-C244 PolarHBondContact O-N 2.83Å; C244-S247 PolarHBondContact O-OG 2.83Å; C244-A441 HydrophobicContact CB-CB 4.12Å; C244-P444 HydrophobicContact CB-CB 4.22Å; C244-P444 HydrophobicContact CB-CG 3.8Å; C244-P444 WeakPolarHBondContact O-CG 3.42Å
245I91.4Very high90.3Very high5 Ų535.2 Ų35.23%0.02616%0.162CC..Hα-helixtrans-67.8-43-178.8-75.5166.7000111.1D241 N242 V243 S247 M248 S249 H437 C438 A441D241-I245 WeakPolarHBondContact O-CB 3.35Å; D241-I245 WeakPolarHBondContact O-CD1 3.38Å; D241-I245 VanDerWaalsContact O-CG1 3.32Å; D241-I245 WeakPolarHBondContact O-CG1 3.32Å; D241-I245 PolarHBondContact O-N 3.24Å; N242-I245 PolarHBondContact O-N 2.7Å; V243-I245 VanDerWaalsContact C-N 3.33Å; V243-I245 PolarHBondContact O-N 3.45Å; I245-S247 PolarHBondContact O-N 2.91Å; I245-M248 PolarHBondContact O-N 3.11Å; I245-S249 VanDerWaalsContact O-CB 3.25Å; I245-S249 WeakPolarHBondContact O-CB 3.48Å; I245-S249 PolarHBondContact O-N 2.86Å; I245-S249 PolarHBondContact O-OG 3.2Å; I245-H437 WeakPolarHBondContact CG2-CE1 3.39Å; I245-H437 WeakPolarHBondContact CG2-NE2 3.48Å; I245-C438 WeakPolarHBondContact CG1-O 3.41Å; I245-C438 WeakPolarHBondContact CG2-O 3.41Å; I245-A441 HydrophobicContact CD1-CB 4.44Å; I245-A441 HydrophobicContact CG1-CB 4.38Å
246E88.8Confident90.3Very high126 Ų12635.3 Ų35.359%0.58916%0.164SC*.Hα-helixtrans-63.1-41179-172.1175-173.600111.7N242 V243 M248 S249N242-E246 WeakPolarHBondContact O-CB 3.17Å; N242-E246 PolarHBondContact O-N 2.89Å; V243-E246 PolarHBondContact O-N 2.99Å; E246-M248 PolarHBondContact O-N 3.49Å; E246-S249 PolarHBondContact O-N 3.18Å
247S86Confident90.5Very high6 Ų634.1 Ų34.14%0.04216%0.158CC..Hα-helixtrans-63-29.3-178.164.70000113.8V243 C244 I245V243-S247 PolarHBondContact O-N 2.92Å; V243-S247 PolarHBondContact O-OG 3.27Å; C244-S247 PolarHBondContact O-OG 2.83Å; I245-S247 PolarHBondContact O-N 2.91Å
248M87.1Confident90.6Very high4 Ų438.6 Ų38.62%0.0218%0.179CC..Hα-helixtrans-101.5-10.3179.9-67.6-60.3-77.400114.3P216 I245 E246 L407 Y411 F415 C438 P444P216-M248 HydrophobicContact CG-SD 3.58Å; P216-M248 VanDerWaalsContact CG-SD 3.58Å; I245-M248 PolarHBondContact O-N 3.11Å; E246-M248 PolarHBondContact O-N 3.49Å; M248-L407 HydrophobicContact CE-CD2 3.52Å; M248-L407 HydrophobicContact SD-CD2 4.36Å; M248-Y411 HydrophobicContact CE-CD2 3.88Å; M248-Y411 HydrophobicContact CE-CE1 4.45Å; M248-Y411 HydrophobicContact CE-CE2 3.3Å; M248-F415 HydrophobicContact CB-CE1 4Å; M248-F415 HydrophobicContact CB-CZ 4.03Å; M248-F415 HydrophobicContact CE-CZ 3.98Å; M248-C438 HydrophobicContact CB-CB 3.87Å; M248-P444 HydrophobicContact CG-CG 3.68Å
249S91Very high90.9Very high24 Ų2444.8 Ų44.817%0.16821%0.206CC..  trans-84.3151.7-179.8-63.80000111.7I245 E246 F436 H437 C438I245-S249 VanDerWaalsContact O-CB 3.25Å; I245-S249 WeakPolarHBondContact O-CB 3.48Å; I245-S249 PolarHBondContact O-N 2.86Å; I245-S249 PolarHBondContact O-OG 3.2Å; E246-S249 PolarHBondContact O-N 3.18Å; S249-F436 CarbonylContact C-O 3.3Å; S249-F436 VanDerWaalsContact CA-O 3.29Å; S249-F436 WeakPolarHBondContact CA-O 3.39Å; S249-H437 PolarHBondContact OG-ND1 3.18Å; S249-H437 VanDerWaalsContact OG-ND1 3.12Å; S249-C438 PolarHBondContact OG-N 3.38Å
250C90.5Very high91.2Very high9 Ų944.7 Ų44.76%0.06121%0.206CC..EExtended strand (participates in β ladder)trans-134.1138.5177.3-70.30000110.4L400 F436C250-L400 HydrophobicContact CB-CD1 4.39Å; C250-F436 HydrophobicContact CB-CB 4.32Å; C250-F436 PolarHBondContact N-O 2.83Å; C250-F436 PolarHBondContact O-N 3.31Å
251L92.8Very high91.4Very high85 Ų8546.3 Ų46.345%0.44522%0.216SC..EExtended strand (participates in β ladder)trans-114.8117.6177.7-17772.5000109.8T253 L400 V433 Y435L251-T253 HydrophobicContact CD2-CG2 4.38Å; L251-T253 HydrophobicContact CG-CG2 4.33Å; L251-L400 WeakPolarHBondContact O-CD2 3.29Å; L251-V433 HydrophobicContact CD1-CG1 3.3Å; L251-V433 HydrophobicContact CG-CG1 4.2Å; L251-Y435 HydrophobicContact CD1-CD1 3.27Å; L251-Y435 HydrophobicContact CD1-CE1 3.12Å; L251-Y435 HydrophobicContact CD1-CG 4.15Å
252I93.1Very high91.4Very high2 Ų250.9 Ų50.91%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-112.1120.6176.9-62.5178.6000108.9L257 V341 L345 L401 F404 L434I252-L257 HydrophobicContact CG2-CD1 4.25Å; I252-L257 HydrophobicContact CG2-CD2 3.58Å; I252-L257 HydrophobicContact CG2-CG 3.83Å; I252-V341 HydrophobicContact CG2-CG1 4.43Å; I252-L345 HydrophobicContact CG2-CD1 4.21Å; I252-L401 HydrophobicContact CD1-CD1 4.29Å; I252-F404 HydrophobicContact CD1-CB 3.84Å; I252-F404 HydrophobicContact CD1-CD1 3.58Å; I252-F404 HydrophobicContact CD1-CD2 4.09Å; I252-F404 HydrophobicContact CD1-CE1 4.12Å; I252-F404 HydrophobicContact CD1-CG 3.56Å; I252-L434 HydrophobicContact CB-CB 4.29Å; I252-L434 HydrophobicContact CD1-CD2 4.48Å; I252-L434 PolarHBondContact N-O 3.31Å; I252-L434 PolarHBondContact O-N 3.05Å
253T92.4Very high91.5Very high40 Ų4049 Ų4925%0.24523%0.234CC..EExtended strand (participates in β ladder)trans-108.4159.3177.563.40000110.8L251 R255 S256 L257 V433L251-T253 HydrophobicContact CD2-CG2 4.38Å; L251-T253 HydrophobicContact CG-CG2 4.33Å; T253-R255 VanDerWaalsContact C-N 3.26Å; T253-R255 PolarHBondContact O-N 3.42Å; T253-S256 PolarHBondContact N-OG 3.24Å; T253-S256 WeakPolarHBondContact O-CB 3.43Å; T253-S256 PolarHBondContact O-N 3.31Å; T253-S256 PolarHBondContact O-OG 2.81Å; T253-S256 PolarHBondContact OG1-N 3.13Å; T253-L257 PolarHBondContact O-N 3.26Å; T253-V433 HydrophobicContact CG2-CG2 4.34Å
254R91Very high91.6Very high140 Ų14048.9 Ų48.953%0.52823%0.234SC..Hα-helixtrans-51.5-44.6172.7-178.4178167.6170.41.1113.2S256 L257 E258 P432R254-S256 VanDerWaalsContact C-N 3.29Å; R254-S256 PolarHBondContact O-N 2.65Å; R254-L257 PolarHBondContact O-N 3.14Å; R254-L257 VanDerWaalsContact O-N 3.1Å; R254-E258 IonicContact CZ-OE1 2.88Å; R254-E258 IonicContact NE-OE1 3.25Å; R254-E258 PolarHBondContact NE-OE1 3.43Å; R254-E258 IonicContact NH2-OE1 3.83Å; R254-E258 PolarHBondContact O-N 2.87Å; R254-P432 HydrophobicContact CB-CG 4.17Å; R254-P432 PolarHBondContact N-O 2.95Å
255R91.2Very high91.7Very high194 Ų19452 Ų5273%0.73225%0.25SS*.Hα-helixtrans-59.3-39.5177.8-67.1-177.9-178.8172.70.5112T253 L257 E258 K259T253-R255 VanDerWaalsContact C-N 3.26Å; T253-R255 PolarHBondContact O-N 3.42Å; R255-L257 VanDerWaalsContact C-N 3.33Å; R255-L257 PolarHBondContact O-N 3.36Å; R255-E258 PolarHBondContact O-N 2.85Å; R255-K259 WeakPolarHBondContact O-CG 3.44Å; R255-K259 PolarHBondContact O-N 2.9Å; R255-K259 VanDerWaalsContact O-N 3.07Å
256S91.8Very high91.8Very high14 Ų1455 Ų5510%0.09827%0.266CS..Hα-helixtrans-64-37.8176.369.60000112.1T253 R254 K259 C260 S397T253-S256 PolarHBondContact N-OG 3.24Å; T253-S256 WeakPolarHBondContact O-CB 3.43Å; T253-S256 PolarHBondContact O-N 3.31Å; T253-S256 PolarHBondContact O-OG 2.81Å; T253-S256 PolarHBondContact OG1-N 3.13Å; R254-S256 VanDerWaalsContact C-N 3.29Å; R254-S256 PolarHBondContact O-N 2.65Å; S256-K259 PolarHBondContact O-N 2.9Å; S256-C260 PolarHBondContact O-N 3.04Å; S256-C260 PolarHBondContact O-SG 3.39Å; S256-S397 WeakPolarHBondContact O-CB 3.18Å
257L93.1Very high91.8Very high6 Ų649 Ų493%0.03124%0.238CC..Hα-helixtrans-73-34.1177.8-61.9-174.1000113.8I252 T253 R254 R255 C260 T261 L338 V341 K342 L345 L401I252-L257 HydrophobicContact CG2-CD1 4.25Å; I252-L257 HydrophobicContact CG2-CD2 3.58Å; I252-L257 HydrophobicContact CG2-CG 3.83Å; T253-L257 PolarHBondContact O-N 3.26Å; R254-L257 PolarHBondContact O-N 3.14Å; R254-L257 VanDerWaalsContact O-N 3.1Å; R255-L257 VanDerWaalsContact C-N 3.33Å; R255-L257 PolarHBondContact O-N 3.36Å; L257-C260 WeakPolarHBondContact O-CB 3.33Å; L257-C260 PolarHBondContact O-N 3.38Å; L257-T261 PolarHBondContact O-N 2.8Å; L257-T261 PolarHBondContact O-OG1 2.96Å; L257-L338 HydrophobicContact CB-CD1 4.22Å; L257-L338 HydrophobicContact CD2-CD1 3.75Å; L257-L338 HydrophobicContact CG-CD1 4.48Å; L257-V341 HydrophobicContact CD1-CG1 4.03Å; L257-V341 HydrophobicContact CD2-CG1 4.21Å; L257-K342 HydrophobicContact CB-CG 4.3Å; L257-K342 HydrophobicContact CD1-CG 3.78Å; L257-L345 HydrophobicContact CD1-CD1 3.25Å; L257-L345 HydrophobicContact CG-CD1 4.29Å; L257-L401 HydrophobicContact CD2-CD1 4.36Å
258E92.9Very high92.1Very high95 Ų9550.4 Ų50.444%0.44425%0.247SC..Hα-helixtrans-61.9-46.6171.3-72.3170-176.900109.8R254 R255 C260 T261 T262R254-E258 IonicContact CZ-OE1 2.88Å; R254-E258 IonicContact NE-OE1 3.25Å; R254-E258 PolarHBondContact NE-OE1 3.43Å; R254-E258 IonicContact NH2-OE1 3.83Å; R254-E258 PolarHBondContact O-N 2.87Å; R255-E258 PolarHBondContact O-N 2.85Å; E258-C260 PolarHBondContact O-N 2.62Å; E258-T261 WeakPolarHBondContact O-CB 3.43Å; E258-T261 PolarHBondContact O-N 3.42Å; E258-T261 VanDerWaalsContact O-N 3.07Å; E258-T262 PolarHBondContact O-N 3.29Å; E258-T262 VanDerWaalsContact O-N 3.16Å; E258-T262 PolarHBondContact O-OG1 3.22Å
259K93Very high92.4Very high131 Ų13155.7 Ų55.757%0.5727%0.271SS*.Hα-helixtrans-60.1-40.3171.7-71.2-176.6179-172.90112.9R255 S256 T261 T262 S263R255-K259 WeakPolarHBondContact O-CG 3.44Å; R255-K259 PolarHBondContact O-N 2.9Å; R255-K259 VanDerWaalsContact O-N 3.07Å; S256-K259 PolarHBondContact O-N 2.9Å; K259-T261 VanDerWaalsContact C-N 3.25Å; K259-T261 PolarHBondContact O-N 3.19Å; K259-T262 PolarHBondContact O-N 3.49Å; K259-S263 WeakPolarHBondContact O-CB 3.27Å; K259-S263 PolarHBondContact O-N 2.94Å; K259-S263 PolarHBondContact O-OG 2.67Å
260C93.8Very high92.3Very high1 Ų155.6 Ų55.61%0.00727%0.269CS..Hα-helixtrans-58.2-38.7173.4-68.70000111.9S256 L257 E258 S263 L264 L338 S397S256-C260 PolarHBondContact O-N 3.04Å; S256-C260 PolarHBondContact O-SG 3.39Å; L257-C260 WeakPolarHBondContact O-CB 3.33Å; L257-C260 PolarHBondContact O-N 3.38Å; E258-C260 PolarHBondContact O-N 2.62Å; C260-S263 PolarHBondContact O-N 2.82Å; C260-L264 VanDerWaalsContact O-CB 3.25Å; C260-L264 WeakPolarHBondContact O-CB 3.41Å; C260-L264 PolarHBondContact O-N 3.47Å; C260-L338 HydrophobicContact CB-CD1 3.88Å; C260-L338 HydrophobicContact CB-CD2 4.16Å; C260-S397 VanDerWaalsContact SG-CB 3.58Å; C260-S397 PolarHBondContact SG-O 3.11Å
261T94.6Very high92.2Very high34 Ų3455.1 Ų55.121%0.20927%0.267CS..Hα-helixtrans-65.5-47.1179.8-51.70000110.7L257 E258 K259 S263 L264 N265 K342L257-T261 PolarHBondContact O-N 2.8Å; L257-T261 PolarHBondContact O-OG1 2.96Å; E258-T261 WeakPolarHBondContact O-CB 3.43Å; E258-T261 PolarHBondContact O-N 3.42Å; E258-T261 VanDerWaalsContact O-N 3.07Å; K259-T261 VanDerWaalsContact C-N 3.25Å; K259-T261 PolarHBondContact O-N 3.19Å; T261-S263 VanDerWaalsContact C-N 3.34Å; T261-S263 PolarHBondContact O-N 3.03Å; T261-L264 PolarHBondContact O-N 3.38Å; T261-N265 PolarHBondContact O-N 3.22Å; T261-N265 PolarHBondContact O-ND2 2.88Å; T261-K342 VanDerWaalsContact OG1-CE 3.29Å; T261-K342 WeakPolarHBondContact OG1-CE 3.29Å; T261-K342 PolarHBondContact OG1-NZ 3.14Å
262T93.7Very high92.1Very high100 Ų10054.9 Ų54.961%0.61327%0.265SS*.Hα-helixtrans-60.5-44.6175-50.90000111.4E258 K259 L264 N265 L266E258-T262 PolarHBondContact O-N 3.29Å; E258-T262 VanDerWaalsContact O-N 3.16Å; E258-T262 PolarHBondContact O-OG1 3.22Å; K259-T262 PolarHBondContact O-N 3.49Å; T262-L264 VanDerWaalsContact C-N 3.34Å; T262-L264 PolarHBondContact O-N 2.84Å; T262-N265 PolarHBondContact O-N 2.85Å; T262-L266 PolarHBondContact O-N 2.94Å
263S91.9Very high91.9Very high8 Ų860 Ų606%0.05629%0.289CS..Hα-helixtrans-62.6-40.5178.4-52.90000111.9K259 C260 T261 L266 L267 N394K259-S263 WeakPolarHBondContact O-CB 3.27Å; K259-S263 PolarHBondContact O-N 2.94Å; K259-S263 PolarHBondContact O-OG 2.67Å; C260-S263 PolarHBondContact O-N 2.82Å; T261-S263 VanDerWaalsContact C-N 3.34Å; T261-S263 PolarHBondContact O-N 3.03Å; S263-L266 PolarHBondContact O-N 2.82Å; S263-L267 WeakPolarHBondContact O-CB 3.2Å; S263-L267 PolarHBondContact O-N 2.96Å; S263-N394 PolarHBondContact OG-O 2.95Å
264L92.9Very high91.6Very high3 Ų359.2 Ų59.22%0.01629%0.287CS..Hα-helixtrans-69.6-37.3178.5-170.970.5000111.5C260 T261 T262 L267 T268 L331 L334 R335 L338C260-L264 VanDerWaalsContact O-CB 3.25Å; C260-L264 WeakPolarHBondContact O-CB 3.41Å; C260-L264 PolarHBondContact O-N 3.47Å; T261-L264 PolarHBondContact O-N 3.38Å; T262-L264 VanDerWaalsContact C-N 3.34Å; T262-L264 PolarHBondContact O-N 2.84Å; L264-L267 PolarHBondContact O-N 2.94Å; L264-T268 WeakPolarHBondContact O-CB 3.46Å; L264-T268 PolarHBondContact O-N 2.74Å; L264-T268 PolarHBondContact O-OG1 3.47Å; L264-L331 HydrophobicContact CD1-CD2 3.72Å; L264-L334 HydrophobicContact CD1-CB 4.04Å; L264-L334 HydrophobicContact CD1-CD1 4.3Å; L264-R335 HydrophobicContact CD2-CB 3.77Å; L264-R335 HydrophobicContact CD2-CG 4.13Å; L264-L338 HydrophobicContact CD2-CD2 4.26Å
265N93.6Very high91.4Very high65 Ų6556.3 Ų56.335%0.34828%0.278SS..Hα-helixtrans-65.4-44.3174.5-71.7-22.2000111.3T261 T262 T268 Q269 R335T261-N265 PolarHBondContact O-N 3.22Å; T261-N265 PolarHBondContact O-ND2 2.88Å; T262-N265 PolarHBondContact O-N 2.85Å; N265-T268 WeakPolarHBondContact O-CB 3.29Å; N265-T268 PolarHBondContact O-N 3.29Å; N265-Q269 WeakPolarHBondContact O-CG 3.41Å; N265-Q269 PolarHBondContact O-N 2.81Å; N265-R335 PolarHBondContact OD1-NH2 2.82Å
266L91.7Very high91.2Very high67 Ų6752.3 Ų52.335%0.35128%0.275SS..Hα-helixtrans-59.8-46.5173.3-179.164.4000111.2T262 S263 T268 Q269 T270 F395T262-L266 PolarHBondContact O-N 2.94Å; S263-L266 PolarHBondContact O-N 2.82Å; L266-T268 VanDerWaalsContact C-N 3.28Å; L266-T268 PolarHBondContact O-N 2.99Å; L266-Q269 PolarHBondContact O-N 2.77Å; L266-T270 HydrophobicContact CD1-CG2 4.47Å; L266-T270 WeakPolarHBondContact O-CG2 3.16Å; L266-T270 PolarHBondContact O-N 2.82Å; L266-T270 PolarHBondContact O-OG1 2.85Å; L266-F395 HydrophobicContact CD2-CE1 4.45Å; L266-F395 HydrophobicContact CD2-CZ 4Å; L266-F395 HydrophobicContact CG-CZ 4.46Å
267L90.7Very high90.8Very high0 Ų057.4 Ų57.40%030%0.302CS..Hα-helixtrans-61.3-38.1176.9-165.163.4000111.6S263 L264 T270 V271 L331 L380 L383 L384 L387 L389 F395 L398S263-L267 WeakPolarHBondContact O-CB 3.2Å; S263-L267 PolarHBondContact O-N 2.96Å; L264-L267 PolarHBondContact O-N 2.94Å; L267-T270 WeakPolarHBondContact CA-OG1 3.35Å; L267-T270 PolarHBondContact O-N 2.78Å; L267-T270 PolarHBondContact O-OG1 2.88Å; L267-V271 WeakPolarHBondContact O-CB 3.45Å; L267-V271 VanDerWaalsContact O-CG2 3.28Å; L267-V271 WeakPolarHBondContact O-CG2 3.19Å; L267-V271 PolarHBondContact O-N 2.67Å; L267-L331 HydrophobicContact CB-CD2 4.25Å; L267-L331 HydrophobicContact CD2-CD2 3.61Å; L267-L331 HydrophobicContact CG-CD2 3.87Å; L267-L380 HydrophobicContact CD2-CD1 4.22Å; L267-L383 HydrophobicContact CD2-CD2 4.03Å; L267-L383 HydrophobicContact CG-CD2 4.42Å; L267-L384 HydrophobicContact CD1-CD2 4Å; L267-L387 HydrophobicContact CD1-CD1 3.52Å; L267-L389 HydrophobicContact CD1-CD1 3.82Å; L267-F395 HydrophobicContact CB-CE1 4.2Å; L267-F395 HydrophobicContact CD1-CE1 4.19Å; L267-L398 HydrophobicContact CD2-CD2 4.01Å
268T92.4Very high89.8Confident37 Ų3761 Ų6123%0.22732%0.321CS..Hα-helixtrans-64-44175.7-53.30000111.8L264 N265 L266 V271 N272L264-T268 WeakPolarHBondContact O-CB 3.46Å; L264-T268 PolarHBondContact O-N 2.74Å; L264-T268 PolarHBondContact O-OG1 3.47Å; N265-T268 WeakPolarHBondContact O-CB 3.29Å; N265-T268 PolarHBondContact O-N 3.29Å; L266-T268 VanDerWaalsContact C-N 3.28Å; L266-T268 PolarHBondContact O-N 2.99Å; T268-V271 PolarHBondContact O-N 3.13Å; T268-N272 VanDerWaalsContact O-CG 3.28Å; T268-N272 PolarHBondContact O-N 2.85Å; T268-N272 PolarHBondContact O-ND2 3.02Å
269Q91.6Very high89.3Confident114 Ų11458.8 Ų58.853%0.53332%0.316SS..Hα-helixtrans-62-49.7176.3-72.5171.5-1900111.1N265 L266 V271 N272 E273N265-Q269 WeakPolarHBondContact O-CG 3.41Å; N265-Q269 PolarHBondContact O-N 2.81Å; L266-Q269 PolarHBondContact O-N 2.77Å; Q269-V271 VanDerWaalsContact C-N 3.31Å; Q269-V271 PolarHBondContact O-N 2.86Å; Q269-N272 WeakPolarHBondContact O-CB 3.42Å; Q269-N272 PolarHBondContact O-N 2.88Å; Q269-E273 WeakPolarHBondContact O-CG 3.13Å; Q269-E273 PolarHBondContact O-N 2.97Å
270T88.8Confident88.9Confident22 Ų2258.9 Ų58.914%0.13532%0.319CS..Hα-helixtrans-62.4-35.1178.958.10000113.1L266 L267 A274 L389L266-T270 HydrophobicContact CD1-CG2 4.47Å; L266-T270 WeakPolarHBondContact O-CG2 3.16Å; L266-T270 PolarHBondContact O-N 2.82Å; L266-T270 PolarHBondContact O-OG1 2.85Å; L267-T270 WeakPolarHBondContact CA-OG1 3.35Å; L267-T270 PolarHBondContact O-N 2.78Å; L267-T270 PolarHBondContact O-OG1 2.88Å; T270-A274 VanDerWaalsContact O-CB 3.26Å; T270-A274 WeakPolarHBondContact O-CB 3.45Å; T270-A274 PolarHBondContact O-N 2.9Å; T270-L389 HydrophobicContact CG2-CD2 4.29Å
271V89.5Confident88.3Confident0 Ų063.2 Ų63.20%034%0.335CS..Hα-helixtrans-68-39.3173.4168.60000111.3L267 T268 Q269 A274 K275 A327 L331 L383 L387L267-V271 WeakPolarHBondContact O-CB 3.45Å; L267-V271 VanDerWaalsContact O-CG2 3.28Å; L267-V271 WeakPolarHBondContact O-CG2 3.19Å; L267-V271 PolarHBondContact O-N 2.67Å; T268-V271 PolarHBondContact O-N 3.13Å; Q269-V271 VanDerWaalsContact C-N 3.31Å; Q269-V271 PolarHBondContact O-N 2.86Å; V271-A274 PolarHBondContact O-N 2.85Å; V271-K275 HydrophobicContact CG1-CD 4.44Å; V271-K275 VanDerWaalsContact O-CG 3.31Å; V271-K275 WeakPolarHBondContact O-CG 3.42Å; V271-K275 PolarHBondContact O-N 2.92Å; V271-A327 HydrophobicContact CG1-CB 3.94Å; V271-A327 HydrophobicContact CG2-CB 4.49Å; V271-L331 HydrophobicContact CB-CD1 4.12Å; V271-L331 HydrophobicContact CG1-CD1 4.3Å; V271-L331 HydrophobicContact CG2-CD1 4.04Å; V271-L383 HydrophobicContact CG2-CD1 4.42Å; V271-L387 HydrophobicContact CG2-CD1 3.7Å; V271-L387 HydrophobicContact CG2-CD2 4.12Å
272N90.5Very high87.6Confident79 Ų7962.9 Ų62.942%0.42233%0.331SS..Hα-helixtrans-65.1-42.3175.5-71.2-22.5000111.7T268 Q269 K275 T276T268-N272 VanDerWaalsContact O-CG 3.28Å; T268-N272 PolarHBondContact O-N 2.85Å; T268-N272 PolarHBondContact O-ND2 3.02Å; Q269-N272 WeakPolarHBondContact O-CB 3.42Å; Q269-N272 PolarHBondContact O-N 2.88Å; N272-K275 WeakPolarHBondContact O-CB 2.96Å; N272-K275 PolarHBondContact O-N 2.65Å; N272-T276 PolarHBondContact O-N 2.9Å; N272-T276 VanDerWaalsContact O-N 3.08Å
273E88.7Confident87.1Confident109 Ų10964.2 Ų64.251%0.50933%0.329SS..Hα-helixtrans-64.2-41173.5-69.7169.1-169.900112.1Q269 K275 T276 N277Q269-E273 WeakPolarHBondContact O-CG 3.13Å; Q269-E273 PolarHBondContact O-N 2.97Å; E273-K275 VanDerWaalsContact C-N 3.27Å; E273-K275 PolarHBondContact O-N 2.82Å; E273-T276 WeakPolarHBondContact CA-OG1 3.42Å; E273-T276 PolarHBondContact O-N 2.9Å; E273-T276 PolarHBondContact O-OG1 3.01Å; E273-N277 VanDerWaalsContact O-CB 3.3Å; E273-N277 WeakPolarHBondContact O-CB 3.26Å; E273-N277 VanDerWaalsContact O-CG 3.26Å; E273-N277 PolarHBondContact O-N 3.23Å; E273-N277 PolarHBondContact O-ND2 3.49Å
274A85.9Confident86.7Confident24 Ų2468.9 Ų68.920%0.19835%0.35CS..Hα-helixtrans-63.9-34.4175.800000111.5T270 V271 N278 S279 L282 L387T270-A274 VanDerWaalsContact O-CB 3.26Å; T270-A274 WeakPolarHBondContact O-CB 3.45Å; T270-A274 PolarHBondContact O-N 2.9Å; V271-A274 PolarHBondContact O-N 2.85Å; A274-N278 CarbonylContact O-C 3.53Å; A274-N278 WeakPolarHBondContact O-CA 3.36Å; A274-N278 PolarHBondContact O-N 2.91Å; A274-N278 VanDerWaalsContact O-O 3.12Å; A274-S279 PolarHBondContact O-N 3.37Å; A274-L282 HydrophobicContact CB-CD1 4.3Å; A274-L387 HydrophobicContact CB-CD2 3.77Å
275K86.5Confident86Confident79 Ų7968.9 Ų68.934%0.34335%0.35SS..Hα-helixtrans-68.6-40.6174.3-76169.3166.5-172.60113.2V271 N272 E273 L282 D328V271-K275 HydrophobicContact CG1-CD 4.44Å; V271-K275 VanDerWaalsContact O-CG 3.31Å; V271-K275 WeakPolarHBondContact O-CG 3.42Å; V271-K275 PolarHBondContact O-N 2.92Å; N272-K275 WeakPolarHBondContact O-CB 2.96Å; N272-K275 PolarHBondContact O-N 2.65Å; E273-K275 VanDerWaalsContact C-N 3.27Å; E273-K275 PolarHBondContact O-N 2.82Å; K275-L282 HydrophobicContact CG-CD1 3.68Å; K275-D328 WeakPolarHBondContact CE-OD2 3.39Å; K275-D328 IonicContact NZ-OD1 3.04Å; K275-D328 PolarHBondContact NZ-OD1 2.89Å; K275-D328 IonicContact NZ-OD2 3.98Å; K275-D328 PolarHBondContact NZ-OD2 3Å
276T87.1Confident85.4Confident110 Ų11070.8 Ų70.868%0.67535%0.353SS*.Hα-helixtrans-70.6-38178.655.30000111.5N272 E273N272-T276 PolarHBondContact O-N 2.9Å; N272-T276 VanDerWaalsContact O-N 3.08Å; E273-T276 WeakPolarHBondContact CA-OG1 3.42Å; E273-T276 PolarHBondContact O-N 2.9Å; E273-T276 PolarHBondContact O-OG1 3.01Å
277N83.6Confident85Confident121 Ų12173 Ų7365%0.64736%0.362SS*.Hα-helixtrans-93.9-38.5-171.4-61.2-11.2000113.1E273E273-N277 VanDerWaalsContact O-CB 3.3Å; E273-N277 WeakPolarHBondContact O-CB 3.26Å; E273-N277 VanDerWaalsContact O-CG 3.26Å; E273-N277 PolarHBondContact O-N 3.23Å; E273-N277 PolarHBondContact O-ND2 3.49Å
278N72.7Confident84.3Confident81 Ų8178 Ų7843%0.43338%0.38SS..  trans-151.769.4-170.2-88.8-34.5000112.5A274 E280A274-N278 CarbonylContact O-C 3.53Å; A274-N278 WeakPolarHBondContact O-CA 3.36Å; A274-N278 PolarHBondContact O-N 2.91Å; A274-N278 VanDerWaalsContact O-O 3.12Å; N278-E280 PolarHBondContact O-N 3.45Å; N278-E280 VanDerWaalsContact O-N 3.17Å
279S81.6Confident83.6Confident50 Ų5076.5 Ų76.535%0.3537%0.371SS..Hα-helixtrans-62.2-21.7178.775.40000114.3A274 L282 K283A274-S279 PolarHBondContact O-N 3.37Å; S279-L282 PolarHBondContact O-N 3.34Å; S279-K283 WeakPolarHBondContact O-CG 3.33Å; S279-K283 PolarHBondContact O-N 3.34Å
280E84.9Confident82.8Confident133 Ų13374.3 Ų74.362%0.62137%0.365SS*.Hα-helixtrans-64-44-177-64.7-176.1163.200112.6N278 L282 K283 E284N278-E280 PolarHBondContact O-N 3.45Å; N278-E280 VanDerWaalsContact O-N 3.17Å; E280-L282 VanDerWaalsContact C-N 3.29Å; E280-L282 PolarHBondContact O-N 3.36Å; E280-K283 CarbonylContact O-C 3.56Å; E280-K283 WeakPolarHBondContact O-CA 3.5Å; E280-K283 WeakPolarHBondContact O-CB 3.47Å; E280-K283 PolarHBondContact O-N 2.83Å; E280-E284 PolarHBondContact O-N 3.36Å
281R80.5Confident81.9Confident92 Ų9279.7 Ų79.735%0.34739%0.389SS..Hα-helixtrans-60.1-38.9-179.3-67.4179.1175.9-169.1-12.6112.9K283 E285 T386 E388R281-K283 VanDerWaalsContact C-N 3.35Å; R281-E285 PolarHBondContact O-N 2.78Å; R281-T386 HydrophobicContact CB-CG2 4.45Å; R281-E388 IonicContact CZ-OE1 2.96Å; R281-E388 IonicContact CZ-OE2 3.56Å; R281-E388 IonicContact NH1-OE1 3.68Å; R281-E388 PolarHBondContact NH1-OE1 3.42Å; R281-E388 IonicContact NH1-OE2 3.98Å; R281-E388 PolarHBondContact NH1-OE2 2.8Å; R281-E388 IonicContact NH2-OE1 3.24Å; R281-E388 PolarHBondContact NH2-OE1 3.17Å; R281-E388 IonicContact NH2-OE2 2.92Å; R281-E388 PolarHBondContact NH2-OE2 3.26Å
282L81Confident80.7Confident26 Ų2680.5 Ų80.514%0.13640%0.397CS..Hα-helixtrans-70.4-33.3176.7-67.2174.3000111.4A274 K275 S279 E280 Y286 T386 L387A274-L282 HydrophobicContact CB-CD1 4.3Å; K275-L282 HydrophobicContact CG-CD1 3.68Å; S279-L282 PolarHBondContact O-N 3.34Å; E280-L282 VanDerWaalsContact C-N 3.29Å; E280-L282 PolarHBondContact O-N 3.36Å; L282-Y286 WeakPolarHBondContact O-CB 3.42Å; L282-Y286 PolarHBondContact O-N 3.09Å; L282-T386 HydrophobicContact CD2-CG2 4.27Å; L282-L387 HydrophobicContact CD2-CD2 4.45Å
283K83.8Confident79.2Confident128 Ų12878.3 Ų78.356%0.55739%0.385SS*.Hα-helixtrans-69.2-42.6173.6-69.2172.8-177.1173.40111.6S279 E280 R281 Y286 Q287S279-K283 WeakPolarHBondContact O-CG 3.33Å; S279-K283 PolarHBondContact O-N 3.34Å; E280-K283 CarbonylContact O-C 3.56Å; E280-K283 WeakPolarHBondContact O-CA 3.5Å; E280-K283 WeakPolarHBondContact O-CB 3.47Å; E280-K283 PolarHBondContact O-N 2.83Å; R281-K283 VanDerWaalsContact C-N 3.35Å; K283-Y286 WeakPolarHBondContact O-CB 3.08Å; K283-Y286 PolarHBondContact O-N 3.29Å; K283-Q287 WeakPolarHBondContact O-CG 3.41Å; K283-Q287 PolarHBondContact O-N 3.46Å
284E82.5Confident77.4Confident107 Ų10783 Ų8350%0.540%0.398SS..Hα-helixtrans-62.1-42174.1-71.4178.2175.200111.7E280 Q287 R288E280-E284 PolarHBondContact O-N 3.36Å; E284-Q287 PolarHBondContact O-N 3.21Å; E284-R288 WeakPolarHBondContact O-CB 3.2Å; E284-R288 VanDerWaalsContact O-CG 3.28Å; E284-R288 WeakPolarHBondContact O-CG 3.23Å; E284-R288 PolarHBondContact O-N 2.97Å; E284-R288 PolarHBondContact O-NE 2.87Å
285E78Confident75.6Confident2 Ų288.6 Ų88.61%0.00942%0.42CS..Hα-helixtrans-59.3-48.3171.9-171.6-169.9-151.400111R281 Q287 R288 L289 R379 S382 L383 T386R281-E285 PolarHBondContact O-N 2.78Å; E285-Q287 VanDerWaalsContact C-N 3.3Å; E285-Q287 PolarHBondContact O-N 3.46Å; E285-R288 PolarHBondContact O-N 2.85Å; E285-L289 HydrophobicContact CG-CD1 4.24Å; E285-L289 HydrophobicContact CG-CG 4.31Å; E285-L289 VanDerWaalsContact O-CG 3.31Å; E285-L289 WeakPolarHBondContact O-CG 3.35Å; E285-L289 PolarHBondContact O-N 2.86Å; E285-R379 IonicContact OE1-CZ 3.34Å; E285-R379 IonicContact OE1-NH1 2.65Å; E285-R379 PolarHBondContact OE1-NH1 3.2Å; E285-R379 IonicContact OE1-NH2 2.81Å; E285-R379 IonicContact OE2-CZ 2.64Å; E285-R379 IonicContact OE2-NH1 2.7Å; E285-R379 PolarHBondContact OE2-NH1 3.07Å; E285-R379 IonicContact OE2-NH2 3.21Å; E285-R379 PolarHBondContact OE2-NH2 3.42Å; E285-S382 WeakPolarHBondContact OE1-CB 3.21Å; E285-S382 VanDerWaalsContact OE1-O 3.13Å; E285-S382 PolarHBondContact OE1-OG 3.38Å; E285-L383 WeakPolarHBondContact OE1-CA 3.18Å; E285-L383 PolarHBondContact OE1-N 3.15Å; E285-T386 HydrophobicContact CB-CG2 3.87Å; E285-T386 VanDerWaalsContact CD-OG1 3.25Å; E285-T386 HydrophobicContact CG-CG2 4.33Å; E285-T386 WeakPolarHBondContact CG-OG1 3.36Å; E285-T386 PolarHBondContact OE1-OG1 3.06Å
286Y81.8Confident73.8Confident106 Ų10687.1 Ų87.142%0.41642%0.422SS..Hα-helixtrans-56.2-45.3178.6-174.5-85.6000111.7L282 K283 L289 V290 R325L282-Y286 WeakPolarHBondContact O-CB 3.42Å; L282-Y286 PolarHBondContact O-N 3.09Å; K283-Y286 WeakPolarHBondContact O-CB 3.08Å; K283-Y286 PolarHBondContact O-N 3.29Å; Y286-L289 PolarHBondContact O-N 3.47Å; Y286-V290 HydrophobicContact CD1-CG2 4.03Å; Y286-V290 HydrophobicContact CE1-CG2 3.71Å; Y286-V290 VanDerWaalsContact O-CG2 3.29Å; Y286-V290 WeakPolarHBondContact O-CG2 3.23Å; Y286-V290 PolarHBondContact O-N 3.47Å; Y286-R325 HydrophobicContact CD2-CB 3.78Å; Y286-R325 HydrophobicContact CE2-CB 3.45Å; Y286-R325 VanDerWaalsContact CE2-CB 3.45Å
287Q81.7Confident72.1Confident114 Ų11487.4 Ų87.453%0.53341%0.414SS..Hα-helixtrans-62.3-47.2175.9-72.7174.8-11.900112K283 E284 E285 L289 V290 E291K283-Q287 WeakPolarHBondContact O-CG 3.41Å; K283-Q287 PolarHBondContact O-N 3.46Å; E284-Q287 PolarHBondContact O-N 3.21Å; E285-Q287 VanDerWaalsContact C-N 3.3Å; E285-Q287 PolarHBondContact O-N 3.46Å; Q287-L289 VanDerWaalsContact C-N 3.25Å; Q287-L289 PolarHBondContact O-N 2.83Å; Q287-V290 WeakPolarHBondContact O-CB 3.41Å; Q287-V290 PolarHBondContact O-N 2.92Å; Q287-E291 WeakPolarHBondContact O-CG 3.34Å; Q287-E291 PolarHBondContact O-N 2.83Å
288R77.6Confident70.4Confident104 Ų10489 Ų8939%0.39242%0.422SS..Hα-helixtrans-56.5-38.8175.2-74.6-177.7-69.9153.50112.4E284 E285 G292 T386E284-R288 WeakPolarHBondContact O-CB 3.2Å; E284-R288 VanDerWaalsContact O-CG 3.28Å; E284-R288 WeakPolarHBondContact O-CG 3.23Å; E284-R288 PolarHBondContact O-N 2.97Å; E284-R288 PolarHBondContact O-NE 2.87Å; E285-R288 PolarHBondContact O-N 2.85Å; R288-G292 PolarHBondContact O-N 3.38Å; R288-T386 PolarHBondContact NH2-OG1 3.26Å
289L76.6Confident69.3Low6 Ų687.9 Ų87.93%0.03142%0.421CS..Hα-helixtrans-72.1-28177.4-66.8-175.7000113.1E285 Y286 Q287 I320E285-L289 HydrophobicContact CG-CD1 4.24Å; E285-L289 HydrophobicContact CG-CG 4.31Å; E285-L289 VanDerWaalsContact O-CG 3.31Å; E285-L289 WeakPolarHBondContact O-CG 3.35Å; E285-L289 PolarHBondContact O-N 2.86Å; Y286-L289 PolarHBondContact O-N 3.47Å; Q287-L289 VanDerWaalsContact C-N 3.25Å; Q287-L289 PolarHBondContact O-N 2.83Å; L289-I320 HydrophobicContact CD2-CD1 3.59Å; L289-I320 HydrophobicContact CD2-CG1 4.39Å
290V75.5Confident67.9Low68 Ų6891.1 Ų91.141%0.41243%0.428SS..Hα-helixtrans-76.4-44.8176171.30000111.5Y286 Q287 G292Y286-V290 HydrophobicContact CD1-CG2 4.03Å; Y286-V290 HydrophobicContact CE1-CG2 3.71Å; Y286-V290 VanDerWaalsContact O-CG2 3.29Å; Y286-V290 WeakPolarHBondContact O-CG2 3.23Å; Y286-V290 PolarHBondContact O-N 3.47Å; Q287-V290 WeakPolarHBondContact O-CB 3.41Å; Q287-V290 PolarHBondContact O-N 2.92Å; V290-G292 PolarHBondContact O-N 3.3Å
291E70.5Confident66.4Low135 Ų13587.7 Ų87.763%0.63141%0.412SS*.Hα-helixtrans-67.4-15.8178.3-69.2173.6-175.300112.7Q287Q287-E291 WeakPolarHBondContact O-CG 3.34Å; Q287-E291 PolarHBondContact O-N 2.83Å
292G64.3Low65.2Low16 Ų1683.3 Ų83.317%0.16540%0.396CS..  trans97.3154.5173.300000112.8R288 V290 R294R288-G292 PolarHBondContact O-N 3.38Å; V290-G292 PolarHBondContact O-N 3.3Å; G292-R294 PolarHBondContact O-N 3.31Å
293L58.7Low64.1Low34 Ų3482.8 Ų82.818%0.17839%0.393CS..THydrogen-bonded Turntrans-64.5-4-172.2-74162.1000115Q295 A296 K297 I320L293-Q295 VanDerWaalsContact C-N 3.26Å; L293-Q295 PolarHBondContact O-N 3.08Å; L293-A296 HydrophobicContact CD2-CB 4.21Å; L293-A296 PolarHBondContact O-N 2.9Å; L293-A296 VanDerWaalsContact O-N 3.12Å; L293-K297 PolarHBondContact O-N 2.87Å; L293-I320 HydrophobicContact CD1-CD1 4.35Å; L293-I320 HydrophobicContact CD1-CG1 3.94Å; L293-I320 HydrophobicContact CD2-CD1 4.41Å; L293-I320 HydrophobicContact CG-CG1 4.37Å
294R51.4Low62.8Low206 Ų20679.8 Ų79.878%0.77738%0.383SS*.THydrogen-bonded Turntrans-59.6-33.9-176.9-87.1-173.1176.3-178.6-0.6112.8G292G292-R294 PolarHBondContact O-N 3.31Å
295Q47.7Very low61.4Low143 Ų14376.7 Ų76.767%0.66837%0.371SS*.THydrogen-bonded Turntrans-82.9-27.3176.5-67.7-172.94.200113.3L293 K297 L298L293-Q295 VanDerWaalsContact C-N 3.26Å; L293-Q295 PolarHBondContact O-N 3.08Å; Q295-K297 PolarHBondContact O-N 2.63Å; Q295-L298 PolarHBondContact O-N 3.23Å
296A49Very low60.2Low47 Ų4777.7 Ų77.739%0.38838%0.377SS..G310 helixtrans-68.9-19.1179.500000113.5L293 L298 S299L293-A296 HydrophobicContact CD2-CB 4.21Å; L293-A296 PolarHBondContact O-N 2.9Å; L293-A296 VanDerWaalsContact O-N 3.12Å; A296-L298 PolarHBondContact O-N 3.21Å; A296-S299 WeakPolarHBondContact O-CB 3.38Å; A296-S299 PolarHBondContact O-N 2.94Å; A296-S299 VanDerWaalsContact O-N 3.14Å; A296-S299 PolarHBondContact O-OG 2.82Å
297K50.4Low58.9Low116 Ų11673.5 Ų73.550%0.50436%0.364SS..G310 helixtrans-64.4-14.1174.4-88.1-176176.9176.30113.9L293 Q295 S299L293-K297 PolarHBondContact O-N 2.87Å; Q295-K297 PolarHBondContact O-N 2.63Å; K297-S299 VanDerWaalsContact C-N 3.26Å; K297-S299 PolarHBondContact O-N 3.47Å
298L47.6Very low57.7Low156 Ų15668.5 Ų68.582%0.81734%0.341SS*.G310 helixtrans-86.113.6173.3-89.7146.7000113.9Q295 A296 K300Q295-L298 PolarHBondContact O-N 3.23Å; A296-L298 PolarHBondContact O-N 3.21Å; L298-K300 PolarHBondContact O-N 2.87Å
299S50.9Low56.7Low57 Ų5763.6 Ų63.640%0.39932%0.322SS..  trans-58.3128.1171.6-58.50000110.5A296 K297A296-S299 WeakPolarHBondContact O-CB 3.38Å; A296-S299 PolarHBondContact O-N 2.94Å; A296-S299 VanDerWaalsContact O-N 3.14Å; A296-S299 PolarHBondContact O-OG 2.82Å; K297-S299 VanDerWaalsContact C-N 3.26Å; K297-S299 PolarHBondContact O-N 3.47Å
300K51Low55.8Low117 Ų11764.1 Ų64.151%0.50933%0.327SS..  trans-51.2143.6-177.3-70.1-174.7175.7-170.40111.5L298 T302 D303L298-K300 PolarHBondContact O-N 2.87Å; K300-T302 PolarHBondContact O-N 3.4Å; K300-D303 PolarHBondContact O-N 2.82Å
301E54.1Low54.9Low61 Ų6161.3 Ų61.329%0.28531%0.31SS..THydrogen-bonded Turntrans-48.7-25.6-176.5-66.1176.8151.900115.5R167 R197R167-E301 IonicContact CZ-OE2 3.04Å; R167-E301 IonicContact NH2-OE2 2.77Å; R167-E301 PolarHBondContact NH2-OE2 2.94Å; R197-E301 PolarHBondContact NH1-O 3.05Å
302T55.7Low54.3Low1 Ų157.6 Ų57.61%0.00630%0.298CS..THydrogen-bonded Turntrans-72.1-29.7179.248.90000113.8Y159 F194 K300 L304Y159-T302 HydrophobicContact CE1-CG2 3.53Å; Y159-T302 HydrophobicContact CE2-CG2 3.86Å; Y159-T302 WeakPolarHBondContact OH-CG2 3.37Å; F194-T302 HydrophobicContact CE1-CG2 4.27Å; F194-T302 HydrophobicContact CZ-CG2 4.18Å; K300-T302 PolarHBondContact O-N 3.4Å; T302-L304 VanDerWaalsContact C-N 3.29Å; T302-L304 PolarHBondContact O-N 2.93Å
303D56.2Low53.9Low14 Ų1461.6 Ų61.68%0.07532%0.315CS..SBendtrans-87.2-5.9-169.7-63-4.4000112.2S141 K300 V305 H385S141-D303 WeakPolarHBondContact CB-OD1 3.39Å; S141-D303 WeakPolarHBondContact CB-OD2 3.48Å; S141-D303 PolarHBondContact N-OD1 2.89Å; S141-D303 VanDerWaalsContact OG-CG 3.3Å; S141-D303 PolarHBondContact OG-OD1 3.01Å; S141-D303 PolarHBondContact OG-OD2 2.94Å; K300-D303 PolarHBondContact O-N 2.82Å; D303-V305 PolarHBondContact O-N 3.39Å; D303-H385 IonicContact OD2-CD2 2.67Å; D303-H385 IonicContact OD2-CE1 3.8Å; D303-H385 IonicContact OD2-NE2 3.64Å; D303-H385 PolarHBondContact OD2-NE2 3.48Å
304L57.7Low53.6Low65 Ų6565.8 Ų65.834%0.3434%0.338SS..THydrogen-bonded Turntrans-79.357.1175.8-65.6166.1000111.7V221 T302V221-L304 HydrophobicContact CG1-CB 4.43Å; T302-L304 VanDerWaalsContact C-N 3.29Å; T302-L304 PolarHBondContact O-N 2.93Å
305V52.8Low54Low43 Ų4357.3 Ų57.326%0.26131%0.308SS..THydrogen-bonded Turntrans-86-34.5174.2174.60000112F136 D303 Y392F136-V305 HydrophobicContact CB-CG2 4.19Å; F136-V305 HydrophobicContact CD2-CB 4.31Å; F136-V305 HydrophobicContact CD2-CG2 3.14Å; F136-V305 HydrophobicContact CE2-CG2 3.61Å; F136-V305 HydrophobicContact CG-CG2 3.8Å; D303-V305 PolarHBondContact O-N 3.39Å; V305-Y392 HydrophobicContact CG1-CD1 4.3Å; V305-Y392 HydrophobicContact CG1-CG 4.37Å
306L52.8Low54.4Low23 Ų2352.2 Ų52.212%0.1229%0.285CS..SBendtrans-98.5129.2173.3-66.2172.1000106.3R381 L384 Y392 T399L306-R381 VanDerWaalsContact C-CZ 3.41Å; L306-R381 VanDerWaalsContact C-NE 3.32Å; L306-R381 HydrophobicContact CB-CB 4.36Å; L306-R381 HydrophobicContact CB-CG 4.05Å; L306-R381 VanDerWaalsContact CB-NE 3.3Å; L306-R381 HydrophobicContact CD1-CB 4.23Å; L306-R381 HydrophobicContact CD1-CG 4.33Å; L306-R381 PolarHBondContact O-NE 2.91Å; L306-R381 PolarHBondContact O-NH1 3.18Å; L306-R381 PolarHBondContact O-NH2 3.48Å; L306-L384 HydrophobicContact CD1-CD1 3.78Å; L306-Y392 HydrophobicContact CD1-CD1 4.01Å; L306-Y392 HydrophobicContact CD1-CE1 3.62Å; L306-Y392 HydrophobicContact CD2-CD1 4.41Å; L306-Y392 HydrophobicContact CG-CD1 4.07Å; L306-Y392 HydrophobicContact CG-CE1 3.89Å; L306-T399 HydrophobicContact CD2-CG2 3.44Å; L306-T399 VanDerWaalsContact CD2-CG2 3.44Å
307A54.1Low54.9Low18 Ų1855.9 Ų55.915%0.14929%0.294CS..  trans-120.1147.3172.700000109.9K217 V221 R381K217-A307 HydrophobicContact CB-CB 4.02Å; K217-A307 WeakPolarHBondContact O-CB 3.42Å; V221-A307 HydrophobicContact CG2-CB 3.89Å; A307-R381 VanDerWaalsContact CA-NH2 3.26Å; A307-R381 PolarHBondContact O-NH2 3.12Å
308N56.6Low55.7Low8 Ų854.1 Ų54.14%0.04329%0.287CS..  trans-73.7130.5-172.1-142.40.4000108.7A310 L311 A377 E378N308-A310 PolarHBondContact O-N 3.28Å; N308-L311 WeakPolarHBondContact ND2-CD1 3.45Å; N308-A377 WeakPolarHBondContact OD1-CB 3.18Å; N308-E378 WeakPolarHBondContact CB-OE1 3.42Å; N308-E378 WeakPolarHBondContact ND2-CG 3.47Å; N308-E378 PolarHBondContact ND2-OE1 3.4Å
309P56.5Low56.4Low1 Ų149.7 Ų49.71%0.00627%0.27CS..SBendtrans-59.2125164.823.9-30.9000108.4L311 N403 T406 L407P309-L311 PolarHBondContact O-N 3.34Å; P309-N403 WeakPolarHBondContact CD-OD1 3.49Å; P309-N403 HydrophobicContact CG-CB 4.21Å; P309-T406 HydrophobicContact CG-CG2 3.82Å; P309-L407 HydrophobicContact CB-CD1 4.28Å; P309-L407 HydrophobicContact CB-CD2 3.69Å; P309-L407 HydrophobicContact CB-CG 3.77Å; P309-L407 HydrophobicContact CG-CG 4.24Å
310A57.7Low57.4Low17 Ų1747 Ų4714%0.1425%0.251CS..  trans-2186.8-173.300000114.9P216 N308 Y411P216-A310 HydrophobicContact CB-CB 3.5Å; P216-A310 HydrophobicContact CG-CB 3.82Å; N308-A310 PolarHBondContact O-N 3.28Å; A310-Y411 WeakPolarHBondContact CB-OH 3.41Å; A310-Y411 PolarHBondContact O-OH 3.21Å; A310-Y411 VanDerWaalsContact O-OH 3.1Å
311L57.5Low58.5Low9 Ų942.4 Ų42.45%0.04723%0.233CC..  trans-77.6130.8156.3-72.4-174.3000105.9N308 P309 D313 I315 L316 T406 T410N308-L311 WeakPolarHBondContact ND2-CD1 3.45Å; P309-L311 PolarHBondContact O-N 3.34Å; L311-D313 PolarHBondContact O-N 3.25Å; L311-I315 HydrophobicContact CB-CB 4.29Å; L311-I315 HydrophobicContact CD1-CG2 4.01Å; L311-I315 HydrophobicContact CD2-CB 4.49Å; L311-I315 HydrophobicContact CD2-CD1 4.34Å; L311-I315 HydrophobicContact CD2-CG2 4.14Å; L311-L316 HydrophobicContact CB-CD2 4.01Å; L311-L316 HydrophobicContact CB-CG 3.97Å; L311-L316 HydrophobicContact CD1-CD2 4.01Å; L311-T406 HydrophobicContact CD2-CG2 3.77Å; L311-T406 HydrophobicContact CG-CG2 4.19Å; L311-T410 HydrophobicContact CD2-CG2 4.2Å; L311-T410 WeakPolarHBondContact CD2-OG1 3.36Å
312P57.2Low59.3Low58 Ų5841.6 Ų41.638%0.37724%0.241SC..  trans-45.1139162.3-25.232000109.6D314 I315 L316P312-D314 PolarHBondContact O-N 2.96Å; P312-I315 HydrophobicContact CB-CG1 4.32Å; P312-I315 HydrophobicContact CG-CD1 4.1Å; P312-I315 HydrophobicContact CG-CG1 4.36Å; P312-I315 PolarHBondContact O-N 3.4Å; P312-L316 PolarHBondContact O-N 2.94Å
313D56Low60.4Low99 Ų9944.7 Ų44.753%0.52926%0.263SS..THydrogen-bonded Turntrans-52.9-26.7-177.9-83.4-42.2000112.6L311 L316 Q317L311-D313 PolarHBondContact O-N 3.25Å; D313-L316 PolarHBondContact O-N 3.42Å; D313-Q317 WeakPolarHBondContact O-CG 3.43Å
314D53Low61.6Low123 Ų12344 Ų4466%0.65826%0.259SS*.THydrogen-bonded Turntrans-64.6-40.2176.1-56.1-30.2000112.5P312 L316 Q317P312-D314 PolarHBondContact O-N 2.96Å; D314-L316 VanDerWaalsContact C-N 3.33Å; D314-Q317 PolarHBondContact O-N 2.92Å
315I58.4Low62.7Low28 Ų2843.8 Ų43.814%0.14425%0.254CS..G310 helixtrans-72.8-30.9178.9-52.2-173.8000110.5L311 P312 Q317 E318 F375L311-I315 HydrophobicContact CB-CB 4.29Å; L311-I315 HydrophobicContact CD1-CG2 4.01Å; L311-I315 HydrophobicContact CD2-CB 4.49Å; L311-I315 HydrophobicContact CD2-CD1 4.34Å; L311-I315 HydrophobicContact CD2-CG2 4.14Å; P312-I315 HydrophobicContact CB-CG1 4.32Å; P312-I315 HydrophobicContact CG-CD1 4.1Å; P312-I315 HydrophobicContact CG-CG1 4.36Å; P312-I315 PolarHBondContact O-N 3.4Å; I315-Q317 PolarHBondContact O-N 3.28Å; I315-Q317 VanDerWaalsContact O-N 3.17Å; I315-E318 PolarHBondContact O-N 2.67Å; I315-F375 HydrophobicContact CG2-CE1 4.14Å; I315-F375 HydrophobicContact CG2-CZ 3.92Å
316L57.9Low64.3Low36 Ų3644 Ų4419%0.18826%0.257CS..G310 helixtrans-65.8-14.6175.9-68.5173.4000113.3L311 P312 D313 D314L311-L316 HydrophobicContact CB-CD2 4.01Å; L311-L316 HydrophobicContact CB-CG 3.97Å; L311-L316 HydrophobicContact CD1-CD2 4.01Å; P312-L316 PolarHBondContact O-N 2.94Å; D313-L316 PolarHBondContact O-N 3.42Å; D314-L316 VanDerWaalsContact C-N 3.33Å
317Q57.9Low65.9Low124 Ų12443.4 Ų43.458%0.57926%0.256SS*.G310 helixtrans-90.2-14.4178.6-64.1-177.435.600113.2D313 D314 I315D313-Q317 WeakPolarHBondContact O-CG 3.43Å; D314-Q317 PolarHBondContact O-N 2.92Å; I315-Q317 PolarHBondContact O-N 3.28Å; I315-Q317 VanDerWaalsContact O-N 3.17Å
318E67.3Low67.6Low78 Ų7845.7 Ų45.736%0.36427%0.266SS..SBendtrans-76.2151.1179.8-66.2-165.5-175.400112.4I315 K371 F375I315-E318 PolarHBondContact O-N 2.67Å; E318-K371 WeakPolarHBondContact OE2-CE 3.42Å; E318-K371 IonicContact OE2-NZ 2.6Å; E318-K371 PolarHBondContact OE2-NZ 2.76Å; E318-F375 HydrophobicContact CB-CE1 4.34Å; E318-F375 HydrophobicContact CB-CZ 3.9Å
319S62.5Low69.2Low63 Ų6347 Ų4744%0.44128%0.276SS..PPolyproline II helixtrans-75.3145.4173.958.40000111.2
320I73.5Confident70.8Confident1 Ų147 Ų471%0.00528%0.275CS..PPolyproline II helixtrans-62.1131.8178.4-58.1-166.3000109.2L289 L293 L324 R325 F375L289-I320 HydrophobicContact CD2-CD1 3.59Å; L289-I320 HydrophobicContact CD2-CG1 4.39Å; L293-I320 HydrophobicContact CD1-CD1 4.35Å; L293-I320 HydrophobicContact CD1-CG1 3.94Å; L293-I320 HydrophobicContact CD2-CD1 4.41Å; L293-I320 HydrophobicContact CG-CG1 4.37Å; I320-L324 HydrophobicContact CG2-CB 3.98Å; I320-L324 HydrophobicContact CG2-CD1 4.37Å; I320-R325 PolarHBondContact O-NE 2.71Å; I320-F375 HydrophobicContact CG2-CB 4.46Å
321P73.8Confident72.5Confident20 Ų2046.6 Ų46.613%0.1327%0.27CS..PPolyproline II helixtrans-52.3140.2178.3-28.635.2000112.8S323 L324 K371 F375P321-S323 PolarHBondContact O-N 3.27Å; P321-S323 VanDerWaalsContact O-N 3.08Å; P321-L324 PolarHBondContact O-N 3.42Å; P321-K371 HydrophobicContact CG-CG 4.1Å; P321-F375 HydrophobicContact CG-CD2 3.73Å; P321-F375 HydrophobicContact CG-CE2 4.04Å
322G70.6Confident74.1Confident44 Ų4449 Ų4945%0.45429%0.288SS..G310 helixtrans-52.5-33.6-178.800000114.2L324 R325G322-L324 PolarHBondContact O-N 2.7Å; G322-R325 PolarHBondContact O-N 3.31Å
323S78.6Confident75.7Confident67 Ų6747.2 Ų47.247%0.46928%0.275SS..G310 helixtrans-63.1-21.2178.853.70000114.4P321 S329P321-S323 PolarHBondContact O-N 3.27Å; P321-S323 VanDerWaalsContact O-N 3.08Å; S323-S329 VanDerWaalsContact O-CB 3.27Å; S323-S329 WeakPolarHBondContact O-CB 2.74Å; S323-S329 PolarHBondContact O-OG 2.92Å
324L81Confident77.5Confident0 Ų042.6 Ų42.60%025%0.25CC..G310 helixtrans-105.3-1.2-178.5-56176.2000113.5I320 P321 G322 F330 F333 P372 F375 R379I320-L324 HydrophobicContact CG2-CB 3.98Å; I320-L324 HydrophobicContact CG2-CD1 4.37Å; P321-L324 PolarHBondContact O-N 3.42Å; G322-L324 PolarHBondContact O-N 2.7Å; L324-F330 HydrophobicContact CB-CD2 4.46Å; L324-F330 HydrophobicContact CD2-CD2 3.94Å; L324-F333 HydrophobicContact CD2-CB 4.26Å; L324-F333 HydrophobicContact CD2-CD1 3.9Å; L324-F333 HydrophobicContact CD2-CD2 4.07Å; L324-F333 HydrophobicContact CD2-CE1 4.29Å; L324-F333 HydrophobicContact CD2-CE2 4.39Å; L324-F333 HydrophobicContact CD2-CG 3.8Å; L324-P372 HydrophobicContact CD1-CB 3.94Å; L324-P372 WeakPolarHBondContact CD1-O 3.35Å; L324-P372 HydrophobicContact CD2-CB 4.18Å; L324-P372 HydrophobicContact CG-CB 4.17Å; L324-F375 HydrophobicContact CD1-CB 4.29Å; L324-R379 HydrophobicContact CB-CG 4.43Å; L324-R379 WeakPolarHBondContact O-CD 3.4Å; L324-R379 PolarHBondContact O-NE 3.48Å
325R82.1Confident79.4Confident59 Ų5941.9 Ų41.922%0.22324%0.238CC..THydrogen-bonded Turntrans-69.1-46.3-171.9-66.6-178.9-173.1164.20.2112.3Y286 I320 G322 R379Y286-R325 HydrophobicContact CD2-CB 3.78Å; Y286-R325 HydrophobicContact CE2-CB 3.45Å; Y286-R325 VanDerWaalsContact CE2-CB 3.45Å; I320-R325 PolarHBondContact O-NE 2.71Å; G322-R325 PolarHBondContact O-N 3.31Å; R325-R379 PolarHBondContact O-NH2 3.05Å
326S85.4Confident81Confident48 Ų4847.7 Ų47.734%0.33626%0.258SS..SBendtrans-75.4141.6176.977.40000110.8D328 S329 F330S326-D328 VanDerWaalsContact C-N 3.28Å; S326-D328 PolarHBondContact O-N 2.77Å; S326-S329 PolarHBondContact O-N 2.76Å; S326-S329 PolarHBondContact O-OG 3.03Å; S326-S329 WeakPolarHBondContact OG-CB 3.32Å; S326-S329 PolarHBondContact OG-N 2.98Å; S326-S329 PolarHBondContact OG-OG 2.85Å; S326-F330 PolarHBondContact O-N 3.48Å
327A87.1Confident82.7Confident11 Ų1146 Ų469%0.09125%0.249CC..Hα-helixtrans-61.1-38.518000000111.5V271 F330 L331 L383V271-A327 HydrophobicContact CG1-CB 3.94Å; V271-A327 HydrophobicContact CG2-CB 4.49Å; A327-F330 PolarHBondContact O-N 3.29Å; A327-L331 WeakPolarHBondContact O-CB 3.38Å; A327-L331 VanDerWaalsContact O-CG 3.29Å; A327-L331 WeakPolarHBondContact O-CG 3.4Å; A327-L331 PolarHBondContact O-N 3.38Å; A327-L383 HydrophobicContact CB-CD1 4.07Å
328D89.7Confident84.4Confident66 Ų6640.2 Ų40.235%0.35322%0.222SC..Hα-helixtrans-67.5-40178.7-54.7-61.5000113.2K275 S326 F330 L331 S332K275-D328 WeakPolarHBondContact CE-OD2 3.39Å; K275-D328 IonicContact NZ-OD1 3.04Å; K275-D328 PolarHBondContact NZ-OD1 2.89Å; K275-D328 IonicContact NZ-OD2 3.98Å; K275-D328 PolarHBondContact NZ-OD2 3Å; S326-D328 VanDerWaalsContact C-N 3.28Å; S326-D328 PolarHBondContact O-N 2.77Å; D328-F330 VanDerWaalsContact C-N 3.3Å; D328-L331 PolarHBondContact O-N 3.42Å; D328-S332 VanDerWaalsContact O-CB 3.25Å; D328-S332 WeakPolarHBondContact O-CB 3.47Å; D328-S332 PolarHBondContact O-N 3.5Å; D328-S332 PolarHBondContact O-OG 3.07Å
329S89Confident85.7Confident36 Ų3640.6 Ų40.625%0.25222%0.224SC..Hα-helixtrans-66.9-39.3177.972.40000110S323 S326 S332 F333S323-S329 VanDerWaalsContact O-CB 3.27Å; S323-S329 WeakPolarHBondContact O-CB 2.74Å; S323-S329 PolarHBondContact O-OG 2.92Å; S326-S329 PolarHBondContact O-N 2.76Å; S326-S329 PolarHBondContact O-OG 3.03Å; S326-S329 WeakPolarHBondContact OG-CB 3.32Å; S326-S329 PolarHBondContact OG-N 2.98Å; S326-S329 PolarHBondContact OG-OG 2.85Å; S329-S332 PolarHBondContact O-N 3.36Å; S329-F333 WeakPolarHBondContact O-CB 3.41Å; S329-F333 PolarHBondContact O-N 3.37Å
330F91.5Very high87.2Confident0 Ų037.8 Ų37.80%020%0.204CC..Hα-helixtrans-64.1-45.9174.3-178.2-117.6000112.8L324 S326 A327 D328 S332 F333 L334 R379 L380 L383L324-F330 HydrophobicContact CB-CD2 4.46Å; L324-F330 HydrophobicContact CD2-CD2 3.94Å; S326-F330 PolarHBondContact O-N 3.48Å; A327-F330 PolarHBondContact O-N 3.29Å; D328-F330 VanDerWaalsContact C-N 3.3Å; F330-S332 PolarHBondContact O-N 3.28Å; F330-F333 WeakPolarHBondContact O-CB 3.26Å; F330-F333 PolarHBondContact O-N 2.93Å; F330-L334 HydrophobicContact CD1-CD1 4.01Å; F330-L334 HydrophobicContact CD2-CG 4.35Å; F330-L334 HydrophobicContact CE1-CD1 3.42Å; F330-L334 VanDerWaalsContact CE1-CD1 3.42Å; F330-L334 HydrophobicContact CE1-CG 4.15Å; F330-L334 HydrophobicContact CE2-CD1 4.08Å; F330-L334 HydrophobicContact CE2-CD2 4.12Å; F330-L334 HydrophobicContact CE2-CG 3.93Å; F330-L334 HydrophobicContact CZ-CD1 3.47Å; F330-L334 VanDerWaalsContact CZ-CD1 3.47Å; F330-L334 HydrophobicContact CZ-CD2 4.09Å; F330-L334 HydrophobicContact CZ-CG 3.85Å; F330-L334 WeakPolarHBondContact O-CG 3.34Å; F330-L334 PolarHBondContact O-N 3.14Å; F330-R379 HydrophobicContact CB-CG 4.37Å; F330-R379 HydrophobicContact CD1-CG 3.86Å; F330-R379 HydrophobicContact CD2-CB 4.17Å; F330-R379 HydrophobicContact CD2-CG 3.46Å; F330-R379 VanDerWaalsContact CD2-CG 3.46Å; F330-R379 HydrophobicContact CE1-CB 4.48Å; F330-R379 HydrophobicContact CE1-CG 3.91Å; F330-R379 HydrophobicContact CE2-CB 3.75Å; F330-R379 HydrophobicContact CE2-CG 3.53Å; F330-R379 HydrophobicContact CG-CG 3.62Å; F330-R379 HydrophobicContact CZ-CB 3.9Å; F330-R379 HydrophobicContact CZ-CG 3.74Å; F330-L380 HydrophobicContact CE1-CB 4.26Å; F330-L380 HydrophobicContact CE1-CD1 4.35Å; F330-L380 HydrophobicContact CZ-CB 4.04Å; F330-L383 HydrophobicContact CD1-CD2 3.84Å; F330-L383 HydrophobicContact CE1-CD2 4.15Å
331L92.2Very high88.1Confident8 Ų837.7 Ų37.74%0.04220%0.203CC..Hα-helixtrans-63.7-41176.6-71.6176.3000112L264 L267 V271 A327 D328 F333 L334 R335L264-L331 HydrophobicContact CD1-CD2 3.72Å; L267-L331 HydrophobicContact CB-CD2 4.25Å; L267-L331 HydrophobicContact CD2-CD2 3.61Å; L267-L331 HydrophobicContact CG-CD2 3.87Å; V271-L331 HydrophobicContact CB-CD1 4.12Å; V271-L331 HydrophobicContact CG1-CD1 4.3Å; V271-L331 HydrophobicContact CG2-CD1 4.04Å; A327-L331 WeakPolarHBondContact O-CB 3.38Å; A327-L331 VanDerWaalsContact O-CG 3.29Å; A327-L331 WeakPolarHBondContact O-CG 3.4Å; A327-L331 PolarHBondContact O-N 3.38Å; D328-L331 PolarHBondContact O-N 3.42Å; L331-F333 VanDerWaalsContact C-N 3.34Å; L331-L334 PolarHBondContact O-N 2.88Å; L331-R335 WeakPolarHBondContact O-CB 3.23Å; L331-R335 PolarHBondContact O-N 3.46Å
332S91Very high89Confident59 Ų5938.6 Ų38.641%0.41321%0.205SC..Hα-helixtrans-63.8-41.5175.1-61.10000111.4D328 S329 F330 R335 R336D328-S332 VanDerWaalsContact O-CB 3.25Å; D328-S332 WeakPolarHBondContact O-CB 3.47Å; D328-S332 PolarHBondContact O-N 3.5Å; D328-S332 PolarHBondContact O-OG 3.07Å; S329-S332 PolarHBondContact O-N 3.36Å; F330-S332 PolarHBondContact O-N 3.28Å; S332-R335 PolarHBondContact O-N 3.39Å; S332-R336 WeakPolarHBondContact O-CG 3.46Å; S332-R336 PolarHBondContact O-N 3.17Å
333F92Very high90.1Very high22 Ų2240.8 Ų40.810%0.09621%0.206CC..Hα-helixtrans-61.1-49.8174.6175.4-86.3000111.6L324 S329 F330 L331 R335 R336 F337 V368 P372 L373 C376L324-F333 HydrophobicContact CD2-CB 4.26Å; L324-F333 HydrophobicContact CD2-CD1 3.9Å; L324-F333 HydrophobicContact CD2-CD2 4.07Å; L324-F333 HydrophobicContact CD2-CE1 4.29Å; L324-F333 HydrophobicContact CD2-CE2 4.39Å; L324-F333 HydrophobicContact CD2-CG 3.8Å; S329-F333 WeakPolarHBondContact O-CB 3.41Å; S329-F333 PolarHBondContact O-N 3.37Å; F330-F333 WeakPolarHBondContact O-CB 3.26Å; F330-F333 PolarHBondContact O-N 2.93Å; L331-F333 VanDerWaalsContact C-N 3.34Å; F333-R335 VanDerWaalsContact C-N 3.3Å; F333-R335 PolarHBondContact O-N 2.92Å; F333-R336 PolarHBondContact O-N 3.24Å; F333-F337 PolarHBondContact O-N 3.3Å; F333-V368 HydrophobicContact CD2-CG2 4.26Å; F333-V368 HydrophobicContact CE2-CB 4.23Å; F333-V368 HydrophobicContact CE2-CG1 3.47Å; F333-V368 VanDerWaalsContact CE2-CG1 3.47Å; F333-V368 HydrophobicContact CE2-CG2 3.86Å; F333-V368 HydrophobicContact CZ-CG1 3.53Å; F333-V368 HydrophobicContact CZ-CG2 4.48Å; F333-P372 HydrophobicContact CE2-CB 3.78Å; F333-P372 HydrophobicContact CZ-CB 3.89Å; F333-L373 HydrophobicContact CE1-CD2 4.08Å; F333-L373 HydrophobicContact CZ-CD2 3.74Å; F333-L373 HydrophobicContact CZ-CG 4.14Å; F333-C376 WeakPolarHBondContact CE1-SG 3.4Å
334L92.4Very high90.6Very high2 Ų238.2 Ų38.21%0.0119%0.186CC..Hα-helixtrans-61.8-38.3177.1-74.1-178.9000111.9L264 F330 L331 F337 L338 L398L264-L334 HydrophobicContact CD1-CB 4.04Å; L264-L334 HydrophobicContact CD1-CD1 4.3Å; F330-L334 HydrophobicContact CD1-CD1 4.01Å; F330-L334 HydrophobicContact CD2-CG 4.35Å; F330-L334 HydrophobicContact CE1-CD1 3.42Å; F330-L334 VanDerWaalsContact CE1-CD1 3.42Å; F330-L334 HydrophobicContact CE1-CG 4.15Å; F330-L334 HydrophobicContact CE2-CD1 4.08Å; F330-L334 HydrophobicContact CE2-CD2 4.12Å; F330-L334 HydrophobicContact CE2-CG 3.93Å; F330-L334 HydrophobicContact CZ-CD1 3.47Å; F330-L334 VanDerWaalsContact CZ-CD1 3.47Å; F330-L334 HydrophobicContact CZ-CD2 4.09Å; F330-L334 HydrophobicContact CZ-CG 3.85Å; F330-L334 WeakPolarHBondContact O-CG 3.34Å; F330-L334 PolarHBondContact O-N 3.14Å; L331-L334 PolarHBondContact O-N 2.88Å; L334-F337 PolarHBondContact O-N 3.1Å; L334-L338 WeakPolarHBondContact O-CB 3.5Å; L334-L338 PolarHBondContact O-N 2.81Å; L334-L398 HydrophobicContact CD1-CD1 4.36Å
335R93.8Very high91.1Very high108 Ų10838.6 Ų38.641%0.40819%0.188SC..Hα-helixtrans-61.7-47175.3-168.3173.1-75.9-112.4-4.2111.1L264 N265 L331 S332 F333 L338 E339L264-R335 HydrophobicContact CD2-CB 3.77Å; L264-R335 HydrophobicContact CD2-CG 4.13Å; N265-R335 PolarHBondContact OD1-NH2 2.82Å; L331-R335 WeakPolarHBondContact O-CB 3.23Å; L331-R335 PolarHBondContact O-N 3.46Å; S332-R335 PolarHBondContact O-N 3.39Å; F333-R335 VanDerWaalsContact C-N 3.3Å; F333-R335 PolarHBondContact O-N 2.92Å; R335-L338 PolarHBondContact O-N 3.29Å; R335-E339 WeakPolarHBondContact O-CG 3.37Å; R335-E339 PolarHBondContact O-N 3.39Å
336R92.5Very high91.4Very high149 Ų14945 Ų4556%0.56221%0.212SC*.Hα-helixtrans-59.8-46.8176.4-72.4176.4-165.8-178.34.2111.8S332 F333 E339 Y340 V366S332-R336 WeakPolarHBondContact O-CG 3.46Å; S332-R336 PolarHBondContact O-N 3.17Å; F333-R336 PolarHBondContact O-N 3.24Å; R336-E339 PolarHBondContact O-N 3.18Å; R336-Y340 PolarHBondContact O-N 3.1Å; R336-V366 HydrophobicContact CB-CG1 3.68Å; R336-V366 HydrophobicContact CG-CG1 4.45Å
337F93Very high91.6Very high2 Ų244.5 Ų44.51%0.00921%0.206CC..Hα-helixtrans-65.4-40.2178.2-174.4-108.3000112.3F333 L334 Y340 V341 F358 L373 L401 F404 A405F333-F337 PolarHBondContact O-N 3.3Å; L334-F337 PolarHBondContact O-N 3.1Å; F337-Y340 WeakPolarHBondContact O-CB 3.48Å; F337-Y340 PolarHBondContact O-N 3.14Å; F337-V341 HydrophobicContact CD1-CG2 4.37Å; F337-V341 HydrophobicContact CE1-CG2 3.98Å; F337-V341 HydrophobicContact CE2-CG2 4.34Å; F337-V341 HydrophobicContact CZ-CG2 3.97Å; F337-V341 WeakPolarHBondContact O-CG2 3.36Å; F337-V341 PolarHBondContact O-N 3.32Å; F337-F358 HydrophobicContact CE2-CE1 4.48Å; F337-L373 HydrophobicContact CD2-CD2 3.71Å; F337-L373 HydrophobicContact CE2-CD1 4.43Å; F337-L373 HydrophobicContact CE2-CD2 3.68Å; F337-L373 HydrophobicContact CG-CD2 4.2Å; F337-L373 HydrophobicContact CZ-CD2 4.15Å; F337-L401 HydrophobicContact CD1-CD1 4.13Å; F337-L401 HydrophobicContact CD1-CD2 4.41Å; F337-L401 HydrophobicContact CD1-CG 4.17Å; F337-L401 HydrophobicContact CE1-CD1 3.8Å; F337-L401 HydrophobicContact CE1-CG 4.12Å; F337-F404 HydrophobicContact CE1-CD1 4.19Å; F337-F404 HydrophobicContact CE1-CE1 4.39Å; F337-F404 HydrophobicContact CZ-CD1 4.05Å; F337-F404 AromaticContact CZ-CE1 3.9Å; F337-F404 HydrophobicContact CZ-CE1 3.9Å; F337-A405 HydrophobicContact CD1-CB 4.42Å; F337-A405 HydrophobicContact CE1-CB 3.71Å; F337-A405 HydrophobicContact CZ-CB 3.9Å
338L94.3Very high91.4Very high2 Ų248.1 Ų48.11%0.0124%0.235CC..Hα-helixtrans-60.9-46.2174.9174.360.6000111.8L257 C260 L264 L334 R335 Y340 V341 K342 L401L257-L338 HydrophobicContact CB-CD1 4.22Å; L257-L338 HydrophobicContact CD2-CD1 3.75Å; L257-L338 HydrophobicContact CG-CD1 4.48Å; C260-L338 HydrophobicContact CB-CD1 3.88Å; C260-L338 HydrophobicContact CB-CD2 4.16Å; L264-L338 HydrophobicContact CD2-CD2 4.26Å; L334-L338 WeakPolarHBondContact O-CB 3.5Å; L334-L338 PolarHBondContact O-N 2.81Å; R335-L338 PolarHBondContact O-N 3.29Å; L338-Y340 VanDerWaalsContact C-N 3.32Å; L338-Y340 PolarHBondContact O-N 3.43Å; L338-V341 PolarHBondContact O-N 3.28Å; L338-K342 WeakPolarHBondContact O-CG 2.77Å; L338-K342 PolarHBondContact O-N 3.24Å; L338-L401 HydrophobicContact CB-CD2 4.12Å; L338-L401 HydrophobicContact CD1-CD2 3.96Å
339E93.1Very high91.3Very high86 Ų8650.7 Ų50.740%0.40225%0.245SC..Hα-helixtrans-66.1-34.3177.4-67.8-51.2132.400112.2R335 R336 K342 L343R335-E339 WeakPolarHBondContact O-CG 3.37Å; R335-E339 PolarHBondContact O-N 3.39Å; R336-E339 PolarHBondContact O-N 3.18Å; E339-K342 PolarHBondContact O-N 3.33Å; E339-K342 IonicContact OE1-NZ 2.68Å; E339-K342 PolarHBondContact OE1-NZ 3.14Å; E339-K342 IonicContact OE2-NZ 3.15Å; E339-L343 WeakPolarHBondContact O-CB 3.16Å; E339-L343 PolarHBondContact O-N 2.49Å
340Y93.9Very high91.3Very high3 Ų350.8 Ų50.81%0.01224%0.244CC..Hα-helixtrans-59.7-50.8170.7179.8-113.3000112R336 F337 L338 K342 L343 R344 F358 D361 C362 K365 V366R336-Y340 PolarHBondContact O-N 3.1Å; F337-Y340 WeakPolarHBondContact O-CB 3.48Å; F337-Y340 PolarHBondContact O-N 3.14Å; L338-Y340 VanDerWaalsContact C-N 3.32Å; L338-Y340 PolarHBondContact O-N 3.43Å; Y340-K342 VanDerWaalsContact C-N 3.29Å; Y340-K342 PolarHBondContact O-N 3.1Å; Y340-L343 WeakPolarHBondContact O-CB 3.39Å; Y340-L343 PolarHBondContact O-N 3.2Å; Y340-L343 VanDerWaalsContact O-N 3.09Å; Y340-R344 HydrophobicContact CD1-CG 4.46Å; Y340-R344 HydrophobicContact CD2-CG 4.47Å; Y340-R344 HydrophobicContact CE1-CG 4.04Å; Y340-R344 HydrophobicContact CE2-CG 4.03Å; Y340-R344 WeakPolarHBondContact O-CG 3.27Å; Y340-R344 PolarHBondContact O-N 2.97Å; Y340-F358 HydrophobicContact CD1-CZ 4.08Å; Y340-F358 HydrophobicContact CE1-CD2 4.33Å; Y340-F358 AromaticContact CE1-CE1 3.94Å; Y340-F358 HydrophobicContact CE1-CE1 3.94Å; Y340-F358 AromaticContact CE1-CE2 3.66Å; Y340-F358 HydrophobicContact CE1-CE2 3.66Å; Y340-F358 AromaticContact CE1-CZ 3.45Å; Y340-F358 HydrophobicContact CE1-CZ 3.45Å; Y340-F358 VanDerWaalsContact CE1-CZ 3.45Å; Y340-F358 PolarHBondContact OH-O 3.32Å; Y340-D361 WeakPolarHBondContact OH-CB 3.42Å; Y340-D361 PolarHBondContact OH-OD2 3.07Å; Y340-C362 HydrophobicContact CD1-CB 4.19Å; Y340-C362 HydrophobicContact CE1-CB 3.58Å; Y340-C362 HydrophobicContact CE2-CB 4.47Å; Y340-C362 PolarHBondContact OH-N 3.14Å; Y340-K365 HydrophobicContact CE2-CB 4.35Å; Y340-K365 HydrophobicContact CE2-CD 4.16Å; Y340-V366 HydrophobicContact CD2-CG2 3.64Å; Y340-V366 HydrophobicContact CG-CG2 4.01Å
341V93.2Very high91.3Very high0 Ų051.6 Ų51.60%025%0.249CC..Hα-helixtrans-63.5-37.8-179.8177.70000110.7I252 L257 F337 L338 R344 L345 F358 L401 F404 L434I252-V341 HydrophobicContact CG2-CG1 4.43Å; L257-V341 HydrophobicContact CD1-CG1 4.03Å; L257-V341 HydrophobicContact CD2-CG1 4.21Å; F337-V341 HydrophobicContact CD1-CG2 4.37Å; F337-V341 HydrophobicContact CE1-CG2 3.98Å; F337-V341 HydrophobicContact CE2-CG2 4.34Å; F337-V341 HydrophobicContact CZ-CG2 3.97Å; F337-V341 WeakPolarHBondContact O-CG2 3.36Å; F337-V341 PolarHBondContact O-N 3.32Å; L338-V341 PolarHBondContact O-N 3.28Å; V341-R344 PolarHBondContact O-N 2.67Å; V341-L345 HydrophobicContact CG1-CD1 4.01Å; V341-L345 PolarHBondContact O-N 3.16Å; V341-F358 HydrophobicContact CG2-CZ 4.5Å; V341-L401 HydrophobicContact CG2-CD1 4.21Å; V341-F404 HydrophobicContact CG2-CE1 4.18Å; V341-L434 HydrophobicContact CG1-CD1 4.32Å
342K93.3Very high91.2Very high39 Ų3956.8 Ų56.817%0.1727%0.273CS..Hα-helixtrans-61.7-43.1171.5-73.7176.2-176.7170.90112.5L257 T261 L338 E339 Y340 R344 L345 R346L257-K342 HydrophobicContact CB-CG 4.3Å; L257-K342 HydrophobicContact CD1-CG 3.78Å; T261-K342 VanDerWaalsContact OG1-CE 3.29Å; T261-K342 WeakPolarHBondContact OG1-CE 3.29Å; T261-K342 PolarHBondContact OG1-NZ 3.14Å; L338-K342 WeakPolarHBondContact O-CG 2.77Å; L338-K342 PolarHBondContact O-N 3.24Å; E339-K342 PolarHBondContact O-N 3.33Å; E339-K342 IonicContact OE1-NZ 2.68Å; E339-K342 PolarHBondContact OE1-NZ 3.14Å; E339-K342 IonicContact OE2-NZ 3.15Å; Y340-K342 VanDerWaalsContact C-N 3.29Å; Y340-K342 PolarHBondContact O-N 3.1Å; K342-R344 VanDerWaalsContact C-N 3.3Å; K342-R344 PolarHBondContact O-N 3.48Å; K342-L345 PolarHBondContact O-N 3.4Å; K342-R346 WeakPolarHBondContact O-CG 3.42Å; K342-R346 PolarHBondContact O-N 3.26Å
343L92.1Very high91.2Very high90 Ų9055.7 Ų55.747%0.47126%0.261SS..Hα-helixtrans-59.6-43.6176.4-179.469.4000110.7E339 Y340 L345 R346E339-L343 WeakPolarHBondContact O-CB 3.16Å; E339-L343 PolarHBondContact O-N 2.49Å; Y340-L343 WeakPolarHBondContact O-CB 3.39Å; Y340-L343 PolarHBondContact O-N 3.2Å; Y340-L343 VanDerWaalsContact O-N 3.09Å; L343-L345 VanDerWaalsContact C-N 3.35Å; L343-L345 PolarHBondContact O-N 2.81Å; L343-R346 PolarHBondContact O-N 3.27Å
344R90.9Very high91.2Very high12 Ų1258.4 Ų58.45%0.04528%0.279CS..Hα-helixtrans-63.7-36.8176.9-66.6-61.5-55.3-164.96.7112.7Y340 V341 K342 R346 I347 E353 F358 D361 I419Y340-R344 HydrophobicContact CD1-CG 4.46Å; Y340-R344 HydrophobicContact CD2-CG 4.47Å; Y340-R344 HydrophobicContact CE1-CG 4.04Å; Y340-R344 HydrophobicContact CE2-CG 4.03Å; Y340-R344 WeakPolarHBondContact O-CG 3.27Å; Y340-R344 PolarHBondContact O-N 2.97Å; V341-R344 PolarHBondContact O-N 2.67Å; K342-R344 VanDerWaalsContact C-N 3.3Å; K342-R344 PolarHBondContact O-N 3.48Å; R344-R346 VanDerWaalsContact C-N 3.29Å; R344-R346 PolarHBondContact O-N 3.29Å; R344-I347 WeakPolarHBondContact O-CD1 3.19Å; R344-I347 VanDerWaalsContact O-CG1 3.26Å; R344-I347 WeakPolarHBondContact O-CG1 2.98Å; R344-I347 PolarHBondContact O-N 3.17Å; R344-E353 IonicContact CZ-OE1 2.66Å; R344-E353 IonicContact CZ-OE2 3.32Å; R344-E353 IonicContact NH1-OE1 3.59Å; R344-E353 PolarHBondContact NH1-OE1 3.19Å; R344-E353 IonicContact NH1-OE2 3.43Å; R344-E353 IonicContact NH2-OE1 3.96Å; R344-E353 PolarHBondContact NH2-OE1 2.9Å; R344-E353 IonicContact NH2-OE2 3.14Å; R344-E353 PolarHBondContact NH2-OE2 2.94Å; R344-F358 HydrophobicContact CG-CE2 4.21Å; R344-D361 IonicContact CZ-OD2 2.83Å; R344-D361 IonicContact NH1-OD2 3.91Å; R344-D361 PolarHBondContact NH1-OD2 2.95Å; R344-I419 HydrophobicContact CB-CD1 4.02Å
345L90.3Very high91.1Very high9 Ų958.3 Ų58.35%0.04728%0.279CS..Hα-helixtrans-74.7-12.3176.2-87148.4000114.6I252 L257 V341 K342 L343 I347 P432 L434I252-L345 HydrophobicContact CG2-CD1 4.21Å; L257-L345 HydrophobicContact CD1-CD1 3.25Å; L257-L345 HydrophobicContact CG-CD1 4.29Å; V341-L345 HydrophobicContact CG1-CD1 4.01Å; V341-L345 PolarHBondContact O-N 3.16Å; K342-L345 PolarHBondContact O-N 3.4Å; L343-L345 VanDerWaalsContact C-N 3.35Å; L343-L345 PolarHBondContact O-N 2.81Å; L345-I347 VanDerWaalsContact C-N 3.28Å; L345-P432 HydrophobicContact CB-CB 4.49Å; L345-P432 HydrophobicContact CD2-CB 3.8Å; L345-P432 HydrophobicContact CD2-CG 4.5Å; L345-P432 VanDerWaalsContact O-CB 3.27Å; L345-P432 WeakPolarHBondContact O-CB 3.35Å; L345-L434 HydrophobicContact CD1-CB 4.34Å; L345-L434 HydrophobicContact CD2-CB 4.06Å; L345-L434 HydrophobicContact CG-CB 4.25Å
346R89.2Confident91.1Very high192 Ų19256.2 Ų56.273%0.72528%0.278SS*.THydrogen-bonded Turntrans-80.2-7.2174.9-73.9176.6-177.1-1782.4113.5K342 L343 R344 A348K342-R346 WeakPolarHBondContact O-CG 3.42Å; K342-R346 PolarHBondContact O-N 3.26Å; L343-R346 PolarHBondContact O-N 3.27Å; R344-R346 VanDerWaalsContact C-N 3.29Å; R344-R346 PolarHBondContact O-N 3.29Å; R346-A348 PolarHBondContact O-N 3.33Å
347I88.2Confident91.1Very high39 Ų3950.9 Ų50.920%0.227%0.266CS..  trans-65.3125.4-179.9-60.3171.8000109.1R344 L345 H349 V351 P421R344-I347 WeakPolarHBondContact O-CD1 3.19Å; R344-I347 VanDerWaalsContact O-CG1 3.26Å; R344-I347 WeakPolarHBondContact O-CG1 2.98Å; R344-I347 PolarHBondContact O-N 3.17Å; L345-I347 VanDerWaalsContact C-N 3.28Å; I347-H349 VanDerWaalsContact C-N 3.34Å; I347-H349 WeakPolarHBondContact CG2-CE1 3.29Å; I347-H349 WeakPolarHBondContact CG2-ND1 3.4Å; I347-H349 WeakPolarHBondContact CG2-O 3.27Å; I347-V351 HydrophobicContact CD1-CG2 4.14Å; I347-V351 HydrophobicContact CG2-CG2 3.8Å; I347-P421 WeakPolarHBondContact O-CB 3.49Å
348A84.8Confident91Very high86 Ų8650.9 Ų50.971%0.71127%0.266SS*.SBendtrans-84.6-3.8-174.100000114.5R346 P421R346-A348 PolarHBondContact O-N 3.33Å; A348-P421 VanDerWaalsContact C-CG 3.48Å; A348-P421 VanDerWaalsContact O-CG 3.3Å; A348-P421 WeakPolarHBondContact O-CG 3.46Å
349H87.5Confident90.9Very high120 Ų12051.8 Ų51.856%0.55627%0.271SS*.SBendtrans-117.4166173.663.9-91.5000110.3I347I347-H349 VanDerWaalsContact C-N 3.34Å; I347-H349 WeakPolarHBondContact CG2-CE1 3.29Å; I347-H349 WeakPolarHBondContact CG2-ND1 3.4Å; I347-H349 WeakPolarHBondContact CG2-O 3.27Å
350V88.3Confident90.9Very high39 Ų3955 Ų5524%0.23628%0.279CS..  trans-83.1131.8-176.7173.50000110I419 P421 F422 R632V350-I419 WeakPolarHBondContact CA-O 3.41Å; V350-I419 WeakPolarHBondContact CG1-O 3.33Å; V350-P421 VanDerWaalsContact CG2-CD 3.44Å; V350-P421 HydrophobicContact CG2-CG 4.27Å; V350-F422 HydrophobicContact CG2-CZ 4.36Å; V350-R632 VanDerWaalsContact CG1-CZ 3.48Å
351V90.8Very high90.8Very high17 Ų1756 Ų5610%0.10329%0.285CS..EExtended strand (participates in β ladder)trans-119.2131.4-177.7-178.20000109.5I347 E353 I418 I419I347-V351 HydrophobicContact CD1-CG2 4.14Å; I347-V351 HydrophobicContact CG2-CG2 3.8Å; V351-E353 HydrophobicContact CG1-CG 3.74Å; V351-I418 WeakPolarHBondContact O-CA 2.99Å; V351-I419 HydrophobicContact CB-CB 4.33Å; V351-I419 PolarHBondContact N-O 2.8Å; V351-I419 VanDerWaalsContact N-O 3.11Å; V351-I419 PolarHBondContact O-N 3.19Å
352H90.9Very high90.7Very high116 Ų11656 Ų5654%0.53729%0.285SS..EExtended strand (participates in β ladder)trans-117.1116.8173.2-178.3-79.2000108.7C416H352-C416 PolarHBondContact CD2-SG 3.47Å; H352-C416 PolarHBondContact NE2-SG 3.35Å
353E90.4Very high90.6Very high36 Ų3657.9 Ų57.917%0.16830%0.296CS..EExtended strand (participates in β ladder)trans-132.1150.8-174.4-83.2176.5179.900112.1R344 V351 L417R344-E353 IonicContact CZ-OE1 2.66Å; R344-E353 IonicContact CZ-OE2 3.32Å; R344-E353 IonicContact NH1-OE1 3.59Å; R344-E353 PolarHBondContact NH1-OE1 3.19Å; R344-E353 IonicContact NH1-OE2 3.43Å; R344-E353 IonicContact NH2-OE1 3.96Å; R344-E353 PolarHBondContact NH2-OE1 2.9Å; R344-E353 IonicContact NH2-OE2 3.14Å; R344-E353 PolarHBondContact NH2-OE2 2.94Å; V351-E353 HydrophobicContact CG1-CG 3.74Å; E353-L417 PolarHBondContact N-O 3.34Å; E353-L417 PolarHBondContact O-N 3.15Å
354T91.8Very high90.6Very high79 Ų7960.3 Ų60.349%0.48531%0.305SS..  trans-82.2153.2167640000109.7V356 A357 F358T354-V356 PolarHBondContact O-N 3.09Å; T354-V356 VanDerWaalsContact O-N 3.13Å; T354-A357 PolarHBondContact O-N 3.46Å; T354-A357 PolarHBondContact OG1-N 2.93Å; T354-F358 PolarHBondContact O-N 3.32Å
355P91.8Very high90.6Very high1 Ų165.2 Ų65.21%0.00633%0.327CS..Hα-helixtrans-55-33.6175.6-24.431.9000112.8F358 L359 V408 F415 F436P355-F358 PolarHBondContact O-N 3.03Å; P355-L359 WeakPolarHBondContact O-CB 3.43Å; P355-L359 VanDerWaalsContact O-CG 3.27Å; P355-L359 WeakPolarHBondContact O-CG 3.39Å; P355-L359 PolarHBondContact O-N 3.07Å; P355-V408 HydrophobicContact CB-CG1 4.41Å; P355-F415 VanDerWaalsContact CD-O 3.3Å; P355-F415 WeakPolarHBondContact CD-O 3.32Å; P355-F415 HydrophobicContact CG-CB 3.8Å; P355-F436 HydrophobicContact CG-CE2 4.18Å
356V92.2Very high90.5Very high64 Ų6466.2 Ų66.239%0.38833%0.333SS..Hα-helixtrans-67.3-41.8177.8-178.30000111.8T354 L359 R360 T412T354-V356 PolarHBondContact O-N 3.09Å; T354-V356 VanDerWaalsContact O-N 3.13Å; V356-L359 PolarHBondContact O-N 3.17Å; V356-R360 WeakPolarHBondContact O-CB 3.37Å; V356-R360 PolarHBondContact O-N 2.72Å; V356-T412 HydrophobicContact CG2-CG2 3.93Å
357A92.5Very high90.5Very high37 Ų3761.9 Ų61.931%0.30633%0.331SS..Hα-helixtrans-64.5-43.5175.900000111T354 R360 D361T354-A357 PolarHBondContact O-N 3.46Å; T354-A357 PolarHBondContact OG1-N 2.93Å; A357-R360 PolarHBondContact O-N 3.42Å; A357-D361 PolarHBondContact O-N 3.31Å
358F92.5Very high90.4Very high1 Ų160.3 Ų60.30%0.00432%0.323CS..Hα-helixtrans-61.1-45.2176.2-179.2-92.7000112.4F337 Y340 V341 R344 T354 P355 R360 D361 C362 F404 V408 L417F337-F358 HydrophobicContact CE2-CE1 4.48Å; Y340-F358 HydrophobicContact CD1-CZ 4.08Å; Y340-F358 HydrophobicContact CE1-CD2 4.33Å; Y340-F358 AromaticContact CE1-CE1 3.94Å; Y340-F358 HydrophobicContact CE1-CE1 3.94Å; Y340-F358 AromaticContact CE1-CE2 3.66Å; Y340-F358 HydrophobicContact CE1-CE2 3.66Å; Y340-F358 AromaticContact CE1-CZ 3.45Å; Y340-F358 HydrophobicContact CE1-CZ 3.45Å; Y340-F358 VanDerWaalsContact CE1-CZ 3.45Å; Y340-F358 PolarHBondContact OH-O 3.32Å; V341-F358 HydrophobicContact CG2-CZ 4.5Å; R344-F358 HydrophobicContact CG-CE2 4.21Å; T354-F358 PolarHBondContact O-N 3.32Å; P355-F358 PolarHBondContact O-N 3.03Å; F358-R360 VanDerWaalsContact C-N 3.31Å; F358-R360 PolarHBondContact O-N 3.04Å; F358-D361 PolarHBondContact O-N 3.03Å; F358-C362 VanDerWaalsContact O-CB 3.29Å; F358-C362 WeakPolarHBondContact O-CB 3.45Å; F358-C362 PolarHBondContact O-N 3.41Å; F358-F404 HydrophobicContact CE1-CE1 4.25Å; F358-F404 HydrophobicContact CE1-CZ 4.08Å; F358-F404 HydrophobicContact CZ-CE1 4.05Å; F358-F404 AromaticContact CZ-CZ 3.89Å; F358-F404 HydrophobicContact CZ-CZ 3.89Å; F358-V408 HydrophobicContact CD1-CG1 3.74Å; F358-V408 HydrophobicContact CE1-CG1 4.19Å; F358-L417 HydrophobicContact CB-CD1 4.17Å; F358-L417 HydrophobicContact CD1-CD1 4.27Å; F358-L417 HydrophobicContact CD2-CD1 3.45Å; F358-L417 VanDerWaalsContact CD2-CD1 3.45Å; F358-L417 HydrophobicContact CD2-CD2 4.45Å; F358-L417 HydrophobicContact CE2-CD1 3.76Å; F358-L417 HydrophobicContact CG-CD1 3.71Å; F358-L417 HydrophobicContact CZ-CD1 4.29Å
359L92.1Very high90.5Very high21 Ų2160.6 Ų60.611%0.1131%0.313CS..Hα-helixtrans-64-35.8177.3-73.5172.1000112.4P355 V356 C362 L363 R370 L373 V408P355-L359 WeakPolarHBondContact O-CB 3.43Å; P355-L359 VanDerWaalsContact O-CG 3.27Å; P355-L359 WeakPolarHBondContact O-CG 3.39Å; P355-L359 PolarHBondContact O-N 3.07Å; V356-L359 PolarHBondContact O-N 3.17Å; L359-C362 PolarHBondContact O-N 3.34Å; L359-L363 WeakPolarHBondContact O-CB 3.23Å; L359-L363 PolarHBondContact O-N 3.42Å; L359-R370 HydrophobicContact CD1-CG 4.26Å; L359-L373 HydrophobicContact CD2-CD1 3.63Å; L359-V408 HydrophobicContact CD2-CG1 3.97Å; L359-V408 HydrophobicContact CG-CG1 3.98Å
360R92.5Very high90.4Very high154 Ų15460 Ų6058%0.58131%0.306SS*.Hα-helixtrans-66.2-47.9175.6-169.7-172.9-53.4-179.62.8111.5V356 A357 F358 C362 L363 E364V356-R360 WeakPolarHBondContact O-CB 3.37Å; V356-R360 PolarHBondContact O-N 2.72Å; A357-R360 PolarHBondContact O-N 3.42Å; F358-R360 VanDerWaalsContact C-N 3.31Å; F358-R360 PolarHBondContact O-N 3.04Å; R360-C362 VanDerWaalsContact C-N 3.27Å; R360-C362 PolarHBondContact O-N 3.14Å; R360-L363 PolarHBondContact O-N 3.39Å; R360-E364 WeakPolarHBondContact O-CG 3.25Å; R360-E364 PolarHBondContact O-N 3.31Å
361D92.1Very high90.4Very high24 Ų2463.1 Ų63.113%0.12832%0.316CS..Hα-helixtrans-62.4-35.6176.2-175.866.8000111.7Y340 R344 A357 F358 E364 K365Y340-D361 WeakPolarHBondContact OH-CB 3.42Å; Y340-D361 PolarHBondContact OH-OD2 3.07Å; R344-D361 IonicContact CZ-OD2 2.83Å; R344-D361 IonicContact NH1-OD2 3.91Å; R344-D361 PolarHBondContact NH1-OD2 2.95Å; A357-D361 PolarHBondContact O-N 3.31Å; F358-D361 PolarHBondContact O-N 3.03Å; D361-E364 PolarHBondContact O-N 2.96Å; D361-K365 WeakPolarHBondContact O-CB 3.47Å; D361-K365 PolarHBondContact O-N 3.33Å; D361-K365 WeakPolarHBondContact OD1-CE 3.5Å; D361-K365 IonicContact OD1-NZ 3.13Å; D361-K365 PolarHBondContact OD1-NZ 3.43Å; D361-K365 IonicContact OD2-NZ 3.87Å; D361-K365 PolarHBondContact OD2-NZ 3.24Å
362C91.1Very high90.2Very high0 Ų062.8 Ų62.80%032%0.315CS..Hα-helixtrans-64.9-42.7175.1-167.80000112Y340 F358 L359 R360 V366Y340-C362 HydrophobicContact CD1-CB 4.19Å; Y340-C362 HydrophobicContact CE1-CB 3.58Å; Y340-C362 HydrophobicContact CE2-CB 4.47Å; Y340-C362 PolarHBondContact OH-N 3.14Å; F358-C362 VanDerWaalsContact O-CB 3.29Å; F358-C362 WeakPolarHBondContact O-CB 3.45Å; F358-C362 PolarHBondContact O-N 3.41Å; L359-C362 PolarHBondContact O-N 3.34Å; R360-C362 VanDerWaalsContact C-N 3.27Å; R360-C362 PolarHBondContact O-N 3.14Å; C362-V366 PolarHBondContact O-N 3.07Å
363L91.8Very high90Very high79 Ų7957.4 Ų57.441%0.41429%0.289SS..Hα-helixtrans-64.4-45.3175.8-177.862.5000111.3L359 R360 C367 D369L359-L363 WeakPolarHBondContact O-CB 3.23Å; L359-L363 PolarHBondContact O-N 3.42Å; R360-L363 PolarHBondContact O-N 3.39Å; L363-C367 WeakPolarHBondContact O-CA 3.38Å; L363-C367 PolarHBondContact O-N 2.84Å; L363-D369 VanDerWaalsContact CD1-OD1 3.32Å; L363-D369 WeakPolarHBondContact CD1-OD1 3.23Å
364E92Very high89.8Confident141 Ų14156.7 Ų56.766%0.65929%0.286SS*.Hα-helixtrans-66.1-41.2-178.5-73.1172.8-16700113R360 D361R360-E364 WeakPolarHBondContact O-CG 3.25Å; R360-E364 PolarHBondContact O-N 3.31Å; D361-E364 PolarHBondContact O-N 2.96Å
365K90.4Very high89.5Confident115 Ų11553 Ų5350%0.526%0.263SS..Hα-helixtrans-87.8-33-175.2-73.6175.5176.4150.60114.4Y340 D361Y340-K365 HydrophobicContact CE2-CB 4.35Å; Y340-K365 HydrophobicContact CE2-CD 4.16Å; D361-K365 WeakPolarHBondContact O-CB 3.47Å; D361-K365 PolarHBondContact O-N 3.33Å; D361-K365 WeakPolarHBondContact OD1-CE 3.5Å; D361-K365 IonicContact OD1-NZ 3.13Å; D361-K365 PolarHBondContact OD1-NZ 3.43Å; D361-K365 IonicContact OD2-NZ 3.87Å; D361-K365 PolarHBondContact OD2-NZ 3.24Å
366V88.5Confident89.2Confident30 Ų3053 Ų5318%0.18226%0.264CS..Hα-helixtrans-125.8-3.4-168.1-171.50000112.7R336 Y340 C362 V368R336-V366 HydrophobicContact CB-CG1 3.68Å; R336-V366 HydrophobicContact CG-CG1 4.45Å; Y340-V366 HydrophobicContact CD2-CG2 3.64Å; Y340-V366 HydrophobicContact CG-CG2 4.01Å; C362-V366 PolarHBondContact O-N 3.07Å; V366-V368 HydrophobicContact CB-CG2 4.42Å; V366-V368 HydrophobicContact CG1-CG2 3.9Å; V366-V368 PolarHBondContact O-N 3.46Å
367C88.5Confident88.9Confident101 Ų10150.2 Ų50.268%0.68225%0.247SC*.  trans55.639.4-179.9-54.10000112.3L363L363-C367 WeakPolarHBondContact O-CA 3.38Å; L363-C367 PolarHBondContact O-N 2.84Å
368V85.9Confident88.2Confident5 Ų549.9 Ų49.93%0.0324%0.24CC..  trans-102.4113.71771670000109.5F333 V366 L373F333-V368 HydrophobicContact CD2-CG2 4.26Å; F333-V368 HydrophobicContact CE2-CB 4.23Å; F333-V368 HydrophobicContact CE2-CG1 3.47Å; F333-V368 VanDerWaalsContact CE2-CG1 3.47Å; F333-V368 HydrophobicContact CE2-CG2 3.86Å; F333-V368 HydrophobicContact CZ-CG1 3.53Å; F333-V368 HydrophobicContact CZ-CG2 4.48Å; V366-V368 HydrophobicContact CB-CG2 4.42Å; V366-V368 HydrophobicContact CG1-CG2 3.9Å; V366-V368 PolarHBondContact O-N 3.46Å; V368-L373 HydrophobicContact CG1-CD1 3.86Å; V368-L373 HydrophobicContact CG1-CD2 3.86Å; V368-L373 HydrophobicContact CG1-CG 3.7Å
369D86.4Confident87.9Confident93 Ų9349.9 Ų49.950%0.49724%0.239SC..  trans-70.3155.7177-69-42.6000112.8L363 K371 P372L363-D369 VanDerWaalsContact CD1-OD1 3.32Å; L363-D369 WeakPolarHBondContact CD1-OD1 3.23Å; D369-K371 PolarHBondContact O-N 3.4Å; D369-P372 HydrophobicContact CB-CG 4.19Å; D369-P372 WeakPolarHBondContact O-CD 3.43Å
370R87.2Confident87.7Confident107 Ų10749 Ų4940%0.40424%0.235SC..Hα-helixtrans-59.7-42.3175.1179.5-178172164.42.8112.7L359 L373 Q374 S409 T410L359-R370 HydrophobicContact CD1-CG 4.26Å; R370-L373 WeakPolarHBondContact O-CB 3.23Å; R370-L373 PolarHBondContact O-N 3.26Å; R370-Q374 PolarHBondContact O-N 3.3Å; R370-S409 PolarHBondContact NE-O 3.13Å; R370-S409 PolarHBondContact NH2-O 3.43Å; R370-T410 PolarHBondContact NH2-O 2.94Å
371K86.2Confident87.2Confident104 Ų10443.5 Ų43.545%0.45221%0.214SC..Hα-helixtrans-64-47.8-171.8-174.3168.9-172.8156.30112.7E318 P321 D369 L373 Q374 F375E318-K371 WeakPolarHBondContact OE2-CE 3.42Å; E318-K371 IonicContact OE2-NZ 2.6Å; E318-K371 PolarHBondContact OE2-NZ 2.76Å; P321-K371 HydrophobicContact CG-CG 4.1Å; D369-K371 PolarHBondContact O-N 3.4Å; K371-L373 VanDerWaalsContact C-N 3.29Å; K371-L373 PolarHBondContact O-N 3.15Å; K371-Q374 WeakPolarHBondContact O-CB 3.37Å; K371-Q374 PolarHBondContact O-N 3.37Å; K371-F375 HydrophobicContact CG-CE2 4.09Å; K371-F375 VanDerWaalsContact O-CD2 3.27Å; K371-F375 WeakPolarHBondContact O-CD2 3.41Å
372P87.5Confident86.7Confident11 Ų1143.6 Ų43.67%0.07122%0.217CC..Hα-helixtrans-55.3-37.7171.1-28.435.8000114.6L324 F333 D369 Q374 F375 C376L324-P372 HydrophobicContact CD1-CB 3.94Å; L324-P372 WeakPolarHBondContact CD1-O 3.35Å; L324-P372 HydrophobicContact CD2-CB 4.18Å; L324-P372 HydrophobicContact CG-CB 4.17Å; F333-P372 HydrophobicContact CE2-CB 3.78Å; F333-P372 HydrophobicContact CZ-CB 3.89Å; D369-P372 HydrophobicContact CB-CG 4.19Å; D369-P372 WeakPolarHBondContact O-CD 3.43Å; P372-Q374 VanDerWaalsContact C-N 3.26Å; P372-Q374 PolarHBondContact O-N 3.38Å; P372-F375 PolarHBondContact O-N 3.2Å; P372-C376 PolarHBondContact O-SG 3.35Å; P372-C376 VanDerWaalsContact O-SG 3.35Å
373L87.8Confident86.5Confident2 Ų243.6 Ų43.61%0.0122%0.217CC..Hα-helixtrans-62.1-32.8179.5-71170.9000112.8F333 F337 L359 V368 R370 K371 F375 C376 A405 T406F333-L373 HydrophobicContact CE1-CD2 4.08Å; F333-L373 HydrophobicContact CZ-CD2 3.74Å; F333-L373 HydrophobicContact CZ-CG 4.14Å; F337-L373 HydrophobicContact CD2-CD2 3.71Å; F337-L373 HydrophobicContact CE2-CD1 4.43Å; F337-L373 HydrophobicContact CE2-CD2 3.68Å; F337-L373 HydrophobicContact CG-CD2 4.2Å; F337-L373 HydrophobicContact CZ-CD2 4.15Å; L359-L373 HydrophobicContact CD2-CD1 3.63Å; V368-L373 HydrophobicContact CG1-CD1 3.86Å; V368-L373 HydrophobicContact CG1-CD2 3.86Å; V368-L373 HydrophobicContact CG1-CG 3.7Å; R370-L373 WeakPolarHBondContact O-CB 3.23Å; R370-L373 PolarHBondContact O-N 3.26Å; K371-L373 VanDerWaalsContact C-N 3.29Å; K371-L373 PolarHBondContact O-N 3.15Å; L373-F375 VanDerWaalsContact C-N 3.32Å; L373-F375 PolarHBondContact O-N 3.44Å; L373-C376 WeakPolarHBondContact O-CB 3.34Å; L373-C376 PolarHBondContact O-N 3.35Å; L373-A405 HydrophobicContact CD2-CB 3.9Å; L373-T406 WeakPolarHBondContact O-CA 3.22Å; L373-T406 PolarHBondContact O-N 3.04Å; L373-T406 PolarHBondContact O-OG1 2.93Å
374Q85.3Confident86.2Confident22 Ų2239.9 Ų39.910%0.10320%0.197CC..Hα-helixtrans-61.8-39.4179.4-68.3174.9-26.200112.2R370 K371 P372 C376 T406 S409R370-Q374 PolarHBondContact O-N 3.3Å; K371-Q374 WeakPolarHBondContact O-CB 3.37Å; K371-Q374 PolarHBondContact O-N 3.37Å; P372-Q374 VanDerWaalsContact C-N 3.26Å; P372-Q374 PolarHBondContact O-N 3.38Å; Q374-C376 PolarHBondContact O-N 2.95Å; Q374-T406 VanDerWaalsContact O-CG2 3.27Å; Q374-T406 WeakPolarHBondContact O-CG2 3.33Å; Q374-T406 PolarHBondContact O-OG1 3.43Å; Q374-S409 VanDerWaalsContact CA-OG 3.23Å; Q374-S409 WeakPolarHBondContact CA-OG 3.49Å; Q374-S409 WeakPolarHBondContact CG-OG 3.42Å; Q374-S409 PolarHBondContact N-OG 3.28Å; Q374-S409 VanDerWaalsContact N-OG 3.15Å; Q374-S409 PolarHBondContact NE2-O 2.79Å; Q374-S409 VanDerWaalsContact NE2-O 3.08Å
375F84.8Confident85.6Confident1 Ų135.6 Ų35.60%0.00418%0.177CC..THydrogen-bonded Turntrans-90.35.5-175.5-59.8-82.8000114.1I315 E318 I320 P321 L324 K371 P372 L373 A377 E378 R379I315-F375 HydrophobicContact CG2-CE1 4.14Å; I315-F375 HydrophobicContact CG2-CZ 3.92Å; E318-F375 HydrophobicContact CB-CE1 4.34Å; E318-F375 HydrophobicContact CB-CZ 3.9Å; I320-F375 HydrophobicContact CG2-CB 4.46Å; P321-F375 HydrophobicContact CG-CD2 3.73Å; P321-F375 HydrophobicContact CG-CE2 4.04Å; L324-F375 HydrophobicContact CD1-CB 4.29Å; K371-F375 HydrophobicContact CG-CE2 4.09Å; K371-F375 VanDerWaalsContact O-CD2 3.27Å; K371-F375 WeakPolarHBondContact O-CD2 3.41Å; P372-F375 PolarHBondContact O-N 3.2Å; L373-F375 VanDerWaalsContact C-N 3.32Å; L373-F375 PolarHBondContact O-N 3.44Å; F375-A377 PolarHBondContact O-N 3.14Å; F375-E378 PolarHBondContact O-N 2.95Å; F375-R379 WeakPolarHBondContact O-CB 3.3Å; F375-R379 PolarHBondContact O-N 2.84Å
376C86.7Confident85.3Confident1 Ų130.6 Ų30.61%0.00716%0.156CC..Hα-helixtrans-60.1-46.8-175.1-77.90000113.7F333 P372 L373 Q374 R379 L380 C402 A405F333-C376 WeakPolarHBondContact CE1-SG 3.4Å; P372-C376 PolarHBondContact O-SG 3.35Å; P372-C376 VanDerWaalsContact O-SG 3.35Å; L373-C376 WeakPolarHBondContact O-CB 3.34Å; L373-C376 PolarHBondContact O-N 3.35Å; Q374-C376 PolarHBondContact O-N 2.95Å; C376-R379 PolarHBondContact O-N 2.73Å; C376-L380 WeakPolarHBondContact O-CB 3.34Å; C376-L380 PolarHBondContact O-N 2.8Å; C376-C402 HydrophobicContact CB-CB 4.31Å; C376-A405 HydrophobicContact CB-CB 4.18Å
377A84.4Confident85.1Confident6 Ų630.3 Ų30.35%0.0515%0.154CC..Hα-helixtrans-64.5-40.1-179.600000112.7N308 F375 R381 C402 T406N308-A377 WeakPolarHBondContact OD1-CB 3.18Å; F375-A377 PolarHBondContact O-N 3.14Å; A377-R381 PolarHBondContact O-N 3.46Å; A377-R381 VanDerWaalsContact O-N 3.13Å; A377-C402 HydrophobicContact CB-CB 4.5Å; A377-T406 PolarHBondContact N-OG1 3.44Å
378E79.7Confident84.8Confident30 Ų3027.6 Ų27.614%0.1413%0.131CC..Hα-helixtrans-67.9-44.2174.8-71.4-60.514500112.3N308 F375 L380 R381 S382N308-E378 WeakPolarHBondContact CB-OE1 3.42Å; N308-E378 WeakPolarHBondContact ND2-CG 3.47Å; N308-E378 PolarHBondContact ND2-OE1 3.4Å; F375-E378 PolarHBondContact O-N 2.95Å; E378-L380 VanDerWaalsContact C-N 3.34Å; E378-L380 PolarHBondContact O-N 3Å; E378-R381 VanDerWaalsContact CD-NH1 3.31Å; E378-R381 WeakPolarHBondContact O-CB 3.47Å; E378-R381 PolarHBondContact O-N 3.17Å; E378-R381 IonicContact OE1-CZ 3.6Å; E378-R381 IonicContact OE1-NH1 3.52Å; E378-R381 PolarHBondContact OE1-NH1 2.85Å; E378-R381 IonicContact OE1-NH2 2.81Å; E378-R381 PolarHBondContact OE1-NH2 3.46Å; E378-R381 IonicContact OE2-CZ 3.95Å; E378-R381 IonicContact OE2-NH1 3.33Å; E378-R381 PolarHBondContact OE2-NH1 2.86Å; E378-S382 PolarHBondContact O-N 2.7Å
379R86.1Confident84.5Confident1 Ų129 Ų290%0.00414%0.138CC..Hα-helixtrans-62.9-41.9179.1-178.963.8-171.5113-18.8111.6E285 L324 R325 F330 F375 C376 R381 S382 L383E285-R379 IonicContact OE1-CZ 3.34Å; E285-R379 IonicContact OE1-NH1 2.65Å; E285-R379 PolarHBondContact OE1-NH1 3.2Å; E285-R379 IonicContact OE1-NH2 2.81Å; E285-R379 IonicContact OE2-CZ 2.64Å; E285-R379 IonicContact OE2-NH1 2.7Å; E285-R379 PolarHBondContact OE2-NH1 3.07Å; E285-R379 IonicContact OE2-NH2 3.21Å; E285-R379 PolarHBondContact OE2-NH2 3.42Å; L324-R379 HydrophobicContact CB-CG 4.43Å; L324-R379 WeakPolarHBondContact O-CD 3.4Å; L324-R379 PolarHBondContact O-NE 3.48Å; R325-R379 PolarHBondContact O-NH2 3.05Å; F330-R379 HydrophobicContact CB-CG 4.37Å; F330-R379 HydrophobicContact CD1-CG 3.86Å; F330-R379 HydrophobicContact CD2-CB 4.17Å; F330-R379 HydrophobicContact CD2-CG 3.46Å; F330-R379 VanDerWaalsContact CD2-CG 3.46Å; F330-R379 HydrophobicContact CE1-CB 4.48Å; F330-R379 HydrophobicContact CE1-CG 3.91Å; F330-R379 HydrophobicContact CE2-CB 3.75Å; F330-R379 HydrophobicContact CE2-CG 3.53Å; F330-R379 HydrophobicContact CG-CG 3.62Å; F330-R379 HydrophobicContact CZ-CB 3.9Å; F330-R379 HydrophobicContact CZ-CG 3.74Å; F375-R379 WeakPolarHBondContact O-CB 3.3Å; F375-R379 PolarHBondContact O-N 2.84Å; C376-R379 PolarHBondContact O-N 2.73Å; R379-R381 VanDerWaalsContact C-N 3.35Å; R379-S382 PolarHBondContact O-N 3.29Å; R379-L383 WeakPolarHBondContact O-CB 3.46Å; R379-L383 PolarHBondContact O-N 3.32Å
380L87.9Confident83.7Confident2 Ų225.6 Ų25.61%0.0112%0.123CC..Hα-helixtrans-60.8-45.3175.4179.464.5000110.9L267 F330 C376 E378 L383 L384 L398 C402L267-L380 HydrophobicContact CD2-CD1 4.22Å; F330-L380 HydrophobicContact CE1-CB 4.26Å; F330-L380 HydrophobicContact CE1-CD1 4.35Å; F330-L380 HydrophobicContact CZ-CB 4.04Å; C376-L380 WeakPolarHBondContact O-CB 3.34Å; C376-L380 PolarHBondContact O-N 2.8Å; E378-L380 VanDerWaalsContact C-N 3.34Å; E378-L380 PolarHBondContact O-N 3Å; L380-L383 PolarHBondContact O-N 3.03Å; L380-L384 HydrophobicContact CD1-CD1 4.18Å; L380-L384 HydrophobicContact CD1-CG 4.12Å; L380-L384 HydrophobicContact CG-CD1 3.98Å; L380-L384 HydrophobicContact CG-CG 4.32Å; L380-L384 WeakPolarHBondContact O-CG 3.11Å; L380-L384 PolarHBondContact O-N 3.26Å; L380-L398 HydrophobicContact CD1-CD2 3.84Å; L380-L398 HydrophobicContact CD1-CG 4.32Å; L380-L398 HydrophobicContact CD2-CD2 4.46Å; L380-L398 HydrophobicContact CD2-CG 4.1Å; L380-C402 HydrophobicContact CD2-CB 4.09Å
381R80.9Confident83.1Confident39 Ų3923.2 Ų23.215%0.14712%0.118CC..Hα-helixtrans-59.9-48.2177.8-177.8-176.2-50.6147.512112.3L306 A307 A377 E378 R379 L383 L384 H385L306-R381 VanDerWaalsContact C-CZ 3.41Å; L306-R381 VanDerWaalsContact C-NE 3.32Å; L306-R381 HydrophobicContact CB-CB 4.36Å; L306-R381 HydrophobicContact CB-CG 4.05Å; L306-R381 VanDerWaalsContact CB-NE 3.3Å; L306-R381 HydrophobicContact CD1-CB 4.23Å; L306-R381 HydrophobicContact CD1-CG 4.33Å; L306-R381 PolarHBondContact O-NE 2.91Å; L306-R381 PolarHBondContact O-NH1 3.18Å; L306-R381 PolarHBondContact O-NH2 3.48Å; A307-R381 VanDerWaalsContact CA-NH2 3.26Å; A307-R381 PolarHBondContact O-NH2 3.12Å; A377-R381 PolarHBondContact O-N 3.46Å; A377-R381 VanDerWaalsContact O-N 3.13Å; E378-R381 VanDerWaalsContact CD-NH1 3.31Å; E378-R381 WeakPolarHBondContact O-CB 3.47Å; E378-R381 PolarHBondContact O-N 3.17Å; E378-R381 IonicContact OE1-CZ 3.6Å; E378-R381 IonicContact OE1-NH1 3.52Å; E378-R381 PolarHBondContact OE1-NH1 2.85Å; E378-R381 IonicContact OE1-NH2 2.81Å; E378-R381 PolarHBondContact OE1-NH2 3.46Å; E378-R381 IonicContact OE2-CZ 3.95Å; E378-R381 IonicContact OE2-NH1 3.33Å; E378-R381 PolarHBondContact OE2-NH1 2.86Å; R379-R381 VanDerWaalsContact C-N 3.35Å; R381-L383 VanDerWaalsContact C-N 3.28Å; R381-L383 PolarHBondContact O-N 3.21Å; R381-L384 PolarHBondContact O-N 3Å; R381-H385 WeakPolarHBondContact O-CB 3.15Å; R381-H385 PolarHBondContact O-N 3.23Å
382S81.8Confident82.7Confident26 Ų2619.2 Ų19.218%0.18210%0.1CC..Hα-helixtrans-57.5-43.4176.6-178.20000111.5E285 E378 R379 H385 T386E285-S382 WeakPolarHBondContact OE1-CB 3.21Å; E285-S382 VanDerWaalsContact OE1-O 3.13Å; E285-S382 PolarHBondContact OE1-OG 3.38Å; E378-S382 PolarHBondContact O-N 2.7Å; R379-S382 PolarHBondContact O-N 3.29Å; S382-H385 PolarHBondContact O-N 3.36Å; S382-T386 WeakPolarHBondContact O-CB 3.4Å; S382-T386 PolarHBondContact O-N 2.96Å; S382-T386 PolarHBondContact O-OG1 3.02Å
383L86.6Confident82.3Confident0 Ų021.2 Ų21.20%012%0.117CC..Hα-helixtrans-65.8-47.7-179.7-175.659.9000111.6L267 V271 E285 A327 F330 R379 L380 R381 H385 T386 L387L267-L383 HydrophobicContact CD2-CD2 4.03Å; L267-L383 HydrophobicContact CG-CD2 4.42Å; V271-L383 HydrophobicContact CG2-CD1 4.42Å; E285-L383 WeakPolarHBondContact OE1-CA 3.18Å; E285-L383 PolarHBondContact OE1-N 3.15Å; A327-L383 HydrophobicContact CB-CD1 4.07Å; F330-L383 HydrophobicContact CD1-CD2 3.84Å; F330-L383 HydrophobicContact CE1-CD2 4.15Å; R379-L383 WeakPolarHBondContact O-CB 3.46Å; R379-L383 PolarHBondContact O-N 3.32Å; L380-L383 PolarHBondContact O-N 3.03Å; R381-L383 VanDerWaalsContact C-N 3.28Å; R381-L383 PolarHBondContact O-N 3.21Å; L383-H385 VanDerWaalsContact C-N 3.28Å; L383-H385 PolarHBondContact O-N 3.48Å; L383-T386 PolarHBondContact O-N 2.77Å; L383-L387 HydrophobicContact CD1-CD1 3.94Å; L383-L387 HydrophobicContact CD1-CG 4.14Å; L383-L387 HydrophobicContact CG-CD1 3.88Å; L383-L387 HydrophobicContact CG-CG 4.45Å; L383-L387 WeakPolarHBondContact O-CB 3.33Å; L383-L387 VanDerWaalsContact O-CG 3.31Å; L383-L387 WeakPolarHBondContact O-CG 3.43Å; L383-L387 PolarHBondContact O-N 3.44Å
384L85.3Confident82.1Confident1 Ų125.3 Ų25.31%0.00514%0.139CC..Hα-helixtrans-61.2-38.3178.7-69.8176000111.9L267 L306 L380 R381 E388 L389 Y392 F395L267-L384 HydrophobicContact CD1-CD2 4Å; L306-L384 HydrophobicContact CD1-CD1 3.78Å; L380-L384 HydrophobicContact CD1-CD1 4.18Å; L380-L384 HydrophobicContact CD1-CG 4.12Å; L380-L384 HydrophobicContact CG-CD1 3.98Å; L380-L384 HydrophobicContact CG-CG 4.32Å; L380-L384 WeakPolarHBondContact O-CG 3.11Å; L380-L384 PolarHBondContact O-N 3.26Å; R381-L384 PolarHBondContact O-N 3Å; L384-E388 PolarHBondContact O-N 2.97Å; L384-L389 HydrophobicContact CD2-CD1 3.75Å; L384-L389 PolarHBondContact O-N 3.16Å; L384-Y392 HydrophobicContact CD1-CD1 4.49Å; L384-Y392 HydrophobicContact CD1-CE1 4.17Å; L384-F395 HydrophobicContact CD1-CB 4.39Å; L384-F395 HydrophobicContact CD2-CD1 4.21Å; L384-F395 HydrophobicContact CD2-CD2 4.04Å; L384-F395 HydrophobicContact CD2-CE1 4.44Å; L384-F395 HydrophobicContact CD2-CE2 4.28Å; L384-F395 HydrophobicContact CD2-CG 4.01Å; L384-F395 HydrophobicContact CD2-CZ 4.47Å
385H80.2Confident82.1Confident50 Ų5024.4 Ų24.423%0.23114%0.135CC..Hα-helixtrans-65.1-47174.6-175.7-90.7000111.9D303 R381 S382 L383 L387 E388D303-H385 IonicContact OD2-CD2 2.67Å; D303-H385 IonicContact OD2-CE1 3.8Å; D303-H385 IonicContact OD2-NE2 3.64Å; D303-H385 PolarHBondContact OD2-NE2 3.48Å; R381-H385 WeakPolarHBondContact O-CB 3.15Å; R381-H385 PolarHBondContact O-N 3.23Å; S382-H385 PolarHBondContact O-N 3.36Å; L383-H385 VanDerWaalsContact C-N 3.28Å; L383-H385 PolarHBondContact O-N 3.48Å; H385-L387 VanDerWaalsContact C-N 3.3Å; H385-L387 PolarHBondContact O-N 2.87Å; H385-E388 PolarHBondContact O-N 2.9Å
386T83.6Confident82.2Confident11 Ų1127.5 Ų27.57%0.06716%0.157CC..Hα-helixtrans-63.4-35.2179.6-60.40000112.4R281 L282 E285 R288 S382 L383 E388R281-T386 HydrophobicContact CB-CG2 4.45Å; L282-T386 HydrophobicContact CD2-CG2 4.27Å; E285-T386 HydrophobicContact CB-CG2 3.87Å; E285-T386 VanDerWaalsContact CD-OG1 3.25Å; E285-T386 HydrophobicContact CG-CG2 4.33Å; E285-T386 WeakPolarHBondContact CG-OG1 3.36Å; E285-T386 PolarHBondContact OE1-OG1 3.06Å; R288-T386 PolarHBondContact NH2-OG1 3.26Å; S382-T386 WeakPolarHBondContact O-CB 3.4Å; S382-T386 PolarHBondContact O-N 2.96Å; S382-T386 PolarHBondContact O-OG1 3.02Å; L383-T386 PolarHBondContact O-N 2.77Å; T386-E388 PolarHBondContact O-N 3.48Å
387L84.6Confident82.3Confident24 Ų2428.1 Ų28.113%0.12616%0.161CC..THydrogen-bonded Turntrans-79.7-1.4176.9-65.7172.9000113.7L267 V271 A274 L282 L383 H385 L389L267-L387 HydrophobicContact CD1-CD1 3.52Å; V271-L387 HydrophobicContact CG2-CD1 3.7Å; V271-L387 HydrophobicContact CG2-CD2 4.12Å; A274-L387 HydrophobicContact CB-CD2 3.77Å; L282-L387 HydrophobicContact CD2-CD2 4.45Å; L383-L387 HydrophobicContact CD1-CD1 3.94Å; L383-L387 HydrophobicContact CD1-CG 4.14Å; L383-L387 HydrophobicContact CG-CD1 3.88Å; L383-L387 HydrophobicContact CG-CG 4.45Å; L383-L387 WeakPolarHBondContact O-CB 3.33Å; L383-L387 VanDerWaalsContact O-CG 3.31Å; L383-L387 WeakPolarHBondContact O-CG 3.43Å; L383-L387 PolarHBondContact O-N 3.44Å; H385-L387 VanDerWaalsContact C-N 3.3Å; H385-L387 PolarHBondContact O-N 2.87Å; L387-L389 HydrophobicContact CB-CD1 3.92Å; L387-L389 HydrophobicContact CB-CG 3.85Å; L387-L389 HydrophobicContact CD1-CD1 4.04Å; L387-L389 PolarHBondContact O-N 3.22Å
388E82.7Confident82.7Confident43 Ų4327.9 Ų27.920%0.20116%0.159CC..THydrogen-bonded Turntrans53.836.6-179.8-60.3-178.9159.300113.1F142 K146 R281 L384 H385 T386 A390F142-E388 HydrophobicContact CB-CB 4.24Å; F142-E388 HydrophobicContact CB-CG 3.7Å; F142-E388 HydrophobicContact CD1-CB 4.27Å; F142-E388 HydrophobicContact CD1-CG 4.28Å; F142-E388 HydrophobicContact CD2-CB 3.6Å; F142-E388 HydrophobicContact CD2-CG 4.06Å; F142-E388 HydrophobicContact CE2-CB 3.92Å; F142-E388 WeakPolarHBondContact CE2-O 3.41Å; F142-E388 HydrophobicContact CG-CB 3.79Å; F142-E388 HydrophobicContact CG-CG 3.77Å; F142-E388 VanDerWaalsContact CZ-C 3.48Å; F142-E388 HydrophobicContact CZ-CB 4.39Å; F142-E388 WeakPolarHBondContact CZ-O 3.31Å; K146-E388 WeakPolarHBondContact CE-OE2 3.34Å; K146-E388 IonicContact NZ-OE2 3.21Å; K146-E388 PolarHBondContact NZ-OE2 3.49Å; R281-E388 IonicContact CZ-OE1 2.96Å; R281-E388 IonicContact CZ-OE2 3.56Å; R281-E388 IonicContact NH1-OE1 3.68Å; R281-E388 PolarHBondContact NH1-OE1 3.42Å; R281-E388 IonicContact NH1-OE2 3.98Å; R281-E388 PolarHBondContact NH1-OE2 2.8Å; R281-E388 IonicContact NH2-OE1 3.24Å; R281-E388 PolarHBondContact NH2-OE1 3.17Å; R281-E388 IonicContact NH2-OE2 2.92Å; R281-E388 PolarHBondContact NH2-OE2 3.26Å; L384-E388 PolarHBondContact O-N 2.97Å; H385-E388 PolarHBondContact O-N 2.9Å; T386-E388 PolarHBondContact O-N 3.48Å; E388-A390 PolarHBondContact O-N 2.89Å
389L80Confident83.2Confident34 Ų3427.3 Ų27.318%0.17816%0.158CC..  trans-81.3115.2-178.9-68.1170.6000110.1L267 T270 L384 L387 Y392 F395L267-L389 HydrophobicContact CD1-CD1 3.82Å; T270-L389 HydrophobicContact CG2-CD2 4.29Å; L384-L389 HydrophobicContact CD2-CD1 3.75Å; L384-L389 PolarHBondContact O-N 3.16Å; L387-L389 HydrophobicContact CB-CD1 3.92Å; L387-L389 HydrophobicContact CB-CG 3.85Å; L387-L389 HydrophobicContact CD1-CD1 4.04Å; L387-L389 PolarHBondContact O-N 3.22Å; L389-Y392 VanDerWaalsContact O-CE2 3.28Å; L389-Y392 WeakPolarHBondContact O-CE2 3.21Å; L389-F395 HydrophobicContact CB-CE2 4.3Å; L389-F395 HydrophobicContact CD1-CE2 3.87Å; L389-F395 HydrophobicContact CD1-CZ 3.74Å
390A68.3Low83.4Confident22 Ų2229.8 Ų29.818%0.18217%0.171CC..  trans-83.4-23.4-177.900000114R137 F142 E388 Y392R137-A390 HydrophobicContact CB-CB 4.3Å; R137-A390 HydrophobicContact CG-CB 3.96Å; F142-A390 HydrophobicContact CE2-CB 4.32Å; F142-A390 HydrophobicContact CZ-CB 4.38Å; E388-A390 PolarHBondContact O-N 2.89Å; A390-Y392 PolarHBondContact O-N 3.2Å
391D75.9Confident83.6Confident58 Ų5829.8 Ų29.831%0.3117%0.171SC..  trans-96.579.8-171.4-76.3-9.7000113R137 A393 N394 F395R137-D391 IonicContact CZ-OD1 3.49Å; R137-D391 IonicContact NE-OD1 2.87Å; R137-D391 PolarHBondContact NE-OD1 3.15Å; R137-D391 VanDerWaalsContact NH2-CG 3.31Å; R137-D391 IonicContact NH2-OD1 3.56Å; R137-D391 PolarHBondContact NH2-OD1 2.86Å; R137-D391 IonicContact NH2-OD2 2.72Å; R137-D391 PolarHBondContact NH2-OD2 3.16Å; D391-A393 VanDerWaalsContact C-N 3.28Å; D391-A393 PolarHBondContact O-N 2.95Å; D391-N394 PolarHBondContact O-N 2.69Å; D391-F395 VanDerWaalsContact O-CD2 3.3Å; D391-F395 WeakPolarHBondContact O-CD2 3.38Å
392Y77Confident84.1Confident20 Ų2028 Ų288%0.07816%0.164CC..G310 helixtrans-66.8-27.1179.5-76.4-98.2000113.5S133 F136 V305 L306 L384 L389 A390 N394 F395 S396S133-Y392 PolarHBondContact OG-N 3.41Å; F136-Y392 AromaticContact CD1-CD2 3.5Å; F136-Y392 HydrophobicContact CD1-CD2 3.5Å; F136-Y392 VanDerWaalsContact CD1-CD2 3.5Å; F136-Y392 AromaticContact CD1-CE2 3.17Å; F136-Y392 HydrophobicContact CD1-CE2 3.17Å; F136-Y392 AromaticContact CE1-CD2 3.88Å; F136-Y392 HydrophobicContact CE1-CD2 3.88Å; F136-Y392 AromaticContact CE1-CE2 3.04Å; F136-Y392 HydrophobicContact CE1-CE2 3.04Å; F136-Y392 AromaticContact CE1-CZ 3.75Å; F136-Y392 HydrophobicContact CG-CD2 4.19Å; F136-Y392 HydrophobicContact CG-CE2 4.05Å; F136-Y392 AromaticContact CZ-CE2 3.76Å; F136-Y392 HydrophobicContact CZ-CE2 3.76Å; V305-Y392 HydrophobicContact CG1-CD1 4.3Å; V305-Y392 HydrophobicContact CG1-CG 4.37Å; L306-Y392 HydrophobicContact CD1-CD1 4.01Å; L306-Y392 HydrophobicContact CD1-CE1 3.62Å; L306-Y392 HydrophobicContact CD2-CD1 4.41Å; L306-Y392 HydrophobicContact CG-CD1 4.07Å; L306-Y392 HydrophobicContact CG-CE1 3.89Å; L384-Y392 HydrophobicContact CD1-CD1 4.49Å; L384-Y392 HydrophobicContact CD1-CE1 4.17Å; L389-Y392 VanDerWaalsContact O-CE2 3.28Å; L389-Y392 WeakPolarHBondContact O-CE2 3.21Å; A390-Y392 PolarHBondContact O-N 3.2Å; Y392-N394 PolarHBondContact O-N 3.15Å; Y392-F395 CarbonylContact O-C 3.59Å; Y392-F395 PolarHBondContact O-N 2.87Å; Y392-S396 PolarHBondContact O-N 3.49Å; Y392-S396 VanDerWaalsContact O-N 3.13Å
393A78.8Confident84.4Confident52 Ų5227.6 Ų27.643%0.4316%0.16SC..G310 helixtrans-54.5-38.9179.500000112.1S133 D391 F395 S396S133-A393 PolarHBondContact OG-N 3.29Å; D391-A393 VanDerWaalsContact C-N 3.28Å; D391-A393 PolarHBondContact O-N 2.95Å; A393-F395 VanDerWaalsContact C-N 3.31Å; A393-F395 PolarHBondContact O-N 2.65Å; A393-S396 WeakPolarHBondContact O-CB 3.07Å; A393-S396 PolarHBondContact O-N 2.85Å; A393-S396 PolarHBondContact O-OG 2.89Å
394N82.9Confident84.7Confident88 Ų8827.6 Ų27.647%0.47116%0.16SC..G310 helixtrans-66.2-33.7178.1-67.1-23.4000112S263 D391 Y392S263-N394 PolarHBondContact OG-O 2.95Å; D391-N394 PolarHBondContact O-N 2.69Å; Y392-N394 PolarHBondContact O-N 3.15Å
395F86.5Confident85Confident4 Ų427.6 Ų27.62%0.01816%0.16CC..G310 helixtrans-947.8-178.3-56.8-75.1000113.9L266 L267 L384 L389 D391 Y392 A393 S397 L398 T399L266-F395 HydrophobicContact CD2-CE1 4.45Å; L266-F395 HydrophobicContact CD2-CZ 4Å; L266-F395 HydrophobicContact CG-CZ 4.46Å; L267-F395 HydrophobicContact CB-CE1 4.2Å; L267-F395 HydrophobicContact CD1-CE1 4.19Å; L384-F395 HydrophobicContact CD1-CB 4.39Å; L384-F395 HydrophobicContact CD2-CD1 4.21Å; L384-F395 HydrophobicContact CD2-CD2 4.04Å; L384-F395 HydrophobicContact CD2-CE1 4.44Å; L384-F395 HydrophobicContact CD2-CE2 4.28Å; L384-F395 HydrophobicContact CD2-CG 4.01Å; L384-F395 HydrophobicContact CD2-CZ 4.47Å; L389-F395 HydrophobicContact CB-CE2 4.3Å; L389-F395 HydrophobicContact CD1-CE2 3.87Å; L389-F395 HydrophobicContact CD1-CZ 3.74Å; D391-F395 VanDerWaalsContact O-CD2 3.3Å; D391-F395 WeakPolarHBondContact O-CD2 3.38Å; Y392-F395 CarbonylContact O-C 3.59Å; Y392-F395 PolarHBondContact O-N 2.87Å; A393-F395 VanDerWaalsContact C-N 3.31Å; A393-F395 PolarHBondContact O-N 2.65Å; F395-S397 PolarHBondContact O-N 3.46Å; F395-L398 HydrophobicContact CD1-CD2 4.44Å; F395-L398 PolarHBondContact O-N 3.02Å; F395-T399 WeakPolarHBondContact O-CB 3.44Å; F395-T399 PolarHBondContact O-N 3.44Å; F395-T399 PolarHBondContact O-OG1 3.41Å
396S86.2Confident85.4Confident66 Ų6625.2 Ų25.246%0.46215%0.149SC..Hα-helixtrans-57.5-44.2-179.556.40000113Y392 A393 T399 L400Y392-S396 PolarHBondContact O-N 3.49Å; Y392-S396 VanDerWaalsContact O-N 3.13Å; A393-S396 WeakPolarHBondContact O-CB 3.07Å; A393-S396 PolarHBondContact O-N 2.85Å; A393-S396 PolarHBondContact O-OG 2.89Å; S396-T399 WeakPolarHBondContact O-CB 3.07Å; S396-T399 PolarHBondContact O-N 3.36Å; S396-L400 PolarHBondContact O-N 3.22Å
397S89.7Confident85.6Confident14 Ų1424.8 Ų24.810%0.09815%0.147CC..Hα-helixtrans-68.4-39179.4-57.50000111.5S256 C260 F395 L400 L401S256-S397 WeakPolarHBondContact O-CB 3.18Å; C260-S397 VanDerWaalsContact SG-CB 3.58Å; C260-S397 PolarHBondContact SG-O 3.11Å; F395-S397 PolarHBondContact O-N 3.46Å; S397-L400 WeakPolarHBondContact O-CB 3.39Å; S397-L400 PolarHBondContact O-N 2.81Å; S397-L401 PolarHBondContact O-N 3.33Å
398L91.8Very high85.9Confident1 Ų123.8 Ų23.81%0.00514%0.141CC..Hα-helixtrans-66.5-39.9176.3-174.162000111.5L267 L334 L380 F395 L400 L401 C402L267-L398 HydrophobicContact CD2-CD2 4.01Å; L334-L398 HydrophobicContact CD1-CD1 4.36Å; L380-L398 HydrophobicContact CD1-CD2 3.84Å; L380-L398 HydrophobicContact CD1-CG 4.32Å; L380-L398 HydrophobicContact CD2-CD2 4.46Å; L380-L398 HydrophobicContact CD2-CG 4.1Å; F395-L398 HydrophobicContact CD1-CD2 4.44Å; F395-L398 PolarHBondContact O-N 3.02Å; L398-L400 VanDerWaalsContact C-N 3.33Å; L398-L400 PolarHBondContact O-N 2.68Å; L398-L401 HydrophobicContact CD1-CD2 4.46Å; L398-L401 WeakPolarHBondContact O-CB 3.42Å; L398-L401 PolarHBondContact O-N 2.83Å; L398-C402 PolarHBondContact O-N 3.03Å; L398-C402 PolarHBondContact O-SG 3.07Å
399T89.7Confident86.1Confident17 Ų1721.7 Ų21.710%0.10413%0.132CC..Hα-helixtrans-59.6-44.3173.3-60.20000111.2L306 F395 S396 L401 C402 N403L306-T399 HydrophobicContact CD2-CG2 3.44Å; L306-T399 VanDerWaalsContact CD2-CG2 3.44Å; F395-T399 WeakPolarHBondContact O-CB 3.44Å; F395-T399 PolarHBondContact O-N 3.44Å; F395-T399 PolarHBondContact O-OG1 3.41Å; S396-T399 WeakPolarHBondContact O-CB 3.07Å; S396-T399 PolarHBondContact O-N 3.36Å; T399-L401 VanDerWaalsContact C-N 3.33Å; T399-L401 PolarHBondContact O-N 3.14Å; T399-C402 PolarHBondContact O-N 3Å; T399-N403 WeakPolarHBondContact O-CB 3.42Å; T399-N403 VanDerWaalsContact O-CG 3.23Å; T399-N403 PolarHBondContact O-N 3.4Å; T399-N403 PolarHBondContact O-ND2 2.85Å
400L90.2Very high86.4Confident54 Ų5421 Ų2128%0.28313%0.128SC..Hα-helixtrans-59.8-43176.1179.763.4000111.9C250 L251 S396 S397 L398 N403 F404C250-L400 HydrophobicContact CB-CD1 4.39Å; L251-L400 WeakPolarHBondContact O-CD2 3.29Å; S396-L400 PolarHBondContact O-N 3.22Å; S397-L400 WeakPolarHBondContact O-CB 3.39Å; S397-L400 PolarHBondContact O-N 2.81Å; L398-L400 VanDerWaalsContact C-N 3.33Å; L398-L400 PolarHBondContact O-N 2.68Å; L400-N403 PolarHBondContact O-N 3.16Å; L400-F404 WeakPolarHBondContact O-CB 3.47Å; L400-F404 PolarHBondContact O-N 2.66Å
401L92.9Very high87.3Confident2 Ų222 Ų221%0.0113%0.128CC..Hα-helixtrans-63-43.9176-177.768.7000112.2I252 L257 F337 L338 V341 S397 L398 T399 F404 A405I252-L401 HydrophobicContact CD1-CD1 4.29Å; L257-L401 HydrophobicContact CD2-CD1 4.36Å; F337-L401 HydrophobicContact CD1-CD1 4.13Å; F337-L401 HydrophobicContact CD1-CD2 4.41Å; F337-L401 HydrophobicContact CD1-CG 4.17Å; F337-L401 HydrophobicContact CE1-CD1 3.8Å; F337-L401 HydrophobicContact CE1-CG 4.12Å; L338-L401 HydrophobicContact CB-CD2 4.12Å; L338-L401 HydrophobicContact CD1-CD2 3.96Å; V341-L401 HydrophobicContact CG2-CD1 4.21Å; S397-L401 PolarHBondContact O-N 3.33Å; L398-L401 HydrophobicContact CD1-CD2 4.46Å; L398-L401 WeakPolarHBondContact O-CB 3.42Å; L398-L401 PolarHBondContact O-N 2.83Å; T399-L401 VanDerWaalsContact C-N 3.33Å; T399-L401 PolarHBondContact O-N 3.14Å; L401-F404 HydrophobicContact CD1-CD1 4.43Å; L401-F404 WeakPolarHBondContact O-CB 3.24Å; L401-F404 PolarHBondContact O-N 2.86Å; L401-A405 PolarHBondContact O-N 3.03Å
402C91.2Very high87.6Confident1 Ų121.5 Ų21.51%0.00713%0.127CC..Hα-helixtrans-66.8-37.6176.8-70.20000112.3C376 A377 L380 L398 T399 A405 T406C376-C402 HydrophobicContact CB-CB 4.31Å; A377-C402 HydrophobicContact CB-CB 4.5Å; L380-C402 HydrophobicContact CD2-CB 4.09Å; L398-C402 PolarHBondContact O-N 3.03Å; L398-C402 PolarHBondContact O-SG 3.07Å; T399-C402 PolarHBondContact O-N 3Å; C402-A405 WeakPolarHBondContact O-CB 3.18Å; C402-A405 PolarHBondContact O-N 2.99Å; C402-T406 PolarHBondContact O-N 3.31Å; C402-T406 PolarHBondContact O-OG1 3.04Å
403N88.6Confident88Confident18 Ų1830.8 Ų30.810%0.09616%0.162CC..Hα-helixtrans-63.4-43174.1-73.8-16.3000111.4P309 T399 L400 T406 L407P309-N403 WeakPolarHBondContact CD-OD1 3.49Å; P309-N403 HydrophobicContact CG-CB 4.21Å; T399-N403 WeakPolarHBondContact O-CB 3.42Å; T399-N403 VanDerWaalsContact O-CG 3.23Å; T399-N403 PolarHBondContact O-N 3.4Å; T399-N403 PolarHBondContact O-ND2 2.85Å; L400-N403 PolarHBondContact O-N 3.16Å; N403-T406 PolarHBondContact O-N 2.82Å; N403-L407 WeakPolarHBondContact O-CB 3.25Å; N403-L407 VanDerWaalsContact O-CG 3.29Å; N403-L407 WeakPolarHBondContact O-CG 3.47Å; N403-L407 PolarHBondContact O-N 2.84Å
404F91.7Very high88.3Confident0 Ų028.9 Ų28.90%015%0.147CC..Hα-helixtrans-59.5-46.7172.8165.7-105.3000111.7I252 F337 V341 F358 L400 L401 T406 L407 V408 L417 L434 F436I252-F404 HydrophobicContact CD1-CB 3.84Å; I252-F404 HydrophobicContact CD1-CD1 3.58Å; I252-F404 HydrophobicContact CD1-CD2 4.09Å; I252-F404 HydrophobicContact CD1-CE1 4.12Å; I252-F404 HydrophobicContact CD1-CG 3.56Å; F337-F404 HydrophobicContact CE1-CD1 4.19Å; F337-F404 HydrophobicContact CE1-CE1 4.39Å; F337-F404 HydrophobicContact CZ-CD1 4.05Å; F337-F404 AromaticContact CZ-CE1 3.9Å; F337-F404 HydrophobicContact CZ-CE1 3.9Å; V341-F404 HydrophobicContact CG2-CE1 4.18Å; F358-F404 HydrophobicContact CE1-CE1 4.25Å; F358-F404 HydrophobicContact CE1-CZ 4.08Å; F358-F404 HydrophobicContact CZ-CE1 4.05Å; F358-F404 AromaticContact CZ-CZ 3.89Å; F358-F404 HydrophobicContact CZ-CZ 3.89Å; L400-F404 WeakPolarHBondContact O-CB 3.47Å; L400-F404 PolarHBondContact O-N 2.66Å; L401-F404 HydrophobicContact CD1-CD1 4.43Å; L401-F404 WeakPolarHBondContact O-CB 3.24Å; L401-F404 PolarHBondContact O-N 2.86Å; F404-T406 PolarHBondContact O-N 3.12Å; F404-L407 PolarHBondContact O-N 3.15Å; F404-V408 HydrophobicContact CD2-CG2 3.56Å; F404-V408 HydrophobicContact CE1-CG2 4.25Å; F404-V408 HydrophobicContact CE2-CG2 3.21Å; F404-V408 HydrophobicContact CG-CG2 4.22Å; F404-V408 HydrophobicContact CZ-CG2 3.61Å; F404-V408 WeakPolarHBondContact O-CB 3.15Å; F404-V408 WeakPolarHBondContact O-CG2 3.26Å; F404-V408 PolarHBondContact O-N 3.26Å; F404-L417 HydrophobicContact CE2-CD1 4.16Å; F404-L417 HydrophobicContact CZ-CD1 3.96Å; F404-L434 HydrophobicContact CE2-CD2 3.77Å; F404-L434 HydrophobicContact CZ-CD1 4.43Å; F404-L434 HydrophobicContact CZ-CD2 3.95Å; F404-F436 HydrophobicContact CD2-CB 3.66Å; F404-F436 HydrophobicContact CD2-CD1 4.3Å; F404-F436 HydrophobicContact CD2-CD2 4.32Å; F404-F436 AromaticContact CD2-CG 3.82Å; F404-F436 HydrophobicContact CD2-CG 3.82Å; F404-F436 HydrophobicContact CE2-CB 3.63Å; F404-F436 AromaticContact CE2-CD2 3.92Å; F404-F436 HydrophobicContact CE2-CD2 3.92Å; F404-F436 AromaticContact CE2-CG 3.82Å; F404-F436 HydrophobicContact CE2-CG 3.82Å
405A91.6Very high88.8Confident1 Ų125.3 Ų25.31%0.00813%0.127CC..Hα-helixtrans-56.6-47.6176.200000112.3F337 L373 C376 L401 C402 S409F337-A405 HydrophobicContact CD1-CB 4.42Å; F337-A405 HydrophobicContact CE1-CB 3.71Å; F337-A405 HydrophobicContact CZ-CB 3.9Å; L373-A405 HydrophobicContact CD2-CB 3.9Å; C376-A405 HydrophobicContact CB-CB 4.18Å; L401-A405 PolarHBondContact O-N 3.03Å; C402-A405 WeakPolarHBondContact O-CB 3.18Å; C402-A405 PolarHBondContact O-N 2.99Å; A405-S409 VanDerWaalsContact O-CB 3.31Å; A405-S409 WeakPolarHBondContact O-CB 3.36Å; A405-S409 PolarHBondContact O-N 3.24Å; A405-S409 VanDerWaalsContact O-N 3.16Å; A405-S409 PolarHBondContact O-OG 2.87Å
406T88.7Confident89Confident0 Ų025.5 Ų25.50%013%0.129CC..Hα-helixtrans-63.4-45.2176.9-660000111.4P309 L311 L373 Q374 A377 C402 N403 F404 S409 T410P309-T406 HydrophobicContact CG-CG2 3.82Å; L311-T406 HydrophobicContact CD2-CG2 3.77Å; L311-T406 HydrophobicContact CG-CG2 4.19Å; L373-T406 WeakPolarHBondContact O-CA 3.22Å; L373-T406 PolarHBondContact O-N 3.04Å; L373-T406 PolarHBondContact O-OG1 2.93Å; Q374-T406 VanDerWaalsContact O-CG2 3.27Å; Q374-T406 WeakPolarHBondContact O-CG2 3.33Å; Q374-T406 PolarHBondContact O-OG1 3.43Å; A377-T406 PolarHBondContact N-OG1 3.44Å; C402-T406 PolarHBondContact O-N 3.31Å; C402-T406 PolarHBondContact O-OG1 3.04Å; N403-T406 PolarHBondContact O-N 2.82Å; F404-T406 PolarHBondContact O-N 3.12Å; T406-S409 PolarHBondContact O-N 3.17Å; T406-S409 PolarHBondContact O-OG 3.23Å; T406-T410 WeakPolarHBondContact O-CB 3.41Å; T406-T410 PolarHBondContact O-N 3.2Å; T406-T410 PolarHBondContact O-OG1 3.07Å
407L88.2Confident89.4Confident2 Ų222.3 Ų22.31%0.0111%0.107CC..Hα-helixtrans-65.4-47-178.9-75.7171.4000113.1M248 P309 N403 F404 S409 T410 Y411 F436M248-L407 HydrophobicContact CE-CD2 3.52Å; M248-L407 HydrophobicContact SD-CD2 4.36Å; P309-L407 HydrophobicContact CB-CD1 4.28Å; P309-L407 HydrophobicContact CB-CD2 3.69Å; P309-L407 HydrophobicContact CB-CG 3.77Å; P309-L407 HydrophobicContact CG-CG 4.24Å; N403-L407 WeakPolarHBondContact O-CB 3.25Å; N403-L407 VanDerWaalsContact O-CG 3.29Å; N403-L407 WeakPolarHBondContact O-CG 3.47Å; N403-L407 PolarHBondContact O-N 2.84Å; F404-L407 PolarHBondContact O-N 3.15Å; L407-S409 VanDerWaalsContact C-N 3.25Å; L407-S409 PolarHBondContact O-N 3.41Å; L407-T410 PolarHBondContact O-N 3.49Å; L407-Y411 HydrophobicContact CD2-CD2 3.95Å; L407-Y411 HydrophobicContact CD2-CE2 3.95Å; L407-Y411 PolarHBondContact O-N 3.13Å; L407-F436 HydrophobicContact CB-CD1 4.33Å; L407-F436 HydrophobicContact CB-CE1 3.6Å; L407-F436 HydrophobicContact CB-CZ 4.21Å; L407-F436 HydrophobicContact CD1-CE1 4.36Å
408V90.8Very high89.5Confident2 Ų221.7 Ų21.71%0.01210%0.103CC..Hα-helixtrans-60.2-38.2178.5172.60000111.3P355 F358 L359 F404 F436P355-V408 HydrophobicContact CB-CG1 4.41Å; F358-V408 HydrophobicContact CD1-CG1 3.74Å; F358-V408 HydrophobicContact CE1-CG1 4.19Å; L359-V408 HydrophobicContact CD2-CG1 3.97Å; L359-V408 HydrophobicContact CG-CG1 3.98Å; F404-V408 HydrophobicContact CD2-CG2 3.56Å; F404-V408 HydrophobicContact CE1-CG2 4.25Å; F404-V408 HydrophobicContact CE2-CG2 3.21Å; F404-V408 HydrophobicContact CG-CG2 4.22Å; F404-V408 HydrophobicContact CZ-CG2 3.61Å; F404-V408 WeakPolarHBondContact O-CB 3.15Å; F404-V408 WeakPolarHBondContact O-CG2 3.26Å; F404-V408 PolarHBondContact O-N 3.26Å; V408-F436 HydrophobicContact CB-CE2 4.26Å; V408-F436 HydrophobicContact CG2-CD2 3.61Å; V408-F436 HydrophobicContact CG2-CE1 4.46Å; V408-F436 HydrophobicContact CG2-CE2 3.44Å; V408-F436 VanDerWaalsContact CG2-CE2 3.44Å; V408-F436 HydrophobicContact CG2-CG 4.18Å; V408-F436 HydrophobicContact CG2-CZ 3.9Å
409S88.4Confident89.5Confident0 Ų021.7 Ų21.70%010%0.102CC..Hα-helixtrans-80.9-20.9-179.567.30000114.1R370 Q374 A405 T406 L407R370-S409 PolarHBondContact NE-O 3.13Å; R370-S409 PolarHBondContact NH2-O 3.43Å; Q374-S409 VanDerWaalsContact CA-OG 3.23Å; Q374-S409 WeakPolarHBondContact CA-OG 3.49Å; Q374-S409 WeakPolarHBondContact CG-OG 3.42Å; Q374-S409 PolarHBondContact N-OG 3.28Å; Q374-S409 VanDerWaalsContact N-OG 3.15Å; Q374-S409 PolarHBondContact NE2-O 2.79Å; Q374-S409 VanDerWaalsContact NE2-O 3.08Å; A405-S409 VanDerWaalsContact O-CB 3.31Å; A405-S409 WeakPolarHBondContact O-CB 3.36Å; A405-S409 PolarHBondContact O-N 3.24Å; A405-S409 VanDerWaalsContact O-N 3.16Å; A405-S409 PolarHBondContact O-OG 2.87Å; T406-S409 PolarHBondContact O-N 3.17Å; T406-S409 PolarHBondContact O-OG 3.23Å; L407-S409 VanDerWaalsContact C-N 3.25Å; L407-S409 PolarHBondContact O-N 3.41Å
410T86.4Confident89.5Confident18 Ų1821.4 Ų21.411%0.1110%0.1CC..Hα-helixtrans-89.6-51.6178.3-61.90000111L311 R370 T406 L407L311-T410 HydrophobicContact CD2-CG2 4.2Å; L311-T410 WeakPolarHBondContact CD2-OG1 3.36Å; R370-T410 PolarHBondContact NH2-O 2.94Å; T406-T410 WeakPolarHBondContact O-CB 3.41Å; T406-T410 PolarHBondContact O-N 3.2Å; T406-T410 PolarHBondContact O-OG1 3.07Å; L407-T410 PolarHBondContact O-N 3.49Å
411Y85.4Confident89.3Confident44 Ų4419.2 Ų19.217%0.1739%0.089CC..  trans-101.3103.3-172.7-63.5-82.5000112.1M248 A310 L407 F415 L443M248-Y411 HydrophobicContact CE-CD2 3.88Å; M248-Y411 HydrophobicContact CE-CE1 4.45Å; M248-Y411 HydrophobicContact CE-CE2 3.3Å; A310-Y411 WeakPolarHBondContact CB-OH 3.41Å; A310-Y411 PolarHBondContact O-OH 3.21Å; A310-Y411 VanDerWaalsContact O-OH 3.1Å; L407-Y411 HydrophobicContact CD2-CD2 3.95Å; L407-Y411 HydrophobicContact CD2-CE2 3.95Å; L407-Y411 PolarHBondContact O-N 3.13Å; Y411-F415 VanDerWaalsContact CB-CD2 3.4Å; Y411-F415 AromaticContact CD1-CE2 3.87Å; Y411-F415 HydrophobicContact CD1-CE2 3.87Å; Y411-F415 HydrophobicContact CD2-CE2 4.17Å; Y411-F415 HydrophobicContact CD2-CZ 4.26Å; Y411-F415 HydrophobicContact CG-CD2 4.21Å; Y411-F415 AromaticContact CG-CE2 3.5Å; Y411-F415 HydrophobicContact CG-CE2 3.5Å; Y411-F415 HydrophobicContact CG-CZ 4.05Å; Y411-L443 HydrophobicContact CD1-CD1 4.29Å
412T83.6Confident88.9Confident48 Ų4822.2 Ų22.229%0.29410%0.102SC..  trans-92.7-14.7177.953.20000114.2V356V356-T412 HydrophobicContact CG2-CG2 3.93Å
413R85Confident88.2Confident215 Ų21525.2 Ų25.281%0.81112%0.118SC*.SBendtrans-118.3146.2-179.6-64.5-174178.9-175.60.1110.1F415R413-F415 VanDerWaalsContact C-N 3.28Å; R413-F415 WeakPolarHBondContact O-CD2 3.43Å; R413-F415 PolarHBondContact O-N 3.37Å
414G85.7Confident87.4Confident11 Ų1127.9 Ų27.911%0.11313%0.13CC..SBendtrans778.5177.500000115.2M439 D440G414-M439 PolarHBondContact O-N 3Å; G414-D440 PolarHBondContact O-N 3.33Å
415F91.7Very high86.5Confident13 Ų1337.4 Ų37.46%0.05717%0.166CC..EExtended strand (participates in β ladder)trans-123.5152.1176.9-71.9-98000111.2M248 P355 Y411 R413 F436 H437 C438 L443M248-F415 HydrophobicContact CB-CE1 4Å; M248-F415 HydrophobicContact CB-CZ 4.03Å; M248-F415 HydrophobicContact CE-CZ 3.98Å; P355-F415 VanDerWaalsContact CD-O 3.3Å; P355-F415 WeakPolarHBondContact CD-O 3.32Å; P355-F415 HydrophobicContact CG-CB 3.8Å; Y411-F415 VanDerWaalsContact CB-CD2 3.4Å; Y411-F415 AromaticContact CD1-CE2 3.87Å; Y411-F415 HydrophobicContact CD1-CE2 3.87Å; Y411-F415 HydrophobicContact CD2-CE2 4.17Å; Y411-F415 HydrophobicContact CD2-CZ 4.26Å; Y411-F415 HydrophobicContact CG-CD2 4.21Å; Y411-F415 AromaticContact CG-CE2 3.5Å; Y411-F415 HydrophobicContact CG-CE2 3.5Å; Y411-F415 HydrophobicContact CG-CZ 4.05Å; R413-F415 VanDerWaalsContact C-N 3.28Å; R413-F415 WeakPolarHBondContact O-CD2 3.43Å; R413-F415 PolarHBondContact O-N 3.37Å; F415-F436 HydrophobicContact CB-CE2 3.94Å; F415-F436 HydrophobicContact CB-CZ 3.82Å; F415-F436 HydrophobicContact CD1-CD1 4.16Å; F415-F436 AromaticContact CD1-CE1 3.34Å; F415-F436 HydrophobicContact CD1-CE1 3.34Å; F415-F436 HydrophobicContact CD1-CE2 4.15Å; F415-F436 AromaticContact CD1-CZ 3.36Å; F415-F436 HydrophobicContact CD1-CZ 3.36Å; F415-F436 AromaticContact CE1-CE1 3.67Å; F415-F436 HydrophobicContact CE1-CE1 3.67Å; F415-F436 HydrophobicContact CE1-CZ 4.05Å; F415-F436 HydrophobicContact CG-CE1 4.15Å; F415-F436 HydrophobicContact CG-CE2 4.31Å; F415-F436 AromaticContact CG-CZ 3.68Å; F415-F436 HydrophobicContact CG-CZ 3.68Å; F415-H437 WeakPolarHBondContact CA-O 3.31Å; F415-C438 HydrophobicContact CD1-CB 3.96Å; F415-C438 HydrophobicContact CE1-CB 3.51Å; F415-C438 HydrophobicContact CZ-CB 4Å; F415-L443 HydrophobicContact CD2-CD1 4.25Å; F415-L443 HydrophobicContact CE2-CD1 3.44Å; F415-L443 VanDerWaalsContact CE2-CD1 3.44Å; F415-L443 HydrophobicContact CZ-CD1 4.14Å
416C92.5Very high85.8Confident8 Ų839.8 Ų39.85%0.05418%0.18CC..EExtended strand (participates in β ladder)trans-133.5142.9177176.10000110H352 I418 H437 M439H352-C416 PolarHBondContact CD2-SG 3.47Å; H352-C416 PolarHBondContact NE2-SG 3.35Å; C416-I418 WeakPolarHBondContact SG-CG1 3.35Å; C416-H437 PolarHBondContact N-O 3Å; C416-H437 PolarHBondContact O-N 3.24Å; C416-M439 HydrophobicContact CB-CE 3.53Å; C416-M439 HydrophobicContact CB-CG 4.26Å
417L93.5Very high85.2Confident0 Ų044 Ų440%021%0.207CC..EExtended strand (participates in β ladder)trans-109.7120.7172.2-166.7154.7000109.1E353 F358 F404 I419 L434 Y435E353-L417 PolarHBondContact N-O 3.34Å; E353-L417 PolarHBondContact O-N 3.15Å; F358-L417 HydrophobicContact CB-CD1 4.17Å; F358-L417 HydrophobicContact CD1-CD1 4.27Å; F358-L417 HydrophobicContact CD2-CD1 3.45Å; F358-L417 VanDerWaalsContact CD2-CD1 3.45Å; F358-L417 HydrophobicContact CD2-CD2 4.45Å; F358-L417 HydrophobicContact CE2-CD1 3.76Å; F358-L417 HydrophobicContact CG-CD1 3.71Å; F358-L417 HydrophobicContact CZ-CD1 4.29Å; F404-L417 HydrophobicContact CE2-CD1 4.16Å; F404-L417 HydrophobicContact CZ-CD1 3.96Å; L417-I419 HydrophobicContact CD2-CD1 3.87Å; L417-I419 HydrophobicContact CD2-CG1 3.54Å; L417-L434 HydrophobicContact CD1-CD2 4.39Å; L417-L434 HydrophobicContact CD2-CD1 4.25Å; L417-L434 HydrophobicContact CD2-CG 4.15Å; L417-L434 HydrophobicContact CG-CD2 4.23Å; L417-L434 HydrophobicContact CG-CG 4.34Å; L417-Y435 WeakPolarHBondContact CA-O 3.4Å
418I92.6Very high84.7Confident1 Ų149.9 Ų49.91%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-122.1124.5179.1-53.6-179.9000108.6V351 C416 E420 Y435 R632 I633 A636V351-I418 WeakPolarHBondContact O-CA 2.99Å; C416-I418 WeakPolarHBondContact SG-CG1 3.35Å; I418-E420 HydrophobicContact CG2-CG 3.97Å; I418-Y435 PolarHBondContact N-O 3.25Å; I418-Y435 PolarHBondContact O-N 2.98Å; I418-R632 HydrophobicContact CD1-CB 4.24Å; I418-R632 HydrophobicContact CG2-CB 4.35Å; I418-I633 HydrophobicContact CD1-CB 4.48Å; I418-I633 HydrophobicContact CD1-CG1 3.98Å; I418-A636 HydrophobicContact CD1-CB 4.35Å
419I92.3Very high84.3Confident0 Ų054.5 Ų54.50%027%0.268CS..EExtended strand (participates in β ladder)trans-109.8119.1175.8-54.4175.6000108.3R344 V350 V351 L417 L434R344-I419 HydrophobicContact CB-CD1 4.02Å; V350-I419 WeakPolarHBondContact CA-O 3.41Å; V350-I419 WeakPolarHBondContact CG1-O 3.33Å; V351-I419 HydrophobicContact CB-CB 4.33Å; V351-I419 PolarHBondContact N-O 2.8Å; V351-I419 VanDerWaalsContact N-O 3.11Å; V351-I419 PolarHBondContact O-N 3.19Å; L417-I419 HydrophobicContact CD2-CD1 3.87Å; L417-I419 HydrophobicContact CD2-CG1 3.54Å; I419-L434 HydrophobicContact CD1-CD1 4.38Å; I419-L434 HydrophobicContact CG1-CD1 4.24Å; I419-L434 HydrophobicContact CG1-CG 4.17Å
420E89.6Confident84Confident11 Ų1161 Ų615%0.05130%0.301CS..EExtended strand (participates in β ladder)trans-114.3121.1177.6-57-164.7136.400109.6I418 P432 V433 Y435 R632I418-E420 HydrophobicContact CG2-CG 3.97Å; E420-P432 CarbonylContact O-C 3.31Å; E420-P432 VanDerWaalsContact O-CA 3.23Å; E420-P432 WeakPolarHBondContact O-CA 3.37Å; E420-V433 PolarHBondContact N-O 3.36Å; E420-V433 PolarHBondContact O-N 2.75Å; E420-Y435 HydrophobicContact CB-CE2 4.44Å; E420-Y435 HydrophobicContact CG-CD2 4.36Å; E420-Y435 HydrophobicContact CG-CE2 4.1Å; E420-Y435 WeakPolarHBondContact OE2-CE2 3.09Å; E420-R632 WeakPolarHBondContact OE1-CD 3.31Å; E420-R632 IonicContact OE1-CZ 3.77Å; E420-R632 IonicContact OE1-NE 3.42Å; E420-R632 IonicContact OE1-NH1 2.75Å; E420-R632 PolarHBondContact OE1-NH1 2.95Å
421P85.4Confident83.9Confident8 Ų863.2 Ų63.25%0.05231%0.312CS..EExtended strand (participates in β ladder)trans-78.9-23.4-17817.8-15.4000114.2I347 A348 V350 N431I347-P421 WeakPolarHBondContact O-CB 3.49Å; A348-P421 VanDerWaalsContact C-CG 3.48Å; A348-P421 VanDerWaalsContact O-CG 3.3Å; A348-P421 WeakPolarHBondContact O-CG 3.46Å; V350-P421 VanDerWaalsContact CG2-CD 3.44Å; V350-P421 HydrophobicContact CG2-CG 4.27Å; P421-N431 CarbonylContact O-C 3.59Å; P421-N431 VanDerWaalsContact O-C 3.31Å; P421-N431 PolarHBondContact O-N 2.85Å
422F83.7Confident84.1Confident65 Ų6561.7 Ų61.729%0.28531%0.307SS..EExtended strand (participates in β ladder)trans-133.4149.5-177.747.1-96.8000109.2V350 P427V350-F422 HydrophobicContact CG2-CZ 4.36Å; F422-P427 HydrophobicContact CD2-CB 4.33Å
423D77.4Confident84.5Confident65 Ų6560 Ų6035%0.34830%0.297SS..EExtended strand (participates in β ladder)trans-67.5137.2168.3-171.5-17.6000108.5R425 T426D423-R425 PolarHBondContact O-N 2.69Å; D423-R425 VanDerWaalsContact O-N 3.14Å; D423-R425 PolarHBondContact OD1-N 2.83Å; D423-R425 VanDerWaalsContact OD1-N 3.15Å; D423-T426 CarbonylContact O-C 2.99Å; D423-T426 VanDerWaalsContact O-C 3.3Å; D423-T426 PolarHBondContact O-N 3.5Å; D423-T426 VanDerWaalsContact O-N 3.14Å
424E71.2Confident84.8Confident73 Ų7349.7 Ų49.734%0.34126%0.258SS..THydrogen-bonded Turntrans-55.6-30.2177.3-63.7-176.1156.800111.9Y628E424-Y628 WeakPolarHBondContact OE2-CE1 3.38Å
425R72Confident85.2Confident201 Ų20152.1 Ų52.176%0.75826%0.264SS*.THydrogen-bonded Turntrans-77.7-29.6-179.7-62.6-177.5-176.1178.63.8114D423D423-R425 PolarHBondContact O-N 2.69Å; D423-R425 VanDerWaalsContact O-N 3.14Å; D423-R425 PolarHBondContact OD1-N 2.83Å; D423-R425 VanDerWaalsContact OD1-N 3.15Å
426T78.7Confident85.3Confident51 Ų5151.5 Ų51.531%0.31326%0.262SS..EExtended strand (participates in β ladder)trans-13577-174.553.90000108.9D423 T428 I429D423-T426 CarbonylContact O-C 2.99Å; D423-T426 VanDerWaalsContact O-C 3.3Å; D423-T426 PolarHBondContact O-N 3.5Å; D423-T426 VanDerWaalsContact O-N 3.14Å; T426-T428 PolarHBondContact O-N 2.71Å; T426-T428 VanDerWaalsContact O-N 3.1Å; T426-I429 HydrophobicContact CG2-CD1 4.14Å; T426-I429 PolarHBondContact O-N 3.14Å
427P76.1Confident85.3Confident87 Ų8752.9 Ų52.957%0.56527%0.267SS*.EExtended strand (participates in β ladder)trans-63.4-20.8-174.325.1-34.9000113.2F422F422-P427 HydrophobicContact CD2-CB 4.33Å
428T77.5Confident85.2Confident127 Ų12752.9 Ų52.978%0.77927%0.267SS*.EExtended strand (participates in β ladder)trans-77.4-22.4177.252.50000113.3T426T426-T428 PolarHBondContact O-N 2.71Å; T426-T428 VanDerWaalsContact O-N 3.1Å
429I82.5Confident85.1Confident99 Ų9953.1 Ų53.151%0.50827%0.268SS..EExtended strand (participates in β ladder)trans-94.8112.1-177-57178.9000108.4T426 N431T426-I429 HydrophobicContact CG2-CD1 4.14Å; T426-I429 PolarHBondContact O-N 3.14Å; I429-N431 PolarHBondContact O-N 3.12Å
430I81.4Confident85.1Confident136 Ų13654 Ų5470%0.69727%0.273SS*.EExtended strand (participates in β ladder)trans-68.3104.8175.5-59.3170.2000108.4
431N85.1Confident85.2Confident65 Ų6553.6 Ų53.635%0.34827%0.271SS..EExtended strand (participates in β ladder)trans-134.580.3177.1-173.123.4000108.9P421 I429 V433P421-N431 CarbonylContact O-C 3.59Å; P421-N431 VanDerWaalsContact O-C 3.31Å; P421-N431 PolarHBondContact O-N 2.85Å; I429-N431 PolarHBondContact O-N 3.12Å; N431-V433 PolarHBondContact O-N 3.19Å
432P88.5Confident85.4Confident11 Ų1153.5 Ų53.57%0.07127%0.271CS..EExtended strand (participates in β ladder)trans-75131-17129.6-34000110.8R254 L345 E420R254-P432 HydrophobicContact CB-CG 4.17Å; R254-P432 PolarHBondContact N-O 2.95Å; L345-P432 HydrophobicContact CB-CB 4.49Å; L345-P432 HydrophobicContact CD2-CB 3.8Å; L345-P432 HydrophobicContact CD2-CG 4.5Å; L345-P432 VanDerWaalsContact O-CB 3.27Å; L345-P432 WeakPolarHBondContact O-CB 3.35Å; E420-P432 CarbonylContact O-C 3.31Å; E420-P432 VanDerWaalsContact O-CA 3.23Å; E420-P432 WeakPolarHBondContact O-CA 3.37Å
433V91.5Very high85.6Confident12 Ų1252.3 Ų52.37%0.07327%0.267CS..EExtended strand (participates in β ladder)trans-132.2136.2-177.8-178.30000109.4L251 T253 E420 N431 Y435L251-V433 HydrophobicContact CD1-CG1 3.3Å; L251-V433 HydrophobicContact CG-CG1 4.2Å; T253-V433 HydrophobicContact CG2-CG2 4.34Å; E420-V433 PolarHBondContact N-O 3.36Å; E420-V433 PolarHBondContact O-N 2.75Å; N431-V433 PolarHBondContact O-N 3.19Å; V433-Y435 HydrophobicContact CB-CE2 3.97Å; V433-Y435 HydrophobicContact CG1-CD1 4.4Å; V433-Y435 HydrophobicContact CG1-CD2 4.03Å; V433-Y435 HydrophobicContact CG1-CE1 3.96Å; V433-Y435 HydrophobicContact CG1-CE2 3.54Å; V433-Y435 HydrophobicContact CG1-CG 4.43Å; V433-Y435 VanDerWaalsContact CG1-CZ 3.5Å
434L93Very high86Confident0 Ų049.8 Ų49.80%025%0.254CS..EExtended strand (participates in β ladder)trans-110.7117.8173.4-177.6160.5000108.3I252 V341 L345 F404 L417 I419 F436I252-L434 HydrophobicContact CB-CB 4.29Å; I252-L434 HydrophobicContact CD1-CD2 4.48Å; I252-L434 PolarHBondContact N-O 3.31Å; I252-L434 PolarHBondContact O-N 3.05Å; V341-L434 HydrophobicContact CG1-CD1 4.32Å; L345-L434 HydrophobicContact CD1-CB 4.34Å; L345-L434 HydrophobicContact CD2-CB 4.06Å; L345-L434 HydrophobicContact CG-CB 4.25Å; F404-L434 HydrophobicContact CE2-CD2 3.77Å; F404-L434 HydrophobicContact CZ-CD1 4.43Å; F404-L434 HydrophobicContact CZ-CD2 3.95Å; L417-L434 HydrophobicContact CD1-CD2 4.39Å; L417-L434 HydrophobicContact CD2-CD1 4.25Å; L417-L434 HydrophobicContact CD2-CG 4.15Å; L417-L434 HydrophobicContact CG-CD2 4.23Å; L417-L434 HydrophobicContact CG-CG 4.34Å; I419-L434 HydrophobicContact CD1-CD1 4.38Å; I419-L434 HydrophobicContact CG1-CD1 4.24Å; I419-L434 HydrophobicContact CG1-CG 4.17Å; L434-F436 HydrophobicContact CD2-CB 4.45Å
435Y93.1Very high86.8Confident61 Ų6146.3 Ų46.324%0.23924%0.238CC..EExtended strand (participates in β ladder)trans-98.7119173.9-60.1-86.6000109.1L251 L417 I418 E420 V433 I633L251-Y435 HydrophobicContact CD1-CD1 3.27Å; L251-Y435 HydrophobicContact CD1-CE1 3.12Å; L251-Y435 HydrophobicContact CD1-CG 4.15Å; L417-Y435 WeakPolarHBondContact CA-O 3.4Å; I418-Y435 PolarHBondContact N-O 3.25Å; I418-Y435 PolarHBondContact O-N 2.98Å; E420-Y435 HydrophobicContact CB-CE2 4.44Å; E420-Y435 HydrophobicContact CG-CD2 4.36Å; E420-Y435 HydrophobicContact CG-CE2 4.1Å; E420-Y435 WeakPolarHBondContact OE2-CE2 3.09Å; V433-Y435 HydrophobicContact CB-CE2 3.97Å; V433-Y435 HydrophobicContact CG1-CD1 4.4Å; V433-Y435 HydrophobicContact CG1-CD2 4.03Å; V433-Y435 HydrophobicContact CG1-CE1 3.96Å; V433-Y435 HydrophobicContact CG1-CE2 3.54Å; V433-Y435 HydrophobicContact CG1-CG 4.43Å; V433-Y435 VanDerWaalsContact CG1-CZ 3.5Å; Y435-I633 HydrophobicContact CD1-CD1 3.64Å; Y435-I633 HydrophobicContact CD2-CD1 4.34Å; Y435-I633 HydrophobicContact CE1-CD1 3.92Å; Y435-I633 HydrophobicContact CG-CD1 3.88Å
436F93.4Very high87.6Confident1 Ų144.9 Ų44.90%0.00423%0.233CC..EExtended strand (participates in β ladder)trans-104.1101.7163.6-178.3-104.4000107.6S249 C250 P355 F404 L407 V408 F415 L434S249-F436 CarbonylContact C-O 3.3Å; S249-F436 VanDerWaalsContact CA-O 3.29Å; S249-F436 WeakPolarHBondContact CA-O 3.39Å; C250-F436 HydrophobicContact CB-CB 4.32Å; C250-F436 PolarHBondContact N-O 2.83Å; C250-F436 PolarHBondContact O-N 3.31Å; P355-F436 HydrophobicContact CG-CE2 4.18Å; F404-F436 HydrophobicContact CD2-CB 3.66Å; F404-F436 HydrophobicContact CD2-CD1 4.3Å; F404-F436 HydrophobicContact CD2-CD2 4.32Å; F404-F436 AromaticContact CD2-CG 3.82Å; F404-F436 HydrophobicContact CD2-CG 3.82Å; F404-F436 HydrophobicContact CE2-CB 3.63Å; F404-F436 AromaticContact CE2-CD2 3.92Å; F404-F436 HydrophobicContact CE2-CD2 3.92Å; F404-F436 AromaticContact CE2-CG 3.82Å; F404-F436 HydrophobicContact CE2-CG 3.82Å; L407-F436 HydrophobicContact CB-CD1 4.33Å; L407-F436 HydrophobicContact CB-CE1 3.6Å; L407-F436 HydrophobicContact CB-CZ 4.21Å; L407-F436 HydrophobicContact CD1-CE1 4.36Å; V408-F436 HydrophobicContact CB-CE2 4.26Å; V408-F436 HydrophobicContact CG2-CD2 3.61Å; V408-F436 HydrophobicContact CG2-CE1 4.46Å; V408-F436 HydrophobicContact CG2-CE2 3.44Å; V408-F436 VanDerWaalsContact CG2-CE2 3.44Å; V408-F436 HydrophobicContact CG2-CG 4.18Å; V408-F436 HydrophobicContact CG2-CZ 3.9Å; F415-F436 HydrophobicContact CB-CE2 3.94Å; F415-F436 HydrophobicContact CB-CZ 3.82Å; F415-F436 HydrophobicContact CD1-CD1 4.16Å; F415-F436 AromaticContact CD1-CE1 3.34Å; F415-F436 HydrophobicContact CD1-CE1 3.34Å; F415-F436 HydrophobicContact CD1-CE2 4.15Å; F415-F436 AromaticContact CD1-CZ 3.36Å; F415-F436 HydrophobicContact CD1-CZ 3.36Å; F415-F436 AromaticContact CE1-CE1 3.67Å; F415-F436 HydrophobicContact CE1-CE1 3.67Å; F415-F436 HydrophobicContact CE1-CZ 4.05Å; F415-F436 HydrophobicContact CG-CE1 4.15Å; F415-F436 HydrophobicContact CG-CE2 4.31Å; F415-F436 AromaticContact CG-CZ 3.68Å; F415-F436 HydrophobicContact CG-CZ 3.68Å; L434-F436 HydrophobicContact CD2-CB 4.45Å
437H92.5Very high87.9Confident36 Ų3646 Ų4617%0.16724%0.241CC..EExtended strand (participates in β ladder)trans-114.9134.1-167.1-156.571.3000111.4I245 S249 F415 C416 M439 I633I245-H437 WeakPolarHBondContact CG2-CE1 3.39Å; I245-H437 WeakPolarHBondContact CG2-NE2 3.48Å; S249-H437 PolarHBondContact OG-ND1 3.18Å; S249-H437 VanDerWaalsContact OG-ND1 3.12Å; F415-H437 WeakPolarHBondContact CA-O 3.31Å; C416-H437 PolarHBondContact N-O 3Å; C416-H437 PolarHBondContact O-N 3.24Å; H437-M439 HydrophobicContact CB-CE 4.11Å; H437-I633 HydrophobicContact CB-CG2 4.43Å; H437-I633 WeakPolarHBondContact CD2-CG2 3.32Å; H437-I633 WeakPolarHBondContact NE2-CG2 3.44Å
438C91.9Very high88.5Confident0 Ų042.3 Ų42.30%022%0.216CC..EExtended strand (participates in β ladder)trans-78.8126.4170.7-167.60000109I245 M248 S249 F415 D440I245-C438 WeakPolarHBondContact CG1-O 3.41Å; I245-C438 WeakPolarHBondContact CG2-O 3.41Å; M248-C438 HydrophobicContact CB-CB 3.87Å; S249-C438 PolarHBondContact OG-N 3.38Å; F415-C438 HydrophobicContact CD1-CB 3.96Å; F415-C438 HydrophobicContact CE1-CB 3.51Å; F415-C438 HydrophobicContact CZ-CB 4Å; C438-D440 PolarHBondContact SG-O 3.38Å
439M91.2Very high89Confident6 Ų637.2 Ų37.23%0.0318%0.184CC..  trans-97.8-19.7175.4-59.3-59.8174.500111.9G414 C416 H437 I633 A636 R637 F640G414-M439 PolarHBondContact O-N 3Å; C416-M439 HydrophobicContact CB-CE 3.53Å; C416-M439 HydrophobicContact CB-CG 4.26Å; H437-M439 HydrophobicContact CB-CE 4.11Å; M439-I633 HydrophobicContact CE-CG2 4.47Å; M439-A636 HydrophobicContact CE-CB 3.56Å; M439-A636 HydrophobicContact SD-CB 4.46Å; M439-R637 VanDerWaalsContact SD-CA 3.58Å; M439-R637 HydrophobicContact SD-CB 3.65Å; M439-R637 HydrophobicContact SD-CG 4.28Å; M439-F640 HydrophobicContact CB-CB 3.94Å; M439-F640 HydrophobicContact CB-CD1 3.7Å; M439-F640 HydrophobicContact CB-CD2 4.19Å; M439-F640 HydrophobicContact CB-CE1 4.26Å; M439-F640 HydrophobicContact CB-CG 3.66Å; M439-F640 HydrophobicContact CG-CB 4.46Å; M439-F640 WeakPolarHBondContact O-CD1 3.4Å
440D91.4Very high89.2Confident20 Ų2037.2 Ų37.211%0.10719%0.193CC..  trans-103.8104-174.6-169.9-10.9000111.8G414 C438 S442 L443 F640 Y645G414-D440 PolarHBondContact O-N 3.33Å; C438-D440 PolarHBondContact SG-O 3.38Å; D440-S442 PolarHBondContact O-N 2.81Å; D440-S442 WeakPolarHBondContact OD1-CB 3.34Å; D440-S442 PolarHBondContact OD1-N 3Å; D440-S442 PolarHBondContact OD1-OG 3.33Å; D440-S442 PolarHBondContact OD2-OG 3.36Å; D440-L443 HydrophobicContact CB-CD1 4.01Å; D440-L443 HydrophobicContact CB-CG 3.95Å; D440-F640 HydrophobicContact CB-CE1 3.69Å; D440-F640 HydrophobicContact CB-CZ 3.62Å; D440-Y645 PolarHBondContact OD1-OH 2.97Å; D440-Y645 VanDerWaalsContact OD1-OH 3.05Å
441A91.2Very high89.5Confident2 Ų234.3 Ų34.32%0.01717%0.173CC..THydrogen-bonded Turntrans-73-11.117800000113.5D241 C244 I245 P444 I471 L472D241-A441 HydrophobicContact CB-CB 3.96Å; C244-A441 HydrophobicContact CB-CB 4.12Å; I245-A441 HydrophobicContact CD1-CB 4.44Å; I245-A441 HydrophobicContact CG1-CB 4.38Å; A441-P444 WeakPolarHBondContact O-CD 3.42Å; A441-I471 HydrophobicContact CB-CG2 4.15Å; A441-L472 HydrophobicContact CB-CD2 3.94Å
442S90.9Very high89.7Confident5 Ų531.5 Ų31.54%0.03516%0.158CC..Hα-helixtrans-74.1-26.7177.876.40000112.4D440 I445 R446 L472 Y645D440-S442 PolarHBondContact O-N 2.81Å; D440-S442 WeakPolarHBondContact OD1-CB 3.34Å; D440-S442 PolarHBondContact OD1-N 3Å; D440-S442 PolarHBondContact OD1-OG 3.33Å; D440-S442 PolarHBondContact OD2-OG 3.36Å; S442-I445 WeakPolarHBondContact O-CG2 3.3Å; S442-I445 PolarHBondContact O-N 3.08Å; S442-R446 WeakPolarHBondContact O-CB 3.45Å; S442-R446 PolarHBondContact O-N 3.3Å; S442-L472 WeakPolarHBondContact CB-O 3.27Å; S442-Y645 PolarHBondContact OG-OH 3.28Å
443L87.8Confident89.7Confident40 Ų4032.9 Ų32.921%0.20917%0.166CC..Hα-helixtrans-61.2-46.9-174.1-61.2176.8000113.6Y411 F415 D440 P447Y411-L443 HydrophobicContact CD1-CD1 4.29Å; F415-L443 HydrophobicContact CD2-CD1 4.25Å; F415-L443 HydrophobicContact CE2-CD1 3.44Å; F415-L443 VanDerWaalsContact CE2-CD1 3.44Å; F415-L443 HydrophobicContact CZ-CD1 4.14Å; D440-L443 HydrophobicContact CB-CD1 4.01Å; D440-L443 HydrophobicContact CB-CG 3.95Å; L443-P447 WeakPolarHBondContact O-CD 3.25Å
444P85.5Confident89.7Confident12 Ų1232.4 Ų32.48%0.07816%0.163CC..Hα-helixtrans-76.2-29.6-179.3-17.234.7000113.1C244 M248 A441 P447C244-P444 HydrophobicContact CB-CB 4.22Å; C244-P444 HydrophobicContact CB-CG 3.8Å; C244-P444 WeakPolarHBondContact O-CG 3.42Å; M248-P444 HydrophobicContact CG-CG 3.68Å; A441-P444 WeakPolarHBondContact O-CD 3.42Å; P444-P447 WeakPolarHBondContact O-CD 3.45Å
445I88.5Confident89.8Confident1 Ų132.4 Ų32.41%0.00516%0.163CC..Hα-helixtrans-84.6-27.1-176.2-157.6170.6000112.7L214 I240 S442 I448 M449 L472L214-I445 HydrophobicContact CD2-CB 4.33Å; L214-I445 HydrophobicContact CD2-CG1 4.24Å; I240-I445 HydrophobicContact CD1-CD1 3.79Å; I240-I445 HydrophobicContact CG1-CD1 4.47Å; S442-I445 WeakPolarHBondContact O-CG2 3.3Å; S442-I445 PolarHBondContact O-N 3.08Å; I445-I448 WeakPolarHBondContact O-CA 3.43Å; I445-I448 WeakPolarHBondContact O-CB 3.33Å; I445-I448 PolarHBondContact O-N 3.2Å; I445-M449 HydrophobicContact CD1-CE 3.58Å; I445-M449 HydrophobicContact CG1-CE 3.91Å; I445-M449 HydrophobicContact CG1-CG 4.16Å; I445-M449 PolarHBondContact O-N 3.21Å; I445-L472 HydrophobicContact CD1-CD1 4.06Å; I445-L472 HydrophobicContact CD1-CD2 4.31Å; I445-L472 HydrophobicContact CG2-CB 4.36Å; I445-L472 HydrophobicContact CG2-CD2 4.33Å
446R87.8Confident89.8Confident171 Ų17129.5 Ų29.565%0.64515%0.152SC*.Hα-helixtrans-54.7-45.1-178.2175.7177.5-178.6164.23.3114.1S442 I448 M449 S450S442-R446 WeakPolarHBondContact O-CB 3.45Å; S442-R446 PolarHBondContact O-N 3.3Å; R446-I448 PolarHBondContact O-N 3.27Å; R446-M449 PolarHBondContact O-N 2.97Å; R446-S450 PolarHBondContact O-N 3.43Å; R446-S450 PolarHBondContact O-OG 3.48Å
447P85.5Confident89.9Confident75 Ų7529.4 Ų29.449%0.48715%0.151SC..Hα-helixtrans-62.8-27.4175.4-23.234.4000114L443 P444 S450 R451L443-P447 WeakPolarHBondContact O-CD 3.25Å; P444-P447 WeakPolarHBondContact O-CD 3.45Å; P447-S450 PolarHBondContact O-OG 3.09Å; P447-R451 WeakPolarHBondContact O-CB 3.25Å; P447-R451 PolarHBondContact O-N 3.22Å
448I87.9Confident89.9Confident9 Ų927.8 Ų27.85%0.04614%0.144CC..Hα-helixtrans-76.3-48.4178.4-62.3162.2000109L213 L214 I445 R446 S450 R451 F452 V455L213-I448 HydrophobicContact CD1-CG1 4.48Å; L213-I448 HydrophobicContact CD2-CD1 4.39Å; L213-I448 HydrophobicContact CD2-CG2 4.08Å; L213-I448 HydrophobicContact CG-CD1 3.8Å; L213-I448 HydrophobicContact CG-CG1 4.1Å; L213-I448 HydrophobicContact CG-CG2 4.39Å; L213-I448 WeakPolarHBondContact O-CD1 3.5Å; L214-I448 HydrophobicContact CD2-CD1 3.38Å; L214-I448 HydrophobicContact CG-CD1 4.18Å; I445-I448 WeakPolarHBondContact O-CA 3.43Å; I445-I448 WeakPolarHBondContact O-CB 3.33Å; I445-I448 PolarHBondContact O-N 3.2Å; R446-I448 PolarHBondContact O-N 3.27Å; I448-S450 VanDerWaalsContact C-N 3.28Å; I448-S450 PolarHBondContact O-N 3.41Å; I448-R451 PolarHBondContact O-N 3.13Å; I448-F452 HydrophobicContact CB-CD2 4.38Å; I448-F452 HydrophobicContact CG2-CD2 3.61Å; I448-F452 HydrophobicContact CG2-CE2 3.91Å; I448-F452 VanDerWaalsContact O-CD2 3.31Å; I448-F452 WeakPolarHBondContact O-CD2 3.32Å; I448-F452 PolarHBondContact O-N 2.76Å; I448-V455 HydrophobicContact CG2-CG2 4.37Å
449M88.6Confident89.8Confident20 Ų2027.8 Ų27.810%0.09914%0.144CC..Hα-helixtrans-61.3-35.9178.2-65.2-64.6-175.200112.2H37 I445 R446 V455 I457 F474H37-M449 PolarHBondContact CE1-O 2.94Å; H37-M449 VanDerWaalsContact CE1-O 3.24Å; H37-M449 PolarHBondContact NE2-O 3.15Å; I445-M449 HydrophobicContact CD1-CE 3.58Å; I445-M449 HydrophobicContact CG1-CE 3.91Å; I445-M449 HydrophobicContact CG1-CG 4.16Å; I445-M449 PolarHBondContact O-N 3.21Å; R446-M449 PolarHBondContact O-N 2.97Å; M449-V455 HydrophobicContact CE-CB 4.13Å; M449-V455 HydrophobicContact CE-CG1 3.74Å; M449-V455 HydrophobicContact SD-CB 3.59Å; M449-V455 VanDerWaalsContact SD-CB 3.59Å; M449-V455 HydrophobicContact SD-CG1 3.83Å; M449-V455 HydrophobicContact SD-CG2 3.72Å; M449-I457 HydrophobicContact CE-CD1 4.1Å; M449-F474 HydrophobicContact CE-CD1 4.48Å; M449-F474 HydrophobicContact CE-CD2 4.31Å; M449-F474 HydrophobicContact CE-CE2 4.5Å; M449-F474 HydrophobicContact CE-CG 4.3Å
450S86.7Confident89.5Confident99 Ų9927.5 Ų27.569%0.69214%0.142SC*.Hα-helixtrans-78.7-23.9177.567.10000114.1R446 P447 I448R446-S450 PolarHBondContact O-N 3.43Å; R446-S450 PolarHBondContact O-OG 3.48Å; P447-S450 PolarHBondContact O-OG 3.09Å; I448-S450 VanDerWaalsContact C-N 3.28Å; I448-S450 PolarHBondContact O-N 3.41Å
451R87.2Confident89.2Confident74 Ų7426.7 Ų26.728%0.27914%0.138SC..Hα-helixtrans-88.5-41.8-175.1179.1178.7176.71733113.2S223 R224 L226 K228 P447 I448S223-R451 PolarHBondContact O-NH1 3.15Å; S223-R451 PolarHBondContact O-NH2 3.48Å; R224-R451 VanDerWaalsContact C-NH2 3.27Å; R224-R451 PolarHBondContact O-NH2 3.27Å; L226-R451 PolarHBondContact O-NH2 3.35Å; K228-R451 HydrophobicContact CG-CG 4.46Å; P447-R451 WeakPolarHBondContact O-CB 3.25Å; P447-R451 PolarHBondContact O-N 3.22Å; I448-R451 PolarHBondContact O-N 3.13Å
452F90.2Very high88.8Confident7 Ų726.6 Ų26.63%0.03114%0.137CC..SBendtrans-97.3142.4-173.8-62.4-66.9000111.4I71 L213 L226 V232 I448 S454 V455I71-F452 HydrophobicContact CD1-CE1 3.84Å; I71-F452 HydrophobicContact CD1-CZ 4.08Å; L213-F452 HydrophobicContact CD1-CE2 3.91Å; L213-F452 HydrophobicContact CD1-CZ 4.18Å; L226-F452 HydrophobicContact CB-CE1 4.2Å; L226-F452 HydrophobicContact CB-CZ 4.44Å; L226-F452 HydrophobicContact CD1-CZ 4.39Å; V232-F452 HydrophobicContact CG2-CB 4.08Å; V232-F452 HydrophobicContact CG2-CD1 4.06Å; V232-F452 HydrophobicContact CG2-CD2 3.6Å; V232-F452 HydrophobicContact CG2-CE1 4.38Å; V232-F452 HydrophobicContact CG2-CE2 3.98Å; V232-F452 HydrophobicContact CG2-CG 3.63Å; V232-F452 HydrophobicContact CG2-CZ 4.34Å; I448-F452 HydrophobicContact CB-CD2 4.38Å; I448-F452 HydrophobicContact CG2-CD2 3.61Å; I448-F452 HydrophobicContact CG2-CE2 3.91Å; I448-F452 VanDerWaalsContact O-CD2 3.31Å; I448-F452 WeakPolarHBondContact O-CD2 3.32Å; I448-F452 PolarHBondContact O-N 2.76Å; F452-S454 PolarHBondContact O-N 3.47Å; F452-V455 HydrophobicContact CB-CG2 4.2Å
453T87.7Confident88.4Confident39 Ų3926.9 Ų26.924%0.23914%0.14CC..SBendtrans-62.4-44.3-177-50.80000112.8K35 K228K35-T453 CarbonylContact C-O 3.53Å; K35-T453 HydrophobicContact CB-CG2 3.55Å; K35-T453 HydrophobicContact CD-CG2 4Å; K35-T453 HydrophobicContact CG-CG2 3.69Å; K228-T453 PolarHBondContact O-N 3.4Å; K228-T453 PolarHBondContact O-OG1 2.91Å
454S92.3Very high88.4Confident2 Ų226.7 Ų26.71%0.01414%0.141CC..EExtended strand (participates in β ladder)trans-137.9130.8-179.2-700000110.3G36 V232 F452G36-S454 PolarHBondContact N-OG 3.13Å; G36-S454 WeakPolarHBondContact O-CA 3.46Å; G36-S454 VanDerWaalsContact O-CB 3.23Å; G36-S454 WeakPolarHBondContact O-CB 3.48Å; G36-S454 PolarHBondContact O-OG 3.07Å; V232-S454 PolarHBondContact N-O 3.35Å; F452-S454 PolarHBondContact O-N 3.47Å
455V94.2Very high88.5Confident0 Ų027.1 Ų27.10%014%0.142CC..EExtended strand (participates in β ladder)trans-124.6119.1176.1-177.10000107.2H37 G38 V232 F234 I448 M449 F452H37-V455 CarbonylContact C-O 3.6Å; H37-V455 WeakPolarHBondContact CA-O 3.2Å; H37-V455 WeakPolarHBondContact CB-O 3.31Å; H37-V455 PolarHBondContact ND1-N 2.92Å; G38-V455 PolarHBondContact N-O 3.04Å; V232-V455 HydrophobicContact CB-CG1 4.41Å; V232-V455 HydrophobicContact CB-CG2 4.31Å; V232-V455 HydrophobicContact CG1-CG1 4.48Å; V232-V455 CarbonylContact O-C 3.45Å; V232-V455 WeakPolarHBondContact O-CA 3.46Å; F234-V455 HydrophobicContact CD2-CG1 3.82Å; F234-V455 HydrophobicContact CE2-CG1 3.71Å; I448-V455 HydrophobicContact CG2-CG2 4.37Å; M449-V455 HydrophobicContact CE-CB 4.13Å; M449-V455 HydrophobicContact CE-CG1 3.74Å; M449-V455 HydrophobicContact SD-CB 3.59Å; M449-V455 VanDerWaalsContact SD-CB 3.59Å; M449-V455 HydrophobicContact SD-CG1 3.83Å; M449-V455 HydrophobicContact SD-CG2 3.72Å; F452-V455 HydrophobicContact CB-CG2 4.2Å
456I94.4Very high88.5Confident0 Ų033 Ų330%017%0.17CC..EExtended strand (participates in β ladder)trans-108.6121.1-177.7-63.7136.8000108L28 I32 G38 L40 V231 V232 V233 F234L28-I456 HydrophobicContact CD1-CD1 3.41Å; L28-I456 VanDerWaalsContact CD1-CD1 3.41Å; L28-I456 HydrophobicContact CD1-CG1 3.82Å; L28-I456 HydrophobicContact CD1-CG2 4.03Å; I32-I456 HydrophobicContact CG1-CD1 4.33Å; G38-I456 WeakPolarHBondContact O-CA 2.92Å; L40-I456 HydrophobicContact CD1-CG2 4.05Å; L40-I456 HydrophobicContact CG-CG2 4.49Å; V231-I456 HydrophobicContact CG1-CD1 3.63Å; V232-I456 PolarHBondContact O-N 3.39Å; V233-I456 CarbonylContact C-O 3.46Å; V233-I456 WeakPolarHBondContact CA-O 3.24Å; V233-I456 HydrophobicContact CG2-CB 3.97Å; V233-I456 HydrophobicContact CG2-CD1 3.86Å; V233-I456 HydrophobicContact CG2-CG2 4.42Å; F234-I456 PolarHBondContact N-O 2.74Å
457I94.5Very high88.5Confident0 Ų025 Ų250%014%0.14CC..EExtended strand (participates in β ladder)trans-100.6117.4174.2-63.8-179.4000107G38 V39 L40 F234 A237 I240 M449 L462 L472 F474G38-I457 PolarHBondContact O-N 2.85Å; V39-I457 WeakPolarHBondContact CA-O 3.43Å; V39-I457 HydrophobicContact CG1-CG2 4.42Å; L40-I457 PolarHBondContact N-O 3.42Å; F234-I457 HydrophobicContact CD2-CG1 4.46Å; A237-I457 HydrophobicContact CB-CG2 3.61Å; I240-I457 HydrophobicContact CD1-CD1 4.34Å; M449-I457 HydrophobicContact CE-CD1 4.1Å; I457-L462 HydrophobicContact CG2-CD1 4.14Å; I457-L472 HydrophobicContact CD1-CD1 3.96Å; I457-F474 HydrophobicContact CD1-CE1 4.14Å; I457-F474 HydrophobicContact CD1-CZ 3.77Å
458T92.8Very high88.8Confident1 Ų121.6 Ų21.61%0.00612%0.117CC..EExtended strand (participates in β ladder)trans-133.9142.4-179.5-162.60000112Y24 L40 V233 F234 D235 E236 A237Y24-T458 PolarHBondContact OH-OG1 3.37Å; L40-T458 VanDerWaalsContact O-CA 3.26Å; L40-T458 WeakPolarHBondContact O-CA 3.45Å; L40-T458 WeakPolarHBondContact O-CB 3.29Å; L40-T458 PolarHBondContact O-OG1 3.5Å; V233-T458 HydrophobicContact CG1-CG2 4.18Å; F234-T458 PolarHBondContact O-N 3.39Å; F234-T458 VanDerWaalsContact O-O 3.09Å; D235-T458 CarbonylContact C-O 3.41Å; D235-T458 HydrophobicContact CB-CG2 4.25Å; E236-T458 PolarHBondContact N-O 3.31Å; A237-T458 PolarHBondContact N-O 3.03Å; A237-T458 VanDerWaalsContact N-O 3.14Å
459S90.1Very high89Confident0 Ų022.3 Ų22.30%012%0.122CC..EExtended strand (participates in β ladder)trans-166.3164.7170.9169.90000108.4E41 M42 E236 T461E41-S459 WeakPolarHBondContact CA-O 3.3Å; M42-S459 PolarHBondContact N-O 3.26Å; E236-S459 PolarHBondContact OE2-OG 3.47Å; S459-T461 VanDerWaalsContact C-N 3.31Å; S459-T461 PolarHBondContact OG-N 2.85Å
460G84.9Confident89.1Confident0 Ų026.5 Ų26.50%014%0.137CC..SBendtrans-84-0.3176.600000116.4M42 K48 W697M42-G460 WeakPolarHBondContact O-CA 3.46Å; K48-G460 VanDerWaalsContact NZ-N 3.18Å; G460-W697 PolarHBondContact O-NE1 2.84Å; G460-W697 VanDerWaalsContact O-NE1 3.13Å
461T84.1Confident89.3Confident3 Ų322 Ų222%0.01811%0.105CC..  trans-137.424.5-17258.50000113.3S459 S463 A662 P695S459-T461 VanDerWaalsContact C-N 3.31Å; S459-T461 PolarHBondContact OG-N 2.85Å; T461-S463 VanDerWaalsContact C-N 3.31Å; T461-S463 PolarHBondContact O-N 2.83Å; T461-A662 HydrophobicContact CG2-CB 4.16Å; T461-A662 WeakPolarHBondContact CG2-O 3.41Å; T461-P695 HydrophobicContact CG2-CG 4.3Å
462L82.5Confident89.4Confident0 Ų018.7 Ų18.70%09%0.093CC..  trans-74.879.4175.9-55.8176000110.6V39 E41 H238 I457 L465 Y468V39-L462 HydrophobicContact CG1-CD1 3.9Å; E41-L462 HydrophobicContact CB-CB 4.21Å; E41-L462 HydrophobicContact CG-CB 4.42Å; H238-L462 HydrophobicContact CB-CD2 4.38Å; I457-L462 HydrophobicContact CG2-CD1 4.14Å; L462-L465 HydrophobicContact CB-CD2 3.71Å; L462-L465 HydrophobicContact CD1-CD2 4.44Å; L462-L465 WeakPolarHBondContact O-CD2 3.43Å; L462-L465 WeakPolarHBondContact O-CG 3.29Å; L462-Y468 HydrophobicContact CB-CD2 4.43Å; L462-Y468 HydrophobicContact CB-CE2 3.81Å; L462-Y468 HydrophobicContact CD2-CD2 4.42Å; L462-Y468 HydrophobicContact CD2-CE1 3.84Å; L462-Y468 HydrophobicContact CD2-CE2 3.71Å; L462-Y468 WeakPolarHBondContact CD2-OH 3.43Å; L462-Y468 HydrophobicContact CG-CE2 4.34Å
463S83.4Confident89.4Confident12 Ų1222.8 Ų22.88%0.08412%0.115CC..  trans-135.5136.9177.7-175.60000112.8T461 K693 L694T461-S463 VanDerWaalsContact C-N 3.31Å; T461-S463 PolarHBondContact O-N 2.83Å; S463-K693 WeakPolarHBondContact CB-O 3.34Å; S463-K693 PolarHBondContact OG-O 3.23Å; S463-K693 VanDerWaalsContact OG-O 3.09Å; S463-L694 PolarHBondContact OG-O 2.96Å
464P87.1Confident89.5Confident35 Ų3521.6 Ų21.623%0.22711%0.107CC..SBendcis-63.8144-20.223-37.6000113.8E466 M467 F655P464-E466 VanDerWaalsContact C-N 3.32Å; P464-E466 PolarHBondContact O-N 3.38Å; P464-M467 HydrophobicContact CG-CG 3.73Å; P464-M467 PolarHBondContact O-N 2.95Å; P464-F655 HydrophobicContact CG-CD2 4.27Å
465L87.4Confident89.4Confident22 Ų2229.5 Ų29.512%0.11514%0.143CC..THydrogen-bonded Turntrans-63.2-33.4179-75.4173.8000113.8V39 E41 L462 M467 Y468 P469 T479V39-L465 HydrophobicContact CG1-CD2 3.63Å; E41-L465 HydrophobicContact CB-CD1 4.43Å; E41-L465 HydrophobicContact CB-CD2 3.99Å; L462-L465 HydrophobicContact CB-CD2 3.71Å; L462-L465 HydrophobicContact CD1-CD2 4.44Å; L462-L465 WeakPolarHBondContact O-CD2 3.43Å; L462-L465 WeakPolarHBondContact O-CG 3.29Å; L465-M467 PolarHBondContact O-N 3.38Å; L465-M467 VanDerWaalsContact O-N 3.14Å; L465-Y468 PolarHBondContact O-N 2.68Å; L465-P469 WeakPolarHBondContact O-CD 3.33Å; L465-T479 HydrophobicContact CB-CG2 3.55Å; L465-T479 HydrophobicContact CD1-CG2 3.81Å; L465-T479 HydrophobicContact CD2-CG2 4.46Å; L465-T479 HydrophobicContact CG-CG2 4.16Å
466E88.3Confident89.3Confident125 Ų12531 Ų3158%0.58415%0.152SC*.THydrogen-bonded Turntrans-62.1-21.5-178.2-63.2-179.4-165.500114P464 R470P464-E466 VanDerWaalsContact C-N 3.32Å; P464-E466 PolarHBondContact O-N 3.38Å; E466-R470 WeakPolarHBondContact O-CG 3.49Å; E466-R470 IonicContact OE2-CZ 3.89Å; E466-R470 IonicContact OE2-NH2 3.81Å; E466-R470 PolarHBondContact OE2-NH2 3.33Å
467M89.2Confident89.2Confident2 Ų234.5 Ų34.51%0.0117%0.174CC..Hα-helixtrans-73.3-33.3-177.5-72.6-62.2-7000112.7P464 L465 R470 I471 V647 F652 F655P464-M467 HydrophobicContact CG-CG 3.73Å; P464-M467 PolarHBondContact O-N 2.95Å; L465-M467 PolarHBondContact O-N 3.38Å; L465-M467 VanDerWaalsContact O-N 3.14Å; M467-R470 PolarHBondContact O-N 3.02Å; M467-I471 HydrophobicContact CB-CD1 4.34Å; M467-I471 HydrophobicContact CE-CD1 4.1Å; M467-I471 WeakPolarHBondContact O-CB 3.23Å; M467-I471 WeakPolarHBondContact O-CD1 3.45Å; M467-I471 VanDerWaalsContact O-CG1 3.29Å; M467-I471 WeakPolarHBondContact O-CG1 3.43Å; M467-I471 PolarHBondContact O-N 3.1Å; M467-V647 HydrophobicContact CE-CG1 3.76Å; M467-V647 HydrophobicContact CE-CG2 4.47Å; M467-F652 HydrophobicContact CE-CD2 4.3Å; M467-F655 HydrophobicContact CB-CD2 4.12Å; M467-F655 HydrophobicContact CB-CE1 4.34Å; M467-F655 HydrophobicContact CB-CE2 3.78Å; M467-F655 HydrophobicContact CB-CZ 3.9Å; M467-F655 HydrophobicContact CE-CD1 4.33Å; M467-F655 HydrophobicContact CE-CG 4.36Å; M467-F655 HydrophobicContact CG-CD2 3.98Å; M467-F655 HydrophobicContact CG-CE2 4.16Å; M467-F655 HydrophobicContact CG-CG 4.27Å
468Y91.1Very high89Confident4 Ų435.9 Ų35.92%0.01618%0.181CC..Hα-helixtrans-67.6-48.2-176.7-66.5-89000112.5H238 I240 L462 L465 R470 I471 L472 F655 R659H238-Y468 PolarHBondContact O-OH 3.33Å; I240-Y468 HydrophobicContact CG2-CD1 4.35Å; I240-Y468 HydrophobicContact CG2-CE1 4.5Å; L462-Y468 HydrophobicContact CB-CD2 4.43Å; L462-Y468 HydrophobicContact CB-CE2 3.81Å; L462-Y468 HydrophobicContact CD2-CD2 4.42Å; L462-Y468 HydrophobicContact CD2-CE1 3.84Å; L462-Y468 HydrophobicContact CD2-CE2 3.71Å; L462-Y468 WeakPolarHBondContact CD2-OH 3.43Å; L462-Y468 HydrophobicContact CG-CE2 4.34Å; L465-Y468 PolarHBondContact O-N 2.68Å; Y468-R470 VanDerWaalsContact C-N 3.27Å; Y468-R470 PolarHBondContact O-N 3.03Å; Y468-I471 PolarHBondContact O-N 3.36Å; Y468-L472 WeakPolarHBondContact O-CB 3.06Å; Y468-L472 WeakPolarHBondContact O-CG 3.48Å; Y468-L472 PolarHBondContact O-N 3.12Å; Y468-F655 HydrophobicContact CE1-CZ 4.4Å; Y468-F655 HydrophobicContact CE2-CE2 4.14Å; Y468-F655 AromaticContact CE2-CZ 3.98Å; Y468-F655 HydrophobicContact CE2-CZ 3.98Å; Y468-F655 AromaticContact CZ-CZ 3.88Å; Y468-R659 WeakPolarHBondContact OH-CD 3.5Å
469P91.4Very high88.9Confident23 Ų2338.9 Ų38.915%0.14920%0.2CC..Hα-helixtrans-56.2-39.1172.5-28.738.3000113.3L465 D473 F474 P476L465-P469 WeakPolarHBondContact O-CD 3.33Å; P469-D473 WeakPolarHBondContact O-CA 2.97Å; P469-D473 PolarHBondContact O-N 2.96Å; P469-D473 VanDerWaalsContact O-N 3.08Å; P469-F474 HydrophobicContact CB-CE1 4.48Å; P469-F474 WeakPolarHBondContact CB-O 3.36Å; P469-F474 HydrophobicContact CG-CZ 4.34Å; P469-F474 PolarHBondContact O-N 2.87Å; P469-P476 HydrophobicContact CB-CG 4.4Å; P469-P476 HydrophobicContact CG-CG 3.81Å
470R90.6Very high88.9Confident108 Ų10840.6 Ų40.641%0.40821%0.21SC..Hα-helixtrans-68.9-41.6179.3-69-176.7-16916512.9113.1E466 M467 Y468 Y645E466-R470 WeakPolarHBondContact O-CG 3.49Å; E466-R470 IonicContact OE2-CZ 3.89Å; E466-R470 IonicContact OE2-NH2 3.81Å; E466-R470 PolarHBondContact OE2-NH2 3.33Å; M467-R470 PolarHBondContact O-N 3.02Å; Y468-R470 VanDerWaalsContact C-N 3.27Å; Y468-R470 PolarHBondContact O-N 3.03Å; R470-Y645 WeakPolarHBondContact O-CD1 3.34Å
471I91Very high89.1Confident5 Ų543 Ų433%0.02623%0.227CC..Hα-helixtrans-77.5-35.1-177.1-67.8163.6000111.9D241 A441 M467 Y468 F652 F655D241-I471 HydrophobicContact CB-CG2 4.12Å; A441-I471 HydrophobicContact CB-CG2 4.15Å; M467-I471 HydrophobicContact CB-CD1 4.34Å; M467-I471 HydrophobicContact CE-CD1 4.1Å; M467-I471 WeakPolarHBondContact O-CB 3.23Å; M467-I471 WeakPolarHBondContact O-CD1 3.45Å; M467-I471 VanDerWaalsContact O-CG1 3.29Å; M467-I471 WeakPolarHBondContact O-CG1 3.43Å; M467-I471 PolarHBondContact O-N 3.1Å; Y468-I471 PolarHBondContact O-N 3.36Å; I471-F652 HydrophobicContact CD1-CD2 4.17Å; I471-F652 HydrophobicContact CD1-CE2 3.82Å; I471-F655 HydrophobicContact CD1-CD1 4.46Å; I471-F655 HydrophobicContact CD1-CE1 3.92Å
472L90.8Very high89.3Confident4 Ų443.6 Ų43.62%0.02123%0.229CC..Hα-helixtrans-95.5-1.5-175.5-61.1173.3000113.1I240 A441 S442 I445 I457 Y468 F474I240-L472 HydrophobicContact CG2-CD1 3.82Å; I240-L472 HydrophobicContact CG2-CD2 4.45Å; A441-L472 HydrophobicContact CB-CD2 3.94Å; S442-L472 WeakPolarHBondContact CB-O 3.27Å; I445-L472 HydrophobicContact CD1-CD1 4.06Å; I445-L472 HydrophobicContact CD1-CD2 4.31Å; I445-L472 HydrophobicContact CG2-CB 4.36Å; I445-L472 HydrophobicContact CG2-CD2 4.33Å; I457-L472 HydrophobicContact CD1-CD1 3.96Å; Y468-L472 WeakPolarHBondContact O-CB 3.06Å; Y468-L472 WeakPolarHBondContact O-CG 3.48Å; Y468-L472 PolarHBondContact O-N 3.12Å; L472-F474 HydrophobicContact CB-CD1 3.58Å; L472-F474 HydrophobicContact CB-CE1 3.74Å; L472-F474 HydrophobicContact CD1-CE1 3.9Å; L472-F474 HydrophobicContact CG-CE1 4.41Å
473D89.2Confident89.4Confident93 Ų9347.6 Ų47.650%0.49725%0.254SS..THydrogen-bonded Turntrans53.155.9178.6-166.530.9000113.6P469 Y645P469-D473 WeakPolarHBondContact O-CA 2.97Å; P469-D473 PolarHBondContact O-N 2.96Å; P469-D473 VanDerWaalsContact O-N 3.08Å; D473-Y645 HydrophobicContact CB-CE1 4.09Å
474F90.4Very high89.2Confident14 Ų1447.6 Ų47.66%0.06125%0.253CS..  trans-140.5157.1176.278.2-75.5000112.2H37 V39 M449 I457 P469 L472 P476H37-F474 HydrophobicContact CB-CD2 4.12Å; H37-F474 HydrophobicContact CB-CE2 4.26Å; V39-F474 HydrophobicContact CG2-CE2 3.9Å; V39-F474 HydrophobicContact CG2-CZ 3.55Å; M449-F474 HydrophobicContact CE-CD1 4.48Å; M449-F474 HydrophobicContact CE-CD2 4.31Å; M449-F474 HydrophobicContact CE-CE2 4.5Å; M449-F474 HydrophobicContact CE-CG 4.3Å; I457-F474 HydrophobicContact CD1-CE1 4.14Å; I457-F474 HydrophobicContact CD1-CZ 3.77Å; P469-F474 HydrophobicContact CB-CE1 4.48Å; P469-F474 WeakPolarHBondContact CB-O 3.36Å; P469-F474 HydrophobicContact CG-CZ 4.34Å; P469-F474 PolarHBondContact O-N 2.87Å; L472-F474 HydrophobicContact CB-CD1 3.58Å; L472-F474 HydrophobicContact CB-CE1 3.74Å; L472-F474 HydrophobicContact CD1-CE1 3.9Å; L472-F474 HydrophobicContact CG-CE1 4.41Å; F474-P476 HydrophobicContact CD2-CB 4.48Å; F474-P476 HydrophobicContact CE2-CB 3.91Å; F474-P476 HydrophobicContact CE2-CG 4.22Å; F474-P476 WeakPolarHBondContact O-CD 3.48Å
475H90.6Very high88.9Confident169 Ų16948.7 Ų48.778%0.78226%0.258SS*.  trans-109101.4-179.7-63.582.9000109.4
476P91.7Very high88.6Confident30 Ų3049 Ų4920%0.19526%0.26CS..  trans-71.3146.5174.329.3-34.3000111.2H37 V39 P469 F474 T479H37-P476 CarbonylContact O-C 3.57Å; H37-P476 WeakPolarHBondContact O-CA 3.21Å; V39-P476 HydrophobicContact CG2-CB 4.06Å; V39-P476 HydrophobicContact CG2-CG 4.26Å; P469-P476 HydrophobicContact CB-CG 4.4Å; P469-P476 HydrophobicContact CG-CG 3.81Å; F474-P476 HydrophobicContact CD2-CB 4.48Å; F474-P476 HydrophobicContact CE2-CB 3.91Å; F474-P476 HydrophobicContact CE2-CG 4.22Å; F474-P476 WeakPolarHBondContact O-CD 3.48Å; P476-T479 WeakPolarHBondContact CG-OG1 3.29Å
477V91.6Very high88.1Confident75 Ų7544.7 Ų44.746%0.45525%0.246SC..SBendtrans-72.6-47.6171.3179.20000109.8A34 H37A34-V477 HydrophobicContact CB-CG1 3.91Å; H37-V477 PolarHBondContact O-N 3.11Å
478N89.6Confident87.8Confident29 Ų2946.7 Ų46.716%0.15525%0.253CS..EExtended strand (participates in β ladder)trans-120.9134.8175.6-60.62.4000110.3E27 T31 G38 V39 V480E27-N478 PolarHBondContact OE2-ND2 3.47Å; T31-N478 HydrophobicContact CG2-CB 3.51Å; G38-N478 WeakPolarHBondContact CA-O 3.23Å; V39-N478 PolarHBondContact N-O 2.97Å; N478-V480 HydrophobicContact CB-CG2 4.26Å
479T91.4Very high87.5Confident63 Ų6350.1 Ų50.139%0.38727%0.272SS..EExtended strand (participates in β ladder)trans-126.2105.2169.5-60.50000107.3V39 L465 P476V39-T479 HydrophobicContact CB-CG2 4.46Å; V39-T479 WeakPolarHBondContact O-CA 3.14Å; L465-T479 HydrophobicContact CB-CG2 3.55Å; L465-T479 HydrophobicContact CD1-CG2 3.81Å; L465-T479 HydrophobicContact CD2-CG2 4.46Å; L465-T479 HydrophobicContact CG-CG2 4.16Å; P476-T479 WeakPolarHBondContact CG-OG1 3.29Å
480V90.7Very high87.2Confident36 Ų3649.3 Ų49.322%0.21827%0.267CS..EExtended strand (participates in β ladder)trans-131.9134.1-170.5-175.50000110.4E27 V39 L40 E41 N478 F482E27-V480 HydrophobicContact CG-CG1 4.42Å; E27-V480 HydrophobicContact CG-CG2 4.16Å; V39-V480 PolarHBondContact O-N 3.39Å; L40-V480 HydrophobicContact CD2-CB 4.1Å; L40-V480 HydrophobicContact CD2-CG2 4.4Å; E41-V480 PolarHBondContact N-O 3.45Å; N478-V480 HydrophobicContact CB-CG2 4.26Å; V480-F482 HydrophobicContact CB-CE2 4.32Å; V480-F482 HydrophobicContact CB-CZ 4.11Å; V480-F482 HydrophobicContact CG1-CD1 4.21Å; V480-F482 HydrophobicContact CG1-CE1 3.67Å; V480-F482 HydrophobicContact CG1-CE2 3.97Å; V480-F482 HydrophobicContact CG1-CZ 3.52Å
481S89.6Confident87.1Confident50 Ų5044.3 Ų44.335%0.3525%0.249SC..EExtended strand (participates in β ladder)trans-109125.4169.7-176.60000109.5E41E41-S481 VanDerWaalsContact OE2-CB 3.23Å; E41-S481 WeakPolarHBondContact OE2-CB 3.49Å; E41-S481 PolarHBondContact OE2-OG 2.95Å
482F88.2Confident87.2Confident16 Ų1644.7 Ų44.77%0.0725%0.251CS..PPolyproline II helixtrans-95.3130.9176.4-58.9-76.4000110.3H23 Y24 E27 L40 E41 M42 P43 V480H23-F482 HydrophobicContact CB-CD1 4.14Å; H23-F482 HydrophobicContact CB-CE1 3.87Å; Y24-F482 AromaticContact CD2-CD2 3.87Å; Y24-F482 HydrophobicContact CD2-CD2 3.87Å; Y24-F482 AromaticContact CD2-CE2 3.46Å; Y24-F482 HydrophobicContact CD2-CE2 3.46Å; Y24-F482 VanDerWaalsContact CD2-CE2 3.46Å; Y24-F482 HydrophobicContact CD2-CZ 4.18Å; Y24-F482 HydrophobicContact CE2-CE2 4.27Å; Y24-F482 HydrophobicContact CG-CE2 4.3Å; E27-F482 HydrophobicContact CB-CZ 3.98Å; E27-F482 HydrophobicContact CG-CE1 4.25Å; E27-F482 HydrophobicContact CG-CZ 3.95Å; L40-F482 HydrophobicContact CB-CE2 4.41Å; L40-F482 HydrophobicContact CD2-CE2 4.5Å; E41-F482 WeakPolarHBondContact O-CD2 3.47Å; E41-F482 PolarHBondContact O-N 3.24Å; M42-F482 HydrophobicContact CB-CD2 4.16Å; M42-F482 HydrophobicContact CG-CD2 4.5Å; P43-F482 VanDerWaalsContact CD-O 3.3Å; P43-F482 WeakPolarHBondContact CD-O 3.46Å; P43-F482 VanDerWaalsContact CG-O 3.26Å; P43-F482 WeakPolarHBondContact CG-O 3.4Å; V480-F482 HydrophobicContact CB-CE2 4.32Å; V480-F482 HydrophobicContact CB-CZ 4.11Å; V480-F482 HydrophobicContact CG1-CD1 4.21Å; V480-F482 HydrophobicContact CG1-CE1 3.67Å; V480-F482 HydrophobicContact CG1-CE2 3.97Å; V480-F482 HydrophobicContact CG1-CZ 3.52Å
483T83.7Confident87.3Confident84 Ų8444.6 Ų44.652%0.51525%0.25SS..PPolyproline II helixtrans-87146.7171.753.70000110E20 T485E20-T483 WeakPolarHBondContact CG-O 3.4Å; T483-T485 PolarHBondContact O-N 3.46Å
484M79.1Confident87.6Confident13 Ų1340.2 Ų40.26%0.06423%0.226CC..PPolyproline II helixtrans-81.6116.3179.3-170.9165.857.200110.2P43 T46 L486 V491 W697P43-M484 HydrophobicContact CB-CB 4.26Å; P43-M484 HydrophobicContact CG-CB 4.08Å; T46-M484 HydrophobicContact CG2-CG 4.42Å; T46-M484 HydrophobicContact CG2-SD 4.44Å; M484-L486 HydrophobicContact CE-CD1 3.78Å; M484-L486 HydrophobicContact CE-CD2 3.74Å; M484-L486 HydrophobicContact CE-CG 3.99Å; M484-L486 HydrophobicContact CG-CD2 3.69Å; M484-L486 HydrophobicContact CG-CG 3.94Å; M484-L486 PolarHBondContact O-N 3.41Å; M484-L486 HydrophobicContact SD-CD2 3.79Å; M484-L486 HydrophobicContact SD-CG 4.44Å; M484-V491 HydrophobicContact CE-CG2 3.82Å; M484-W697 HydrophobicContact CB-CB 4.12Å; M484-W697 HydrophobicContact CE-CE3 3.96Å; M484-W697 HydrophobicContact CE-CZ3 4.36Å
485T82Confident87.8Confident57 Ų5739.5 Ų39.535%0.3522%0.224SC..  trans-82.7115.5171.7-47.50000108.7E20 T483 K672E20-T485 VanDerWaalsContact OE1-CA 3.29Å; E20-T485 WeakPolarHBondContact OE1-CA 3.47Å; E20-T485 WeakPolarHBondContact OE1-CB 3.49Å; E20-T485 PolarHBondContact OE1-N 3.08Å; E20-T485 PolarHBondContact OE1-OG1 3.09Å; T483-T485 PolarHBondContact O-N 3.46Å; T485-K672 PolarHBondContact O-NZ 2.87Å
486L79.8Confident88Confident29 Ų2931.5 Ų31.515%0.15219%0.186CC..  trans-114.5132-177.3-68179.4000109.8M484 R488 C490 V491M484-L486 HydrophobicContact CE-CD1 3.78Å; M484-L486 HydrophobicContact CE-CD2 3.74Å; M484-L486 HydrophobicContact CE-CG 3.99Å; M484-L486 HydrophobicContact CG-CD2 3.69Å; M484-L486 HydrophobicContact CG-CG 3.94Å; M484-L486 PolarHBondContact O-N 3.41Å; M484-L486 HydrophobicContact SD-CD2 3.79Å; M484-L486 HydrophobicContact SD-CG 4.44Å; L486-R488 VanDerWaalsContact CB-O 3.26Å; L486-R488 WeakPolarHBondContact CB-O 3.45Å; L486-R488 PolarHBondContact O-N 3.31Å; L486-C490 HydrophobicContact CD1-CB 4.43Å; L486-C490 HydrophobicContact CD2-CB 4.36Å; L486-V491 HydrophobicContact CD1-CG2 4.47Å
487A79.3Confident88.1Confident35 Ų3530.4 Ų30.429%0.28918%0.179SC..SBendtrans-72.4-17.4167.800000111.7F729 Q734 L737 A738A487-F729 HydrophobicContact CB-CZ 4.09Å; A487-Q734 HydrophobicContact CB-CG 4.29Å; A487-L737 HydrophobicContact CB-CB 4.41Å; A487-A738 HydrophobicContact CB-CB 3.89Å
488R82.2Confident88.2Confident43 Ų4329.5 Ų29.516%0.16217%0.169CC..SBendtrans-149.5142.2-177.9179.2-176.5-156.1-17510.7109.2L486 C490 L724 M725 F729L486-R488 VanDerWaalsContact CB-O 3.26Å; L486-R488 WeakPolarHBondContact CB-O 3.45Å; L486-R488 PolarHBondContact O-N 3.31Å; R488-C490 VanDerWaalsContact C-N 3.26Å; R488-C490 PolarHBondContact O-N 3.14Å; R488-C490 PolarHBondContact O-SG 3.46Å; R488-L724 PolarHBondContact NH2-O 3.46Å; R488-M725 HydrophobicContact CG-CE 3.82Å; R488-M725 HydrophobicContact CG-SD 4.04Å; R488-M725 VanDerWaalsContact CZ-CA 3.48Å; R488-M725 PolarHBondContact NE-SD 2.9Å; R488-M725 PolarHBondContact NH1-O 3.44Å; R488-M725 VanDerWaalsContact NH2-CA 3.28Å; R488-F729 HydrophobicContact CB-CE2 4.16Å; R488-F729 HydrophobicContact CB-CZ 4.01Å
489N84.4Confident88.2Confident77 Ų7728.1 Ų28.141%0.41216%0.162SC..  trans-66.785.1174.8-62.6-2.6000110.6V491 Q701 F721 M725N489-V491 PolarHBondContact O-N 3.28Å; N489-Q701 PolarHBondContact OD1-OE1 3.35Å; N489-F721 VanDerWaalsContact O-CE2 3.26Å; N489-F721 WeakPolarHBondContact O-CE2 3.43Å; N489-M725 WeakPolarHBondContact O-CE 3.41Å
490C84.5Confident88.2Confident5 Ų527.4 Ų27.43%0.03416%0.156CC..  trans-71.2-11.9179.7-65.30000112.7L486 R488 K672 D674 Y675 G676L486-C490 HydrophobicContact CD1-CB 4.43Å; L486-C490 HydrophobicContact CD2-CB 4.36Å; R488-C490 VanDerWaalsContact C-N 3.26Å; R488-C490 PolarHBondContact O-N 3.14Å; R488-C490 PolarHBondContact O-SG 3.46Å; C490-K672 PolarHBondContact SG-O 2.72Å; C490-D674 VanDerWaalsContact CB-O 3.25Å; C490-D674 WeakPolarHBondContact CB-O 3.26Å; C490-Y675 CarbonylContact O-C 3.58Å; C490-Y675 WeakPolarHBondContact O-CA 3.36Å; C490-Y675 WeakPolarHBondContact O-CB 3.37Å; C490-G676 PolarHBondContact O-N 3.35Å
491V89.3Confident88.1Confident4 Ų428.6 Ų28.62%0.02416%0.161CC..EExtended strand (participates in β ladder)trans-124.9133.9-174-160.30000109M484 L486 N489 I669 M678 W697M484-V491 HydrophobicContact CE-CG2 3.82Å; L486-V491 HydrophobicContact CD1-CG2 4.47Å; N489-V491 PolarHBondContact O-N 3.28Å; V491-I669 HydrophobicContact CB-CD1 4.03Å; V491-I669 HydrophobicContact CG1-CD1 3.79Å; V491-I669 HydrophobicContact CG2-CD1 3.13Å; V491-I669 HydrophobicContact CG2-CG1 4.27Å; V491-M678 HydrophobicContact CG1-CE 3.4Å; V491-M678 VanDerWaalsContact CG1-CE 3.4Å; V491-M678 HydrophobicContact CG1-CG 4.18Å; V491-M678 HydrophobicContact CG1-SD 3.51Å; V491-M678 VanDerWaalsContact CG1-SD 3.51Å; V491-W697 HydrophobicContact CG1-CZ3 4.46Å; V491-W697 HydrophobicContact CG2-CZ3 4.4Å
492L92.4Very high88.1Confident13 Ų1331.7 Ų31.77%0.06817%0.17CC..EExtended strand (participates in β ladder)trans-120.390.6169.4-178.662.3000109.9M494 G676 M678 F706 F721L492-M494 HydrophobicContact CD1-CG 4.1Å; L492-M494 HydrophobicContact CD1-SD 4.47Å; L492-M494 HydrophobicContact CD2-CE 4.35Å; L492-M494 HydrophobicContact CD2-CG 4.2Å; L492-M494 HydrophobicContact CD2-SD 3.71Å; L492-M494 HydrophobicContact CG-CG 3.74Å; L492-M494 HydrophobicContact CG-SD 3.95Å; L492-G676 PolarHBondContact N-O 2.92Å; L492-G676 VanDerWaalsContact N-O 3.17Å; L492-M678 PolarHBondContact O-N 2.71Å; L492-F706 HydrophobicContact CD1-CD1 4.37Å; L492-F706 HydrophobicContact CD1-CD2 3.8Å; L492-F706 HydrophobicContact CD1-CE1 4.21Å; L492-F706 HydrophobicContact CD1-CE2 3.61Å; L492-F706 HydrophobicContact CD1-CG 4.19Å; L492-F706 HydrophobicContact CD1-CZ 3.83Å; L492-F721 HydrophobicContact CB-CD1 4.25Å; L492-F721 HydrophobicContact CB-CD2 3.66Å; L492-F721 HydrophobicContact CB-CE1 4.27Å; L492-F721 HydrophobicContact CB-CE2 3.66Å; L492-F721 HydrophobicContact CB-CG 3.94Å; L492-F721 HydrophobicContact CB-CZ 3.98Å; L492-F721 HydrophobicContact CD2-CB 3.57Å; L492-F721 HydrophobicContact CD2-CD1 4.43Å; L492-F721 HydrophobicContact CD2-CD2 4.02Å; L492-F721 HydrophobicContact CD2-CG 3.77Å; L492-F721 HydrophobicContact CG-CD2 4.35Å; L492-F721 HydrophobicContact CG-CG 4.48Å
493P93.8Very high88.3Confident2 Ų232.8 Ų32.81%0.01318%0.178CC..EExtended strand (participates in β ladder)trans-76.9130.4168.332.4-31.5000110.1M678 I698 Q701 L702P493-M678 CarbonylContact C-O 3.58Å; P493-M678 VanDerWaalsContact CA-O 3.31Å; P493-M678 WeakPolarHBondContact CA-O 3.42Å; P493-M678 HydrophobicContact CB-CB 4.4Å; P493-I698 HydrophobicContact CB-CG2 3.93Å; P493-I698 HydrophobicContact CG-CG2 4.33Å; P493-Q701 HydrophobicContact CG-CB 3.81Å; P493-L702 HydrophobicContact CB-CD1 4.18Å; P493-L702 HydrophobicContact CG-CB 4.02Å; P493-L702 HydrophobicContact CG-CD1 4.32Å; P493-L702 WeakPolarHBondContact O-CD1 3.3Å
494M94.7Very high88.7Confident0 Ų031.7 Ų31.70%017%0.172CC..EExtended strand (participates in β ladder)trans-136.7146.3177.4-54.2-173.5-63.800110.6L492 I677 M678 I679 L680 F706 L709 A717 S718L492-M494 HydrophobicContact CD1-CG 4.1Å; L492-M494 HydrophobicContact CD1-SD 4.47Å; L492-M494 HydrophobicContact CD2-CE 4.35Å; L492-M494 HydrophobicContact CD2-CG 4.2Å; L492-M494 HydrophobicContact CD2-SD 3.71Å; L492-M494 HydrophobicContact CG-CG 3.74Å; L492-M494 HydrophobicContact CG-SD 3.95Å; M494-I677 HydrophobicContact CE-CG2 3.77Å; M494-M678 PolarHBondContact N-O 3.48Å; M494-I679 HydrophobicContact CE-CD1 3.96Å; M494-I679 HydrophobicContact CE-CG1 3.86Å; M494-L680 PolarHBondContact O-N 3.29Å; M494-F706 HydrophobicContact CB-CB 4.38Å; M494-F706 HydrophobicContact CG-CB 4.08Å; M494-F706 HydrophobicContact CG-CD1 4.3Å; M494-F706 HydrophobicContact CG-CG 4.27Å; M494-F706 HydrophobicContact SD-CD1 4.28Å; M494-L709 HydrophobicContact CB-CD1 3.99Å; M494-L709 HydrophobicContact CG-CD1 4.2Å; M494-L709 HydrophobicContact SD-CD1 3.79Å; M494-A717 HydrophobicContact SD-CB 3.59Å; M494-A717 VanDerWaalsContact SD-CB 3.59Å; M494-S718 WeakPolarHBondContact CE-OG 3.44Å
495I95.8Very high89.3Confident0 Ų031.1 Ų31.10%017%0.169CC..EExtended strand (participates in β ladder)trans-110.4109.6174.9-61168.3000108.7L680 A686 L702 F706 I707 N708 L709I495-L680 WeakPolarHBondContact CA-O 3.1Å; I495-L680 HydrophobicContact CG1-CB 4.03Å; I495-L680 HydrophobicContact CG1-CD1 4.02Å; I495-A686 HydrophobicContact CG2-CB 4.31Å; I495-L702 HydrophobicContact CD1-CD1 4.36Å; I495-L702 HydrophobicContact CD1-CD2 3.82Å; I495-L702 HydrophobicContact CG1-CD1 4.31Å; I495-F706 PolarHBondContact N-O 3.24Å; I495-I707 HydrophobicContact CD1-CG2 4.45Å; I495-N708 PolarHBondContact O-N 2.99Å; I495-L709 PolarHBondContact O-N 3Å
496V95.3Very high89.8Confident0 Ų029.2 Ų29.20%016%0.158CC..EExtended strand (participates in β ladder)trans-90.8109.3174.9-178.90000108M505 L524 I679 L680 D682 L709 I711V496-M505 HydrophobicContact CG1-SD 3.93Å; V496-L524 HydrophobicContact CG1-CD2 4.36Å; V496-I679 HydrophobicContact CB-CG2 4.33Å; V496-I679 HydrophobicContact CG2-CG2 3.7Å; V496-L680 PolarHBondContact N-O 3.44Å; V496-D682 PolarHBondContact O-N 3.36Å; V496-L709 WeakPolarHBondContact CA-O 3.43Å; V496-I711 HydrophobicContact CG1-CG1 4.2Å
497S92.7Very high90.2Very high7 Ų727.8 Ų27.85%0.04915%0.15CC..EExtended strand (participates in β ladder)trans-105.4-18.2-171.969.70000113.8P504 M505 N708 L709S497-P504 WeakPolarHBondContact O-CA 3.49Å; S497-M505 PolarHBondContact O-N 3.37Å; S497-N708 WeakPolarHBondContact CB-OD1 3.21Å; S497-N708 WeakPolarHBondContact OG-CA 3.25Å; S497-N708 WeakPolarHBondContact OG-CB 3.16Å; S497-N708 PolarHBondContact OG-OD1 2.71Å; S497-L709 PolarHBondContact N-O 3.32Å
498K93.1Very high90.5Very high56 Ų5631.3 Ų31.324%0.24316%0.159CC..EExtended strand (participates in β ladder)trans-141.8145.6-172.861.7-172-174.5163.90112V503 S710 I711K498-V503 CarbonylContact C-O 3.49Å; K498-V503 WeakPolarHBondContact CA-O 3.38Å; K498-S710 WeakPolarHBondContact O-CA 3.48Å; K498-I711 PolarHBondContact O-N 2.88Å
499G91.1Very high90.5Very high0 Ų036.5 Ų36.50%018%0.183CC..  trans-70.9174.1171.400000112.3D501 Q502 V503G499-D501 PolarHBondContact O-N 2.95Å; G499-Q502 WeakPolarHBondContact O-CA 3.46Å; G499-Q502 PolarHBondContact O-N 3.46Å; G499-V503 PolarHBondContact N-O 3.16Å
500N90Very high90.3Very high48 Ų4841.4 Ų41.426%0.25720%0.203SC..THydrogen-bonded Turntrans-66-27.3172.6-72.1-14000111.8Q502 I711 E712N500-Q502 PolarHBondContact O-N 3.48Å; N500-I711 WeakPolarHBondContact OD1-CB 3.29Å; N500-E712 PolarHBondContact ND2-OE1 3.15Å; N500-E712 PolarHBondContact OD1-N 3.25Å; N500-E712 VanDerWaalsContact OD1-N 3.11Å
501D90.3Very high90.1Very high61 Ų6142.2 Ų42.233%0.32621%0.209SC..THydrogen-bonded Turntrans-789.7171.357.93.7000113.6G499 V503 R519 N520G499-D501 PolarHBondContact O-N 2.95Å; D501-V503 HydrophobicContact CB-CG2 4.27Å; D501-V503 VanDerWaalsContact CG-CG2 3.44Å; D501-V503 PolarHBondContact O-N 2.88Å; D501-V503 VanDerWaalsContact O-N 3.11Å; D501-V503 WeakPolarHBondContact OD1-CB 3.31Å; D501-V503 WeakPolarHBondContact OD1-CG2 3.22Å; D501-V503 PolarHBondContact OD1-N 2.9Å; D501-V503 VanDerWaalsContact OD1-N 3.16Å; D501-R519 IonicContact OD2-NH2 2.65Å; D501-R519 PolarHBondContact OD2-NH2 3.3Å; D501-N520 PolarHBondContact OD1-ND2 3.49Å; D501-N520 PolarHBondContact OD1-OD1 3.03Å; D501-N520 PolarHBondContact OD2-ND2 3.4Å
502Q89.6Confident89.8Confident115 Ų11545.3 Ų45.354%0.53722%0.221SC..  trans60.79.5-174.3-54.5-61.7-55.200114.8G499 N500G499-Q502 WeakPolarHBondContact O-CA 3.46Å; G499-Q502 PolarHBondContact O-N 3.46Å; N500-Q502 PolarHBondContact O-N 3.48Å
503V91.9Very high89.4Confident39 Ų3953.2 Ų53.224%0.23626%0.257CS..PPolyproline II helixtrans-69.2130175.6175.60000109.1K498 G499 D501 M505 A516 V517K498-V503 CarbonylContact C-O 3.49Å; K498-V503 WeakPolarHBondContact CA-O 3.38Å; G499-V503 PolarHBondContact N-O 3.16Å; D501-V503 HydrophobicContact CB-CG2 4.27Å; D501-V503 VanDerWaalsContact CG-CG2 3.44Å; D501-V503 PolarHBondContact O-N 2.88Å; D501-V503 VanDerWaalsContact O-N 3.11Å; D501-V503 WeakPolarHBondContact OD1-CB 3.31Å; D501-V503 WeakPolarHBondContact OD1-CG2 3.22Å; D501-V503 PolarHBondContact OD1-N 2.9Å; D501-V503 VanDerWaalsContact OD1-N 3.16Å; V503-M505 PolarHBondContact O-N 3.02Å; V503-A516 HydrophobicContact CG1-CB 4.44Å; V503-V517 HydrophobicContact CG1-CG2 4.14Å
504P92.2Very high89.2Confident62 Ų6256.5 Ų56.540%0.40328%0.275SS..BIsolated β-bridgetrans-66.4120179.227.2-34.3000110.7S497 T506 K683S497-P504 WeakPolarHBondContact O-CA 3.49Å; P504-T506 PolarHBondContact O-N 2.91Å; P504-K683 HydrophobicContact CB-CD 3.83Å
505M91.9Very high89Confident0 Ų060.4 Ų60.40%030%0.298CS..PPolyproline II helixtrans-77.6116.3178.3-64.2177.769.500109.2V496 S497 V503 N520 Y521 L524 D682 K683 I711V496-M505 HydrophobicContact CG1-SD 3.93Å; S497-M505 PolarHBondContact O-N 3.37Å; V503-M505 PolarHBondContact O-N 3.02Å; M505-N520 HydrophobicContact CE-CB 4.14Å; M505-N520 HydrophobicContact CG-CB 4.16Å; M505-N520 HydrophobicContact SD-CB 4.18Å; M505-Y521 HydrophobicContact CB-CE1 4.23Å; M505-Y521 HydrophobicContact CE-CD1 3.13Å; M505-Y521 HydrophobicContact CE-CE1 3.4Å; M505-Y521 HydrophobicContact CE-CG 3.99Å; M505-L524 HydrophobicContact CE-CB 4.5Å; M505-L524 HydrophobicContact CE-CD2 4.12Å; M505-D682 CarbonylContact O-C 3.33Å; M505-D682 WeakPolarHBondContact O-CA 3.33Å; M505-K683 PolarHBondContact O-N 3.26Å; M505-I711 HydrophobicContact SD-CD1 4.07Å; M505-I711 HydrophobicContact SD-CG1 4Å
506T92Very high88.8Confident17 Ų1761.5 Ų61.510%0.10431%0.308CS..  trans-157.2143.5176.9-165.40000112.8P504 K508 S511 Y521 D682 R684P504-T506 PolarHBondContact O-N 2.91Å; T506-K508 VanDerWaalsContact C-N 3.35Å; T506-K508 HydrophobicContact CG2-CB 4.3Å; T506-K508 HydrophobicContact CG2-CD 4.39Å; T506-K508 HydrophobicContact CG2-CG 4.22Å; T506-S511 WeakPolarHBondContact CG2-OG 3.47Å; T506-S511 PolarHBondContact O-OG 2.7Å; T506-Y521 PolarHBondContact N-OH 3.29Å; T506-D682 WeakPolarHBondContact CA-OD2 3.41Å; T506-D682 WeakPolarHBondContact CB-OD1 3.34Å; T506-D682 PolarHBondContact OG1-OD1 3.07Å; T506-D682 PolarHBondContact OG1-OD2 3.46Å; T506-R684 PolarHBondContact OG1-NE 3.25Å
507T87.9Confident88.6Confident0 Ų061.6 Ų61.60%031%0.308CS..  trans-97.832.7175.168.80000113.1R512 Y521 Y545 G623 D682 R684T507-R512 PolarHBondContact O-NE 2.79Å; T507-Y521 HydrophobicContact CG2-CE2 3.87Å; T507-Y521 VanDerWaalsContact CG2-OH 3.31Å; T507-Y521 WeakPolarHBondContact CG2-OH 3.15Å; T507-Y545 HydrophobicContact CG2-CE1 3.8Å; T507-G623 VanDerWaalsContact CG2-CA 3.48Å; T507-G623 WeakPolarHBondContact OG1-CA 3.36Å; T507-D682 PolarHBondContact N-OD2 3.03Å; T507-R684 PolarHBondContact OG1-NH2 3.1Å
508K86Confident88.7Confident109 Ų10961.9 Ų61.947%0.47431%0.309SS..  trans-58.7145.3168.2-76.3-176.3176.4-173.60109.3T506 E510 S511 R512T506-K508 VanDerWaalsContact C-N 3.35Å; T506-K508 HydrophobicContact CG2-CB 4.3Å; T506-K508 HydrophobicContact CG2-CD 4.39Å; T506-K508 HydrophobicContact CG2-CG 4.22Å; K508-E510 VanDerWaalsContact C-N 3.26Å; K508-E510 PolarHBondContact O-N 2.75Å; K508-S511 PolarHBondContact N-OG 2.85Å; K508-S511 CarbonylContact O-C 3.51Å; K508-S511 PolarHBondContact O-N 3.06Å; K508-S511 PolarHBondContact O-OG 3.27Å; K508-S511 VanDerWaalsContact O-OG 3.06Å; K508-R512 WeakPolarHBondContact O-CG 3.32Å; K508-R512 PolarHBondContact O-N 2.95Å; K508-R512 VanDerWaalsContact O-N 3.09Å
509F81.1Confident88.7Confident152 Ų15263.9 Ų63.967%0.66732%0.315SS*.G310 helixtrans-52.4-44.7-173.7-175.5-100.3000112.8S511 R512F509-S511 VanDerWaalsContact C-N 3.31Å; F509-S511 PolarHBondContact O-N 3.18Å; F509-R512 PolarHBondContact O-N 3.43Å
510E80.8Confident88.8Confident179 Ų17964 Ų6484%0.83632%0.315SS*.G310 helixtrans-60.6-33.5177.1-64.2161-170.900113.8K508K508-E510 VanDerWaalsContact C-N 3.26Å; K508-E510 PolarHBondContact O-N 2.75Å
511S81Confident89.1Confident23 Ų2361.7 Ų61.716%0.16130%0.303CS..G310 helixtrans-98.60.3-176.166.90000113.5T506 K508 F509 Q513 D514T506-S511 WeakPolarHBondContact CG2-OG 3.47Å; T506-S511 PolarHBondContact O-OG 2.7Å; K508-S511 PolarHBondContact N-OG 2.85Å; K508-S511 CarbonylContact O-C 3.51Å; K508-S511 PolarHBondContact O-N 3.06Å; K508-S511 PolarHBondContact O-OG 3.27Å; K508-S511 VanDerWaalsContact O-OG 3.06Å; F509-S511 VanDerWaalsContact C-N 3.31Å; F509-S511 PolarHBondContact O-N 3.18Å; S511-Q513 VanDerWaalsContact C-N 3.29Å; S511-Q513 PolarHBondContact O-N 3.28Å; S511-D514 WeakPolarHBondContact O-CB 3.16Å; S511-D514 PolarHBondContact O-N 3.13Å
512R81.7Confident89.3Confident69 Ų6958.8 Ų58.826%0.2629%0.288SS..THydrogen-bonded Turntrans-67.5-30-178.4-81.5174-169.2-171.9-3.3113.1T507 K508 F509 D514 Y545T507-R512 PolarHBondContact O-NE 2.79Å; K508-R512 WeakPolarHBondContact O-CG 3.32Å; K508-R512 PolarHBondContact O-N 2.95Å; K508-R512 VanDerWaalsContact O-N 3.09Å; F509-R512 PolarHBondContact O-N 3.43Å; R512-D514 VanDerWaalsContact C-N 3.32Å; R512-Y545 HydrophobicContact CB-CD2 4.47Å; R512-Y545 HydrophobicContact CB-CE2 4.05Å; R512-Y545 HydrophobicContact CG-CD2 4.26Å; R512-Y545 HydrophobicContact CG-CE2 3.93Å
513Q83.7Confident89.5Confident179 Ų17956.2 Ų56.284%0.83628%0.275SS*.THydrogen-bonded Turntrans-88.2-3.9177.3-66180-14.700112.3S511 V515S511-Q513 VanDerWaalsContact C-N 3.29Å; S511-Q513 PolarHBondContact O-N 3.28Å; Q513-V515 PolarHBondContact O-N 3Å; Q513-V515 VanDerWaalsContact O-N 3.13Å
514D89.7Confident89.7Confident70 Ų7054.3 Ų54.337%0.37426%0.264SS..  trans-70.3112178-173.4-5.9000110S511 R512 A516 V517 I518S511-D514 WeakPolarHBondContact O-CB 3.16Å; S511-D514 PolarHBondContact O-N 3.13Å; R512-D514 VanDerWaalsContact C-N 3.32Å; D514-A516 PolarHBondContact O-N 3.1Å; D514-A516 WeakPolarHBondContact OD1-CB 3.22Å; D514-A516 PolarHBondContact OD1-N 3.01Å; D514-V517 HydrophobicContact CB-CB 4.39Å; D514-V517 HydrophobicContact CB-CG2 4.1Å; D514-V517 PolarHBondContact O-N 3.47Å; D514-V517 VanDerWaalsContact O-N 3.15Å; D514-I518 PolarHBondContact O-N 3.43Å; D514-I518 VanDerWaalsContact O-N 3.16Å
515V90.6Very high89.9Confident83 Ų8351.4 Ų51.450%0.50325%0.245SC..Hα-helixtrans-59.1-32.6-179.7-1750000111.1Q513 I518 R519Q513-V515 PolarHBondContact O-N 3Å; Q513-V515 VanDerWaalsContact O-N 3.13Å; V515-I518 PolarHBondContact O-N 3.47Å; V515-R519 VanDerWaalsContact O-CB 3.24Å; V515-R519 WeakPolarHBondContact O-CB 3.24Å; V515-R519 PolarHBondContact O-N 3.41Å
516A91.6Very high90Very high23 Ų2351.8 Ų51.819%0.1925%0.248CC..Hα-helixtrans-65.6-41178.800000111.8V503 D514 N520V503-A516 HydrophobicContact CG1-CB 4.44Å; D514-A516 PolarHBondContact O-N 3.1Å; D514-A516 WeakPolarHBondContact OD1-CB 3.22Å; D514-A516 PolarHBondContact OD1-N 3.01Å; A516-N520 WeakPolarHBondContact O-CB 3.49Å; A516-N520 PolarHBondContact O-N 3.14Å; A516-N520 PolarHBondContact O-ND2 3.34Å
517V92.7Very high90.2Very high2 Ų254 Ų541%0.01226%0.257CS..Hα-helixtrans-68.3-44.6177.8177.10000110.8V503 D514 R519 N520 Y521V503-V517 HydrophobicContact CG1-CG2 4.14Å; D514-V517 HydrophobicContact CB-CB 4.39Å; D514-V517 HydrophobicContact CB-CG2 4.1Å; D514-V517 PolarHBondContact O-N 3.47Å; D514-V517 VanDerWaalsContact O-N 3.15Å; V517-R519 VanDerWaalsContact C-N 3.34Å; V517-R519 PolarHBondContact O-N 3.02Å; V517-N520 PolarHBondContact O-N 3.38Å; V517-Y521 HydrophobicContact CG1-CD2 4.05Å; V517-Y521 HydrophobicContact CG1-CE2 3.49Å; V517-Y521 VanDerWaalsContact CG1-CE2 3.49Å; V517-Y521 WeakPolarHBondContact O-CD2 3.37Å; V517-Y521 PolarHBondContact O-N 2.73Å
518I93Very high90.5Very high12 Ų1254 Ų546%0.06226%0.257CS..Hα-helixtrans-59-46.6176.3-67.1173.8000110.6D514 V515 N520 Y521 G522 T549 W553D514-I518 PolarHBondContact O-N 3.43Å; D514-I518 VanDerWaalsContact O-N 3.16Å; V515-I518 PolarHBondContact O-N 3.47Å; I518-N520 VanDerWaalsContact C-N 3.33Å; I518-N520 PolarHBondContact O-N 2.73Å; I518-Y521 PolarHBondContact O-N 2.85Å; I518-G522 PolarHBondContact O-N 2.76Å; I518-T549 HydrophobicContact CG2-CG2 4.14Å; I518-W553 PolarHBondContact O-NE1 2.95Å
519R93.5Very high90.9Very high99 Ų9949 Ų4937%0.37424%0.236SC..Hα-helixtrans-58.7-44.4175.8-177.1-176.267.8-177.40.3111.5D501 V515 V517 Y521 G522 H523 I558D501-R519 IonicContact OD2-NH2 2.65Å; D501-R519 PolarHBondContact OD2-NH2 3.3Å; V515-R519 VanDerWaalsContact O-CB 3.24Å; V515-R519 WeakPolarHBondContact O-CB 3.24Å; V515-R519 PolarHBondContact O-N 3.41Å; V517-R519 VanDerWaalsContact C-N 3.34Å; V517-R519 PolarHBondContact O-N 3.02Å; R519-Y521 PolarHBondContact O-N 3.31Å; R519-G522 WeakPolarHBondContact O-CA 3.36Å; R519-G522 PolarHBondContact O-N 2.87Å; R519-G522 VanDerWaalsContact O-N 3.12Å; R519-H523 PolarHBondContact O-N 3.39Å; R519-I558 HydrophobicContact CG-CD1 4.3Å
520N94.3Very high91.6Very high2 Ų245 Ų451%0.01123%0.231CC..Hα-helixtrans-63.5-37.5178.1-81.1-36.2000113D501 M505 A516 V517 I518 G522 H523 L524 I711D501-N520 PolarHBondContact OD1-ND2 3.49Å; D501-N520 PolarHBondContact OD1-OD1 3.03Å; D501-N520 PolarHBondContact OD2-ND2 3.4Å; M505-N520 HydrophobicContact CE-CB 4.14Å; M505-N520 HydrophobicContact CG-CB 4.16Å; M505-N520 HydrophobicContact SD-CB 4.18Å; A516-N520 WeakPolarHBondContact O-CB 3.49Å; A516-N520 PolarHBondContact O-N 3.14Å; A516-N520 PolarHBondContact O-ND2 3.34Å; V517-N520 PolarHBondContact O-N 3.38Å; I518-N520 VanDerWaalsContact C-N 3.33Å; I518-N520 PolarHBondContact O-N 2.73Å; N520-G522 VanDerWaalsContact C-N 3.33Å; N520-H523 PolarHBondContact O-N 2.92Å; N520-L524 WeakPolarHBondContact O-CB 3.46Å; N520-L524 PolarHBondContact O-N 2.89Å; N520-I711 HydrophobicContact CB-CD1 4.2Å; N520-I711 VanDerWaalsContact O-CD1 3.29Å; N520-I711 WeakPolarHBondContact O-CD1 3.47Å
521Y95.1Very high92.2Very high0 Ų037.8 Ų37.80%020%0.199CC..Hα-helixtrans-63.9-40171.1-69.7-50000112.1M505 T506 T507 V517 I518 R519 L524 L525 Y545 F622 A681M505-Y521 HydrophobicContact CB-CE1 4.23Å; M505-Y521 HydrophobicContact CE-CD1 3.13Å; M505-Y521 HydrophobicContact CE-CE1 3.4Å; M505-Y521 HydrophobicContact CE-CG 3.99Å; T506-Y521 PolarHBondContact N-OH 3.29Å; T507-Y521 HydrophobicContact CG2-CE2 3.87Å; T507-Y521 VanDerWaalsContact CG2-OH 3.31Å; T507-Y521 WeakPolarHBondContact CG2-OH 3.15Å; V517-Y521 HydrophobicContact CG1-CD2 4.05Å; V517-Y521 HydrophobicContact CG1-CE2 3.49Å; V517-Y521 VanDerWaalsContact CG1-CE2 3.49Å; V517-Y521 WeakPolarHBondContact O-CD2 3.37Å; V517-Y521 PolarHBondContact O-N 2.73Å; I518-Y521 PolarHBondContact O-N 2.85Å; R519-Y521 PolarHBondContact O-N 3.31Å; Y521-L524 PolarHBondContact O-N 2.98Å; Y521-L525 PolarHBondContact O-N 3.34Å; Y521-Y545 WeakPolarHBondContact CE2-OH 3.42Å; Y521-F622 AromaticContact CD1-CD1 3.3Å; Y521-F622 HydrophobicContact CD1-CD1 3.3Å; Y521-F622 AromaticContact CD1-CE1 3.65Å; Y521-F622 HydrophobicContact CD1-CE1 3.65Å; Y521-F622 HydrophobicContact CD1-CG 4.38Å; Y521-F622 AromaticContact CE1-CD1 3.87Å; Y521-F622 HydrophobicContact CE1-CD1 3.87Å; Y521-F622 AromaticContact CG-CD1 3.84Å; Y521-F622 HydrophobicContact CG-CD1 3.84Å; Y521-F622 HydrophobicContact CG-CE1 4.07Å; Y521-A681 HydrophobicContact CD1-CB 4.33Å; Y521-A681 HydrophobicContact CE1-CB 3.98Å; Y521-A681 WeakPolarHBondContact CE1-O 3.45Å; Y521-A681 PolarHBondContact OH-O 2.97Å
522G94.6Very high92.9Very high0 Ų036.9 Ų36.90%019%0.193CC..Hα-helixtrans-63.3-45.117600000112.3I518 R519 N520 L525 A526 W553I518-G522 PolarHBondContact O-N 2.76Å; R519-G522 WeakPolarHBondContact O-CA 3.36Å; R519-G522 PolarHBondContact O-N 2.87Å; R519-G522 VanDerWaalsContact O-N 3.12Å; N520-G522 VanDerWaalsContact C-N 3.33Å; G522-L525 PolarHBondContact O-N 3.14Å; G522-A526 WeakPolarHBondContact O-CB 3.39Å; G522-A526 PolarHBondContact O-N 2.96Å; G522-W553 VanDerWaalsContact CA-CE2 3.42Å
523H94.6Very high93.4Very high60 Ų6036 Ų3628%0.27820%0.196SC..Hα-helixtrans-62.8-41.9174.8-72.4178.2000112.5R519 N520 L525 A526 Q527 I711R519-H523 PolarHBondContact O-N 3.39Å; N520-H523 PolarHBondContact O-N 2.92Å; H523-L525 VanDerWaalsContact C-N 3.34Å; H523-L525 PolarHBondContact O-N 3.4Å; H523-A526 PolarHBondContact O-N 3.23Å; H523-Q527 WeakPolarHBondContact O-CB 3.36Å; H523-Q527 WeakPolarHBondContact O-CG 3.38Å; H523-Q527 PolarHBondContact O-N 3.08Å; H523-I711 HydrophobicContact CB-CD1 4.41Å
524L95.7Very high93.7Very high0 Ų029.7 Ų29.70%017%0.168CC..Hα-helixtrans-57.1-48.9174.5176.262.6000110.7V496 M505 N520 Y521 L528 F622 I679 A681 I711V496-L524 HydrophobicContact CG1-CD2 4.36Å; M505-L524 HydrophobicContact CE-CB 4.5Å; M505-L524 HydrophobicContact CE-CD2 4.12Å; N520-L524 WeakPolarHBondContact O-CB 3.46Å; N520-L524 PolarHBondContact O-N 2.89Å; Y521-L524 PolarHBondContact O-N 2.98Å; L524-L528 HydrophobicContact CD1-CD1 3.68Å; L524-L528 HydrophobicContact CD1-CG 4.19Å; L524-L528 HydrophobicContact CG-CD1 3.85Å; L524-L528 WeakPolarHBondContact O-CB 3.15Å; L524-L528 WeakPolarHBondContact O-CD1 2.8Å; L524-L528 VanDerWaalsContact O-CG 3.24Å; L524-L528 WeakPolarHBondContact O-CG 3.44Å; L524-L528 PolarHBondContact O-N 2.96Å; L524-F622 HydrophobicContact CD2-CE1 4.21Å; L524-I679 HydrophobicContact CD2-CG2 4.4Å; L524-A681 HydrophobicContact CD2-CB 3.76Å; L524-I711 HydrophobicContact CB-CD1 4.15Å; L524-I711 HydrophobicContact CB-CG1 4.2Å; L524-I711 HydrophobicContact CB-CG2 4.21Å; L524-I711 HydrophobicContact CD1-CB 4.45Å; L524-I711 HydrophobicContact CD1-CG1 4.31Å; L524-I711 HydrophobicContact CD1-CG2 3.87Å
525L95.9Very high93.8Very high0 Ų026.3 Ų26.30%015%0.15CC..Hα-helixtrans-65.7-42.1179.3-172.358.6000112.7Y521 G522 H523 L528 S529 I536 A538 W553 I562 V596 L598 I620 F622Y521-L525 PolarHBondContact O-N 3.34Å; G522-L525 PolarHBondContact O-N 3.14Å; H523-L525 VanDerWaalsContact C-N 3.34Å; H523-L525 PolarHBondContact O-N 3.4Å; L525-L528 PolarHBondContact O-N 3.17Å; L525-S529 WeakPolarHBondContact O-CB 3.25Å; L525-S529 PolarHBondContact O-N 3.06Å; L525-S529 PolarHBondContact O-OG 3.02Å; L525-I536 HydrophobicContact CD1-CG2 4.21Å; L525-A538 HydrophobicContact CD1-CB 4.49Å; L525-W553 HydrophobicContact CD2-CH2 3.85Å; L525-W553 HydrophobicContact CD2-CZ3 3.66Å; L525-I562 HydrophobicContact CB-CD1 4.32Å; L525-I562 HydrophobicContact CD2-CD1 3.78Å; L525-I562 HydrophobicContact CG-CD1 4Å; L525-V596 HydrophobicContact CD1-CG1 3.97Å; L525-V596 HydrophobicContact CD2-CG1 4.25Å; L525-L598 HydrophobicContact CD2-CD2 3.87Å; L525-I620 HydrophobicContact CD1-CD1 3.69Å; L525-F622 HydrophobicContact CB-CZ 4.25Å
526A95.1Very high94.1Very high9 Ų922.4 Ų22.47%0.07413%0.126CC..Hα-helixtrans-65.1-39.9178.900000112.5G522 H523 S529 A530 I558 I562 N565G522-A526 WeakPolarHBondContact O-CB 3.39Å; G522-A526 PolarHBondContact O-N 2.96Å; H523-A526 PolarHBondContact O-N 3.23Å; A526-S529 PolarHBondContact O-OG 3.48Å; A526-A530 PolarHBondContact O-N 2.78Å; A526-I558 HydrophobicContact CB-CG2 4.47Å; A526-I562 HydrophobicContact CB-CG1 3.98Å; A526-N565 PolarHBondContact O-ND2 3.27Å
527Q95.1Very high94.2Very high63 Ų6321.3 Ų21.329%0.29412%0.117SC..Hα-helixtrans-74.2-35.8177.2-68.5-172.6-0.600112.4H523 A530 I715H523-Q527 WeakPolarHBondContact O-CB 3.36Å; H523-Q527 WeakPolarHBondContact O-CG 3.38Å; H523-Q527 PolarHBondContact O-N 3.08Å; Q527-A530 PolarHBondContact O-N 3.29Å; Q527-I715 HydrophobicContact CB-CD1 3.74Å; Q527-I715 HydrophobicContact CB-CG1 3.85Å
528L95.1Very high94.4Very high0 Ų021.2 Ų21.20%012%0.116CC..Hα-helixtrans-67.6-38.9173.8-74.5167.8000111.9L524 L525 A530 V531 V532 I536 I620 I679 I715L524-L528 HydrophobicContact CD1-CD1 3.68Å; L524-L528 HydrophobicContact CD1-CG 4.19Å; L524-L528 HydrophobicContact CG-CD1 3.85Å; L524-L528 WeakPolarHBondContact O-CB 3.15Å; L524-L528 WeakPolarHBondContact O-CD1 2.8Å; L524-L528 VanDerWaalsContact O-CG 3.24Å; L524-L528 WeakPolarHBondContact O-CG 3.44Å; L524-L528 PolarHBondContact O-N 2.96Å; L525-L528 PolarHBondContact O-N 3.17Å; L528-A530 PolarHBondContact O-N 3.23Å; L528-V531 PolarHBondContact O-N 2.81Å; L528-V532 HydrophobicContact CB-CG2 4.47Å; L528-V532 HydrophobicContact CD2-CG2 4.22Å; L528-V532 WeakPolarHBondContact O-CG2 3.36Å; L528-V532 PolarHBondContact O-N 3.01Å; L528-I536 HydrophobicContact CB-CD1 4.32Å; L528-I620 HydrophobicContact CD1-CD1 3.45Å; L528-I620 VanDerWaalsContact CD1-CD1 3.45Å; L528-I620 HydrophobicContact CD1-CG1 4.02Å; L528-I679 HydrophobicContact CD1-CD1 3.44Å; L528-I679 VanDerWaalsContact CD1-CD1 3.44Å; L528-I679 HydrophobicContact CD2-CD1 3.66Å; L528-I679 HydrophobicContact CG-CD1 4.2Å; L528-I715 HydrophobicContact CB-CD1 4.36Å; L528-I715 HydrophobicContact CD2-CD1 3.46Å; L528-I715 VanDerWaalsContact CD2-CD1 3.46Å; L528-I715 HydrophobicContact CG-CD1 3.55Å
529S94.9Very high94.5Very high4 Ų420.6 Ų20.63%0.02811%0.113CC..Hα-helixtrans-62.4-27.4178.171.80000113L525 A526 N565 K566L525-S529 WeakPolarHBondContact O-CB 3.25Å; L525-S529 PolarHBondContact O-N 3.06Å; L525-S529 PolarHBondContact O-OG 3.02Å; A526-S529 PolarHBondContact O-OG 3.48Å; S529-N565 PolarHBondContact OG-ND2 3.27Å; S529-K566 VanDerWaalsContact O-CE 3.26Å; S529-K566 WeakPolarHBondContact O-CE 3.45Å
530A94.4Very high94.6Very high67 Ų6716 Ų1655%0.55410%0.096SC*.THydrogen-bonded Turntrans-76.4-19.3173.500000114.1A526 Q527 L528A526-A530 PolarHBondContact O-N 2.78Å; Q527-A530 PolarHBondContact O-N 3.29Å; L528-A530 PolarHBondContact O-N 3.23Å
531V94.7Very high94.4Very high29 Ų2916.5 Ų16.518%0.17610%0.099CC..THydrogen-bonded Turntrans-110.5-41.8-171.2167.20000113.2L528 I715 R719 L722L528-V531 PolarHBondContact O-N 2.81Å; V531-I715 HydrophobicContact CG2-CG2 3.73Å; V531-R719 HydrophobicContact CB-CG 4.34Å; V531-R719 HydrophobicContact CG1-CB 4.4Å; V531-R719 HydrophobicContact CG1-CG 3.42Å; V531-R719 VanDerWaalsContact CG1-CG 3.42Å; V531-R719 HydrophobicContact CG2-CG 3.93Å; V531-R719 VanDerWaalsContact CG2-NE 3.31Å; V531-L722 HydrophobicContact CG1-CD1 4.07Å
532V94.5Very high94.2Very high3 Ų318.4 Ų18.42%0.01811%0.113CC..SBendtrans-79.6126.8-174.8179.80000109.1L528 I536 K566 R617 C618 I677 L722L528-V532 HydrophobicContact CB-CG2 4.47Å; L528-V532 HydrophobicContact CD2-CG2 4.22Å; L528-V532 WeakPolarHBondContact O-CG2 3.36Å; L528-V532 PolarHBondContact O-N 3.01Å; V532-I536 HydrophobicContact CB-CD1 4.01Å; V532-I536 HydrophobicContact CB-CG1 4.09Å; V532-I536 HydrophobicContact CG1-CD1 4.47Å; V532-I536 HydrophobicContact CG1-CG1 4Å; V532-I536 HydrophobicContact CG2-CD1 4.43Å; V532-K566 WeakPolarHBondContact O-CE 3.4Å; V532-K566 PolarHBondContact O-NZ 3.22Å; V532-R617 HydrophobicContact CG1-CB 3.74Å; V532-C618 HydrophobicContact CB-CB 4.29Å; V532-C618 HydrophobicContact CG1-CB 3.65Å; V532-C618 HydrophobicContact CG2-CB 3.82Å; V532-I677 HydrophobicContact CG2-CD1 4.46Å; V532-L722 HydrophobicContact CG2-CD1 4.27Å
533P91.8Very high94Very high50 Ų5020.4 Ų20.433%0.32512%0.121SC..  trans-69.5157.117429.9-34.7000111.3G535 R617 L722P533-G535 PolarHBondContact O-N 3.13Å; P533-R617 HydrophobicContact CG-CG 4.48Å; P533-L722 HydrophobicContact CG-CD2 4.45Å
534D90.2Very high93.7Very high47 Ų4724.2 Ų24.225%0.25114%0.138SC..SBendtrans59.5-121.1168.8-43.3-36.5000113.9K566 G594 A595 H614 R617D534-K566 PolarHBondContact O-NZ 3.05Å; D534-G594 WeakPolarHBondContact O-CA 3.48Å; D534-A595 PolarHBondContact O-N 3.1Å; D534-A595 VanDerWaalsContact O-N 3.1Å; D534-H614 HydrophobicContact CB-CB 4.03Å; D534-H614 WeakPolarHBondContact CB-O 3.21Å; D534-H614 WeakPolarHBondContact OD2-CB 3.3Å; D534-R617 HydrophobicContact CB-CG 4.46Å
535G93.5Very high93.5Very high0 Ų024.6 Ų24.60%014%0.14CC..EExtended strand (participates in β ladder)trans-93.6131.1-171.600000115.2P533 Y585 A595 H614 R617 C618P533-G535 PolarHBondContact O-N 3.13Å; G535-Y585 WeakPolarHBondContact CA-OH 3.32Å; G535-A595 CarbonylContact C-O 3.43Å; G535-A595 WeakPolarHBondContact CA-O 3.01Å; G535-H614 PolarHBondContact N-O 3.43Å; G535-H614 VanDerWaalsContact N-O 3.11Å; G535-R617 PolarHBondContact O-N 3.15Å; G535-C618 PolarHBondContact O-N 3.47Å
536I95.4Very high93.3Very high0 Ų024.9 Ų24.90%014%0.141CC..EExtended strand (participates in β ladder)trans-111.8136.3164-56.8179.5000108.3L525 L528 V532 K566 Y585 A595 V596 L597 C618 I620L525-I536 HydrophobicContact CD1-CG2 4.21Å; L528-I536 HydrophobicContact CB-CD1 4.32Å; V532-I536 HydrophobicContact CB-CD1 4.01Å; V532-I536 HydrophobicContact CB-CG1 4.09Å; V532-I536 HydrophobicContact CG1-CD1 4.47Å; V532-I536 HydrophobicContact CG1-CG1 4Å; V532-I536 HydrophobicContact CG2-CD1 4.43Å; I536-K566 HydrophobicContact CD1-CD 4.25Å; I536-K566 HydrophobicContact CG1-CD 4.41Å; I536-Y585 PolarHBondContact O-OH 3.38Å; I536-A595 PolarHBondContact N-O 2.96Å; I536-V596 HydrophobicContact CB-CG2 4.21Å; I536-V596 HydrophobicContact CD1-CG2 4.41Å; I536-V596 CarbonylContact O-C 3.54Å; I536-V596 WeakPolarHBondContact O-CA 3.44Å; I536-L597 PolarHBondContact O-N 3.25Å; I536-C618 WeakPolarHBondContact CA-O 3.38Å; I536-C618 HydrophobicContact CG1-CB 4.32Å; I536-C618 HydrophobicContact CG2-CB 4.45Å; I536-I620 HydrophobicContact CG2-CD1 3.66Å; I536-I620 HydrophobicContact CG2-CG1 4.2Å
537V94.9Very high93.2Very high0 Ų029.7 Ų29.70%016%0.162CC..EExtended strand (participates in β ladder)trans-117.7119.6172.4-174.40000108.5F539 Y585 F611 C618 V619 I620V537-F539 HydrophobicContact CB-CE2 4.34Å; V537-F539 HydrophobicContact CG1-CD2 4.09Å; V537-F539 HydrophobicContact CG1-CE1 4.27Å; V537-F539 HydrophobicContact CG1-CE2 3.5Å; V537-F539 HydrophobicContact CG1-CZ 3.61Å; V537-Y585 WeakPolarHBondContact CG2-OH 3.12Å; V537-F611 HydrophobicContact CB-CE2 4.46Å; V537-F611 HydrophobicContact CB-CZ 4.47Å; V537-F611 HydrophobicContact CG1-CE2 3.86Å; V537-F611 HydrophobicContact CG1-CZ 3.81Å; V537-F611 HydrophobicContact CG2-CD1 3.82Å; V537-F611 HydrophobicContact CG2-CD2 4.09Å; V537-F611 HydrophobicContact CG2-CE1 3.73Å; V537-F611 HydrophobicContact CG2-CE2 4.01Å; V537-F611 HydrophobicContact CG2-CG 4Å; V537-F611 HydrophobicContact CG2-CZ 3.83Å; V537-C618 PolarHBondContact N-O 3.14Å; V537-V619 HydrophobicContact CB-CG2 4.39Å; V537-V619 CarbonylContact O-C 3.59Å; V537-V619 VanDerWaalsContact O-CA 3.31Å; V537-V619 WeakPolarHBondContact O-CA 3.28Å; V537-I620 PolarHBondContact O-N 2.75Å
538A95.5Very high93.1Very high0 Ų029 Ų290%016%0.164CC..EExtended strand (participates in β ladder)trans-117111.9-177.400000110.5L525 L597 L598 S599 I620 F622L525-A538 HydrophobicContact CD1-CB 4.49Å; A538-L597 PolarHBondContact N-O 3.32Å; A538-L598 HydrophobicContact CB-CD2 3.9Å; A538-L598 WeakPolarHBondContact O-CA 3.31Å; A538-S599 PolarHBondContact O-N 3.47Å; A538-S599 PolarHBondContact O-OG 3.48Å; A538-I620 CarbonylContact C-O 3.6Å; A538-I620 WeakPolarHBondContact CA-O 3.43Å; A538-I620 HydrophobicContact CB-CB 4.25Å; A538-F622 HydrophobicContact CB-CD2 4.14Å; A538-F622 HydrophobicContact CB-CE2 3.62Å
539F95.7Very high93Very high0 Ų029 Ų290%016%0.164CC..EExtended strand (participates in β ladder)trans-90.4138.6-178.9-67.7-81.5000111.1V537 S599 V601 F611 V619 I620 M621 F622 C664V537-F539 HydrophobicContact CB-CE2 4.34Å; V537-F539 HydrophobicContact CG1-CD2 4.09Å; V537-F539 HydrophobicContact CG1-CE1 4.27Å; V537-F539 HydrophobicContact CG1-CE2 3.5Å; V537-F539 HydrophobicContact CG1-CZ 3.61Å; F539-S599 CarbonylContact C-O 3.59Å; F539-S599 WeakPolarHBondContact CA-O 3.12Å; F539-S599 WeakPolarHBondContact CD1-OG 3.47Å; F539-S599 WeakPolarHBondContact CE1-OG 3.3Å; F539-V601 HydrophobicContact CB-CG2 3.66Å; F539-V601 HydrophobicContact CG-CG2 4.38Å; F539-F611 HydrophobicContact CZ-CE2 4.09Å; F539-V619 HydrophobicContact CD2-CG1 3.7Å; F539-V619 HydrophobicContact CE2-CG1 3.58Å; F539-I620 PolarHBondContact N-O 3.34Å; F539-M621 HydrophobicContact CB-CE 3.58Å; F539-M621 HydrophobicContact CB-SD 4.01Å; F539-M621 WeakPolarHBondContact O-CE 3.44Å; F539-F622 WeakPolarHBondContact O-CB 3.46Å; F539-F622 PolarHBondContact O-N 2.99Å; F539-C664 HydrophobicContact CD1-CB 4.28Å; F539-C664 HydrophobicContact CD2-CB 3.76Å; F539-C664 HydrophobicContact CE1-CB 4.24Å; F539-C664 HydrophobicContact CE2-CB 3.69Å; F539-C664 HydrophobicContact CG-CB 4.05Å; F539-C664 HydrophobicContact CZ-CB 3.94Å
540F94.6Very high92.9Very high1 Ų131.7 Ų31.70%0.00418%0.176CC..EExtended strand (participates in β ladder)trans-113.8153.5174.1-73-100.5000110.7S542 Y545 L546 T549 W553 L598 S599 V600 V601 F622F540-S542 VanDerWaalsContact C-N 3.34Å; F540-S542 PolarHBondContact O-N 2.84Å; F540-Y545 AromaticContact CD1-CD1 3.93Å; F540-Y545 HydrophobicContact CD1-CD1 3.93Å; F540-Y545 HydrophobicContact CD1-CE1 4.24Å; F540-L546 HydrophobicContact CB-CB 4.04Å; F540-L546 HydrophobicContact CB-CD1 4.35Å; F540-L546 HydrophobicContact CD1-CB 4.28Å; F540-L546 HydrophobicContact CD2-CB 4.4Å; F540-L546 HydrophobicContact CD2-CD1 3.74Å; F540-L546 HydrophobicContact CD2-CG 4.29Å; F540-L546 HydrophobicContact CE2-CD1 4.27Å; F540-L546 HydrophobicContact CG-CB 3.99Å; F540-L546 HydrophobicContact CG-CD1 4.15Å; F540-L546 HydrophobicContact CG-CG 4.38Å; F540-T549 HydrophobicContact CE1-CG2 3.86Å; F540-T549 HydrophobicContact CZ-CG2 4.42Å; F540-W553 HydrophobicContact CE1-CH2 4.35Å; F540-W553 AromaticContact CZ-CH2 3.68Å; F540-W553 HydrophobicContact CZ-CH2 3.68Å; F540-W553 HydrophobicContact CZ-CZ3 4.05Å; F540-L598 HydrophobicContact CE2-CB 4.16Å; F540-L598 HydrophobicContact CE2-CD2 4.1Å; F540-L598 HydrophobicContact CE2-CG 4.48Å; F540-S599 PolarHBondContact N-O 3Å; F540-V600 WeakPolarHBondContact O-CA 3.36Å; F540-V601 PolarHBondContact O-N 3.4Å; F540-F622 HydrophobicContact CD1-CB 4.37Å; F540-F622 HydrophobicContact CD1-CD2 4.25Å; F540-F622 HydrophobicContact CD2-CD2 4.05Å; F540-F622 HydrophobicContact CE1-CB 4.48Å; F540-F622 AromaticContact CE1-CD2 3.8Å; F540-F622 HydrophobicContact CE1-CD2 3.8Å; F540-F622 HydrophobicContact CE1-CE2 4.35Å; F540-F622 HydrophobicContact CE1-CG 4.36Å; F540-F622 AromaticContact CE2-CD2 3.58Å; F540-F622 HydrophobicContact CE2-CD2 3.58Å; F540-F622 AromaticContact CE2-CE2 3.85Å; F540-F622 HydrophobicContact CE2-CE2 3.85Å; F540-F622 HydrophobicContact CG-CD2 4.37Å; F540-F622 AromaticContact CZ-CD2 3.46Å; F540-F622 HydrophobicContact CZ-CD2 3.46Å; F540-F622 VanDerWaalsContact CZ-CD2 3.46Å; F540-F622 AromaticContact CZ-CE2 3.65Å; F540-F622 HydrophobicContact CZ-CE2 3.65Å; F540-F622 HydrophobicContact CZ-CG 4.41Å
541P92Very high92.9Very high13 Ų1330.9 Ų30.98%0.08417%0.169CC..SBendtrans-69.9-27.8-178.927.5-35.8000113.3Y545 F622P541-Y545 HydrophobicContact CG-CD1 3.67Å; P541-Y545 HydrophobicContact CG-CE1 4.38Å; P541-Y545 HydrophobicContact CG-CG 4.27Å; P541-F622 WeakPolarHBondContact CD-O 3.18Å
542S89.8Confident92.8Very high40 Ų4030.3 Ų30.328%0.2817%0.166SC..  trans-156.1155.6178.868.30000112.3F540 H544 Y545 L546F540-S542 VanDerWaalsContact C-N 3.34Å; F540-S542 PolarHBondContact O-N 2.84Å; S542-H544 VanDerWaalsContact C-N 3.35Å; S542-H544 PolarHBondContact O-N 3.2Å; S542-Y545 PolarHBondContact O-N 2.94Å; S542-Y545 WeakPolarHBondContact OG-CB 3.49Å; S542-Y545 PolarHBondContact OG-N 3.04Å; S542-L546 PolarHBondContact O-N 3.44Å
543Y90.4Very high92.8Very high43 Ų4330.2 Ų30.217%0.16917%0.165CC..Hα-helixtrans-58-44174.4-71.1-78.7000112.3Y545 L546 E547 E571 Q573 V600 G603Y543-Y545 VanDerWaalsContact C-N 3.31Å; Y543-Y545 PolarHBondContact O-N 3.48Å; Y543-L546 WeakPolarHBondContact O-CB 3.24Å; Y543-L546 PolarHBondContact O-N 2.98Å; Y543-L546 VanDerWaalsContact O-N 3.14Å; Y543-E547 WeakPolarHBondContact O-CG 3.34Å; Y543-E547 PolarHBondContact O-N 3.44Å; Y543-E571 HydrophobicContact CE1-CG 4.2Å; Y543-E571 PolarHBondContact OH-OE1 3.27Å; Y543-Q573 HydrophobicContact CD1-CG 4.08Å; Y543-Q573 HydrophobicContact CD2-CG 4.03Å; Y543-Q573 HydrophobicContact CE1-CG 4.13Å; Y543-Q573 HydrophobicContact CE2-CG 4.07Å; Y543-Q573 HydrophobicContact CG-CG 4.04Å; Y543-V600 HydrophobicContact CD1-CG2 3.61Å; Y543-V600 HydrophobicContact CD2-CG1 4.32Å; Y543-V600 HydrophobicContact CD2-CG2 4.17Å; Y543-V600 HydrophobicContact CE1-CB 4.25Å; Y543-V600 HydrophobicContact CE1-CG2 3.68Å; Y543-V600 HydrophobicContact CE2-CB 4.21Å; Y543-V600 HydrophobicContact CE2-CG1 4.23Å; Y543-V600 HydrophobicContact CE2-CG2 4.23Å; Y543-V600 HydrophobicContact CG-CG2 3.86Å; Y543-G603 WeakPolarHBondContact OH-CA 3.32Å
544H88.7Confident92.9Very high140 Ų14035.3 Ų35.365%0.64818%0.179SC*.Hα-helixtrans-60.7-40.6177.7-179.563.7000112.5S542 E547 S548S542-H544 VanDerWaalsContact C-N 3.35Å; S542-H544 PolarHBondContact O-N 3.2Å; H544-E547 PolarHBondContact O-N 3.34Å; H544-S548 WeakPolarHBondContact O-CB 3.49Å; H544-S548 PolarHBondContact O-N 3.21Å; H544-S548 PolarHBondContact O-OG 2.97Å
545Y91.3Very high93.1Very high7 Ų740.2 Ų40.23%0.02720%0.201CC..Hα-helixtrans-68.9-37.6177.2-171-114.8000111.4T507 R512 Y521 F540 P541 S542 Y543 S548 T549T507-Y545 HydrophobicContact CG2-CE1 3.8Å; R512-Y545 HydrophobicContact CB-CD2 4.47Å; R512-Y545 HydrophobicContact CB-CE2 4.05Å; R512-Y545 HydrophobicContact CG-CD2 4.26Å; R512-Y545 HydrophobicContact CG-CE2 3.93Å; Y521-Y545 WeakPolarHBondContact CE2-OH 3.42Å; F540-Y545 AromaticContact CD1-CD1 3.93Å; F540-Y545 HydrophobicContact CD1-CD1 3.93Å; F540-Y545 HydrophobicContact CD1-CE1 4.24Å; P541-Y545 HydrophobicContact CG-CD1 3.67Å; P541-Y545 HydrophobicContact CG-CE1 4.38Å; P541-Y545 HydrophobicContact CG-CG 4.27Å; S542-Y545 PolarHBondContact O-N 2.94Å; S542-Y545 WeakPolarHBondContact OG-CB 3.49Å; S542-Y545 PolarHBondContact OG-N 3.04Å; Y543-Y545 VanDerWaalsContact C-N 3.31Å; Y543-Y545 PolarHBondContact O-N 3.48Å; Y545-S548 WeakPolarHBondContact CA-OG 3.49Å; Y545-S548 PolarHBondContact O-OG 2.95Å; Y545-T549 WeakPolarHBondContact O-CB 3.36Å; Y545-T549 PolarHBondContact O-N 2.98Å; Y545-T549 PolarHBondContact O-OG1 2.87Å
546L92.7Very high93Very high7 Ų743.1 Ų43.14%0.03721%0.214CC..Hα-helixtrans-60.4-49.6172.9176.7147.3000111.5F540 S542 Y543 T549 F550 V570 L598 V600F540-L546 HydrophobicContact CB-CB 4.04Å; F540-L546 HydrophobicContact CB-CD1 4.35Å; F540-L546 HydrophobicContact CD1-CB 4.28Å; F540-L546 HydrophobicContact CD2-CB 4.4Å; F540-L546 HydrophobicContact CD2-CD1 3.74Å; F540-L546 HydrophobicContact CD2-CG 4.29Å; F540-L546 HydrophobicContact CE2-CD1 4.27Å; F540-L546 HydrophobicContact CG-CB 3.99Å; F540-L546 HydrophobicContact CG-CD1 4.15Å; F540-L546 HydrophobicContact CG-CG 4.38Å; S542-L546 PolarHBondContact O-N 3.44Å; Y543-L546 WeakPolarHBondContact O-CB 3.24Å; Y543-L546 PolarHBondContact O-N 2.98Å; Y543-L546 VanDerWaalsContact O-N 3.14Å; L546-T549 PolarHBondContact O-N 2.86Å; L546-F550 WeakPolarHBondContact O-CB 3.16Å; L546-F550 PolarHBondContact O-N 3.45Å; L546-V570 HydrophobicContact CD1-CG1 4.45Å; L546-V570 HydrophobicContact CD2-CG1 3.64Å; L546-L598 HydrophobicContact CD1-CB 3.97Å; L546-V600 HydrophobicContact CD1-CG2 4.27Å
547E92.7Very high92.8Very high109 Ų10948.4 Ų48.451%0.50924%0.239SC..Hα-helixtrans-61.3-48.9-179.5-72.7166.7-169.700111.7Y543 H544 T549 F550 A551Y543-E547 WeakPolarHBondContact O-CG 3.34Å; Y543-E547 PolarHBondContact O-N 3.44Å; H544-E547 PolarHBondContact O-N 3.34Å; E547-T549 PolarHBondContact O-N 3.01Å; E547-F550 PolarHBondContact O-N 3.32Å; E547-A551 WeakPolarHBondContact O-CB 3.45Å; E547-A551 PolarHBondContact O-N 3.2Å
548S91.9Very high92.7Very high48 Ų4848.6 Ų48.634%0.33624%0.24SC..Hα-helixtrans-63.1-41.6177.861.30000113.1H544 Y545 S552H544-S548 WeakPolarHBondContact O-CB 3.49Å; H544-S548 PolarHBondContact O-N 3.21Å; H544-S548 PolarHBondContact O-OG 2.97Å; Y545-S548 WeakPolarHBondContact CA-OG 3.49Å; Y545-S548 PolarHBondContact O-OG 2.95Å; S548-S552 PolarHBondContact O-N 3.42Å; S548-S552 VanDerWaalsContact O-N 3.13Å
549T93.4Very high92.6Very high0 Ų048.7 Ų48.70%024%0.24CC..Hα-helixtrans-66.9-43.4177.8-61.30000110.8I518 F540 Y545 L546 E547 S552 W553I518-T549 HydrophobicContact CG2-CG2 4.14Å; F540-T549 HydrophobicContact CE1-CG2 3.86Å; F540-T549 HydrophobicContact CZ-CG2 4.42Å; Y545-T549 WeakPolarHBondContact O-CB 3.36Å; Y545-T549 PolarHBondContact O-N 2.98Å; Y545-T549 PolarHBondContact O-OG1 2.87Å; L546-T549 PolarHBondContact O-N 2.86Å; E547-T549 PolarHBondContact O-N 3.01Å; T549-S552 PolarHBondContact O-N 3.01Å; T549-W553 HydrophobicContact CG2-CD2 3.87Å; T549-W553 HydrophobicContact CG2-CE3 4.35Å; T549-W553 HydrophobicContact CG2-CG 4.44Å; T549-W553 HydrophobicContact CG2-CH2 4.01Å; T549-W553 HydrophobicContact CG2-CZ2 3.44Å; T549-W553 VanDerWaalsContact CG2-CZ2 3.44Å; T549-W553 HydrophobicContact CG2-CZ3 4.42Å; T549-W553 VanDerWaalsContact O-CG 3.26Å; T549-W553 PolarHBondContact O-N 3.04Å
550F93.1Very high92.5Very high62 Ų6252.6 Ų52.627%0.27226%0.258SS..Hα-helixtrans-64.9-43179.2-175.1-105.2000112.1L546 E547 S552 W553 Y554 V559 L568 L598L546-F550 WeakPolarHBondContact O-CB 3.16Å; L546-F550 PolarHBondContact O-N 3.45Å; E547-F550 PolarHBondContact O-N 3.32Å; F550-S552 VanDerWaalsContact C-N 3.35Å; F550-S552 PolarHBondContact O-N 3.14Å; F550-W553 PolarHBondContact O-N 2.95Å; F550-Y554 PolarHBondContact O-N 2.53Å; F550-V559 HydrophobicContact CD2-CG2 4.27Å; F550-V559 HydrophobicContact CE2-CG1 4.18Å; F550-V559 HydrophobicContact CE2-CG2 3.8Å; F550-V559 HydrophobicContact CZ-CG1 4.38Å; F550-V559 HydrophobicContact CZ-CG2 4.39Å; F550-L568 HydrophobicContact CD2-CD2 4.33Å; F550-L568 HydrophobicContact CE2-CD2 3.45Å; F550-L568 VanDerWaalsContact CE2-CD2 3.45Å; F550-L568 HydrophobicContact CZ-CD2 4.21Å; F550-L598 HydrophobicContact CD2-CD1 4.09Å
551A93.7Very high92.5Very high49 Ų4956.9 Ų56.941%0.40528%0.279SS..Hα-helixtrans-58.9-45.9174.400000111.6E547 W553 Y554 E555E547-A551 WeakPolarHBondContact O-CB 3.45Å; E547-A551 PolarHBondContact O-N 3.2Å; A551-W553 PolarHBondContact O-N 3.36Å; A551-Y554 WeakPolarHBondContact O-CB 3.22Å; A551-Y554 PolarHBondContact O-N 2.85Å; A551-E555 PolarHBondContact O-N 3.13Å
552S93.4Very high92.6Very high17 Ų1756.3 Ų56.312%0.11928%0.275CS..Hα-helixtrans-65.2-38.2176.9-172.90000112.9S548 T549 F550 Y554 E555 Q556S548-S552 PolarHBondContact O-N 3.42Å; S548-S552 VanDerWaalsContact O-N 3.13Å; T549-S552 PolarHBondContact O-N 3.01Å; F550-S552 VanDerWaalsContact C-N 3.35Å; F550-S552 PolarHBondContact O-N 3.14Å; S552-Y554 VanDerWaalsContact C-N 3.28Å; S552-Y554 PolarHBondContact O-N 3.31Å; S552-E555 PolarHBondContact O-N 3.19Å; S552-Q556 WeakPolarHBondContact O-CB 3.43Å; S552-Q556 VanDerWaalsContact O-CG 3.3Å; S552-Q556 WeakPolarHBondContact O-CG 3.26Å; S552-Q556 PolarHBondContact O-N 3.34Å; S552-Q556 PolarHBondContact OG-NE2 2.65Å
553W94.9Very high92.8Very high1 Ų159.2 Ų59.20%0.00428%0.284CS..Hα-helixtrans-65.9-31.2174.6-70.5-9.6000113.1I518 G522 L525 F540 T549 F550 A551 H557 I558 V559 L598 F622I518-W553 PolarHBondContact O-NE1 2.95Å; G522-W553 VanDerWaalsContact CA-CE2 3.42Å; L525-W553 HydrophobicContact CD2-CH2 3.85Å; L525-W553 HydrophobicContact CD2-CZ3 3.66Å; F540-W553 HydrophobicContact CE1-CH2 4.35Å; F540-W553 AromaticContact CZ-CH2 3.68Å; F540-W553 HydrophobicContact CZ-CH2 3.68Å; F540-W553 HydrophobicContact CZ-CZ3 4.05Å; T549-W553 HydrophobicContact CG2-CD2 3.87Å; T549-W553 HydrophobicContact CG2-CE3 4.35Å; T549-W553 HydrophobicContact CG2-CG 4.44Å; T549-W553 HydrophobicContact CG2-CH2 4.01Å; T549-W553 HydrophobicContact CG2-CZ2 3.44Å; T549-W553 VanDerWaalsContact CG2-CZ2 3.44Å; T549-W553 HydrophobicContact CG2-CZ3 4.42Å; T549-W553 VanDerWaalsContact O-CG 3.26Å; T549-W553 PolarHBondContact O-N 3.04Å; F550-W553 PolarHBondContact O-N 2.95Å; A551-W553 PolarHBondContact O-N 3.36Å; W553-H557 PolarHBondContact O-N 3.35Å; W553-I558 HydrophobicContact CB-CB 4.29Å; W553-I558 PolarHBondContact O-N 3.09Å; W553-V559 HydrophobicContact CB-CG2 3.73Å; W553-V559 PolarHBondContact O-N 3.28Å; W553-L598 HydrophobicContact CZ3-CD1 4.3Å; W553-F622 HydrophobicContact CH2-CE2 4.15Å; W553-F622 HydrophobicContact CH2-CZ 4.22Å
554Y93.6Very high92.9Very high157 Ų15766.5 Ų66.562%0.61631%0.311SS*.Hα-helixtrans-68.8-47.8175-172.9-94.4000110.7F550 A551 S552 Q556 H557F550-Y554 PolarHBondContact O-N 2.53Å; A551-Y554 WeakPolarHBondContact O-CB 3.22Å; A551-Y554 PolarHBondContact O-N 2.85Å; S552-Y554 VanDerWaalsContact C-N 3.28Å; S552-Y554 PolarHBondContact O-N 3.31Å; Y554-Q556 VanDerWaalsContact C-N 3.26Å; Y554-Q556 PolarHBondContact O-N 2.96Å; Y554-H557 PolarHBondContact O-N 2.89Å; Y554-H557 VanDerWaalsContact O-N 3.09Å
555E93.3Very high93.2Very high150 Ų15063.2 Ų63.270%0.70130%0.298SS*.Hα-helixtrans-60.2-33.3175.6-70175.5179.100113.1A551 S552 H557A551-E555 PolarHBondContact O-N 3.13Å; S552-E555 PolarHBondContact O-N 3.19Å; E555-H557 VanDerWaalsContact C-N 3.31Å
556Q91.2Very high93.3Very high61 Ų6163.5 Ų63.529%0.28530%0.3SS..THydrogen-bonded Turntrans-86.14178.4-66.9175.314.300114S552 Y554 I558S552-Q556 WeakPolarHBondContact O-CB 3.43Å; S552-Q556 VanDerWaalsContact O-CG 3.3Å; S552-Q556 WeakPolarHBondContact O-CG 3.26Å; S552-Q556 PolarHBondContact O-N 3.34Å; S552-Q556 PolarHBondContact OG-NE2 2.65Å; Y554-Q556 VanDerWaalsContact C-N 3.26Å; Y554-Q556 PolarHBondContact O-N 2.96Å; Q556-I558 HydrophobicContact CB-CD1 4.05Å; Q556-I558 HydrophobicContact CB-CG1 3.97Å; Q556-I558 PolarHBondContact O-N 3.45Å; Q556-I558 VanDerWaalsContact O-N 3.14Å
557H92.4Very high93.5Very high111 Ų11165.6 Ų65.651%0.51431%0.311SS..THydrogen-bonded Turntrans56.422.5-175.2-56.8-80.1000114.9W553 Y554 E555 E560W553-H557 PolarHBondContact O-N 3.35Å; Y554-H557 PolarHBondContact O-N 2.89Å; Y554-H557 VanDerWaalsContact O-N 3.09Å; E555-H557 VanDerWaalsContact C-N 3.31Å; H557-E560 IonicContact CE1-OE1 3.54Å; H557-E560 IonicContact CG-OE1 2.7Å; H557-E560 IonicContact ND1-OE1 3.58Å; H557-E560 PolarHBondContact ND1-OE1 3.22Å
558I93.1Very high93.6Very high4 Ų461.8 Ų61.82%0.02129%0.294CS..Hα-helixtrans-74.2-35.3175.8-61.9175.2000110.2R519 A526 W553 Q556 E560 Q561 I562R519-I558 HydrophobicContact CG-CD1 4.3Å; A526-I558 HydrophobicContact CB-CG2 4.47Å; W553-I558 HydrophobicContact CB-CB 4.29Å; W553-I558 PolarHBondContact O-N 3.09Å; Q556-I558 HydrophobicContact CB-CD1 4.05Å; Q556-I558 HydrophobicContact CB-CG1 3.97Å; Q556-I558 PolarHBondContact O-N 3.45Å; Q556-I558 VanDerWaalsContact O-N 3.14Å; I558-E560 VanDerWaalsContact C-N 3.27Å; I558-E560 PolarHBondContact O-N 2.73Å; I558-Q561 WeakPolarHBondContact O-CB 3.49Å; I558-Q561 PolarHBondContact O-N 3.14Å; I558-Q561 VanDerWaalsContact O-N 3.09Å; I558-I562 HydrophobicContact CG2-CD1 4.05Å; I558-I562 HydrophobicContact CG2-CG1 4.48Å; I558-I562 PolarHBondContact O-N 3.42Å
559V93.5Very high93.8Very high3 Ų361.2 Ų61.22%0.01829%0.285CS..Hα-helixtrans-58.8-40.3178.1177.40000111.2F550 W553 Q561 I562 Q563 L568F550-V559 HydrophobicContact CD2-CG2 4.27Å; F550-V559 HydrophobicContact CE2-CG1 4.18Å; F550-V559 HydrophobicContact CE2-CG2 3.8Å; F550-V559 HydrophobicContact CZ-CG1 4.38Å; F550-V559 HydrophobicContact CZ-CG2 4.39Å; W553-V559 HydrophobicContact CB-CG2 3.73Å; W553-V559 PolarHBondContact O-N 3.28Å; V559-Q561 VanDerWaalsContact C-N 3.32Å; V559-Q561 PolarHBondContact O-N 3.44Å; V559-I562 PolarHBondContact O-N 2.89Å; V559-Q563 HydrophobicContact CG1-CG 4.21Å; V559-Q563 WeakPolarHBondContact O-CB 3.4Å; V559-Q563 WeakPolarHBondContact O-CG 3.39Å; V559-Q563 PolarHBondContact O-N 3.49Å; V559-L568 HydrophobicContact CG1-CD2 4.17Å
560E93.4Very high93.7Very high81 Ų8163.3 Ų63.338%0.37930%0.298SS..Hα-helixtrans-61.7-39.9176.2-66.6178.2-151.800112H557 I558 I562 Q563 R564H557-E560 IonicContact CE1-OE1 3.54Å; H557-E560 IonicContact CG-OE1 2.7Å; H557-E560 IonicContact ND1-OE1 3.58Å; H557-E560 PolarHBondContact ND1-OE1 3.22Å; I558-E560 VanDerWaalsContact C-N 3.27Å; I558-E560 PolarHBondContact O-N 2.73Å; E560-I562 VanDerWaalsContact C-N 3.34Å; E560-Q563 PolarHBondContact O-N 2.87Å; E560-R564 VanDerWaalsContact O-CG 3.32Å; E560-R564 WeakPolarHBondContact O-CG 3.39Å; E560-R564 PolarHBondContact O-N 2.63Å
561Q93.4Very high93.7Very high92 Ų9260.5 Ų60.543%0.4329%0.286SS..Hα-helixtrans-63.9-40.8176-61.7179.91.300111.4I558 V559I558-Q561 WeakPolarHBondContact O-CB 3.49Å; I558-Q561 PolarHBondContact O-N 3.14Å; I558-Q561 VanDerWaalsContact O-N 3.09Å; V559-Q561 VanDerWaalsContact C-N 3.32Å; V559-Q561 PolarHBondContact O-N 3.44Å
562I94.1Very high93.6Very high0 Ų060.4 Ų60.40%028%0.28CS..Hα-helixtrans-65.9-45176.2-62.8164.1000110.3L525 A526 I558 V559 E560 R564 N565 K566 L568 V596L525-I562 HydrophobicContact CB-CD1 4.32Å; L525-I562 HydrophobicContact CD2-CD1 3.78Å; L525-I562 HydrophobicContact CG-CD1 4Å; A526-I562 HydrophobicContact CB-CG1 3.98Å; I558-I562 HydrophobicContact CG2-CD1 4.05Å; I558-I562 HydrophobicContact CG2-CG1 4.48Å; I558-I562 PolarHBondContact O-N 3.42Å; V559-I562 PolarHBondContact O-N 2.89Å; E560-I562 VanDerWaalsContact C-N 3.34Å; I562-R564 VanDerWaalsContact C-N 3.29Å; I562-R564 PolarHBondContact O-N 3.03Å; I562-N565 PolarHBondContact O-N 3.17Å; I562-K566 PolarHBondContact O-N 3.45Å; I562-K566 VanDerWaalsContact O-O 3.13Å; I562-L568 HydrophobicContact CG2-CD1 4.32Å; I562-V596 HydrophobicContact CG2-CG2 4.26Å
563Q94.2Very high93.3Very high102 Ų10264.8 Ų64.848%0.47730%0.298SS..Hα-helixtrans-64.6-28.8-179.3-76.7-177.7-11.800113.8V559 E560 N565 K566V559-Q563 HydrophobicContact CG1-CG 4.21Å; V559-Q563 WeakPolarHBondContact O-CB 3.4Å; V559-Q563 WeakPolarHBondContact O-CG 3.39Å; V559-Q563 PolarHBondContact O-N 3.49Å; E560-Q563 PolarHBondContact O-N 2.87Å; Q563-N565 VanDerWaalsContact C-N 3.25Å; Q563-N565 PolarHBondContact O-N 3.27Å; Q563-K566 VanDerWaalsContact CA-O 3.3Å; Q563-K566 WeakPolarHBondContact CA-O 3.2Å
564R94.1Very high93Very high196 Ų19668.3 Ų68.374%0.7432%0.317SS*.Hα-helixtrans-62.7-33.6170.7-74.6173.3-168.4-177.55.4112.1E560 I562E560-R564 VanDerWaalsContact O-CG 3.32Å; E560-R564 WeakPolarHBondContact O-CG 3.39Å; E560-R564 PolarHBondContact O-N 2.63Å; I562-R564 VanDerWaalsContact C-N 3.29Å; I562-R564 PolarHBondContact O-N 3.03Å
565N93.2Very high92.6Very high70 Ų7062.2 Ų62.237%0.37430%0.3SS..Hα-helixtrans-90.3-44.8-177.6-61.8-21.3000112.5A526 S529 I562 Q563A526-N565 PolarHBondContact O-ND2 3.27Å; S529-N565 PolarHBondContact OG-ND2 3.27Å; I562-N565 PolarHBondContact O-N 3.17Å; Q563-N565 VanDerWaalsContact C-N 3.25Å; Q563-N565 PolarHBondContact O-N 3.27Å
566K95.2Very high92.3Very high13 Ų1362.1 Ų62.16%0.05730%0.299CS..SBendtrans-148.2154.9-173.5-68.5-174.5-173.1-67.40111.8S529 V532 D534 I536 I562 Q563 V596S529-K566 VanDerWaalsContact O-CE 3.26Å; S529-K566 WeakPolarHBondContact O-CE 3.45Å; V532-K566 WeakPolarHBondContact O-CE 3.4Å; V532-K566 PolarHBondContact O-NZ 3.22Å; D534-K566 PolarHBondContact O-NZ 3.05Å; I536-K566 HydrophobicContact CD1-CD 4.25Å; I536-K566 HydrophobicContact CG1-CD 4.41Å; I562-K566 PolarHBondContact O-N 3.45Å; I562-K566 VanDerWaalsContact O-O 3.13Å; Q563-K566 VanDerWaalsContact CA-O 3.3Å; Q563-K566 WeakPolarHBondContact CA-O 3.2Å; K566-V596 HydrophobicContact CB-CG2 3.86Å; K566-V596 HydrophobicContact CD-CG2 3.84Å; K566-V596 HydrophobicContact CG-CG2 4.47Å
567L95.4Very high92.4Very high51 Ų5164.2 Ų64.227%0.26731%0.309SS..EExtended strand (participates in β ladder)trans-69.6140.8171.3-68.8-178.3000111.1F569 A588 R593 G594 A595 V596L567-F569 HydrophobicContact CB-CE2 3.78Å; L567-F569 HydrophobicContact CB-CZ 4.16Å; L567-F569 HydrophobicContact CD1-CZ 4.28Å; L567-A588 HydrophobicContact CD1-CB 3.9Å; L567-R593 HydrophobicContact CD1-CG 4.43Å; L567-R593 VanDerWaalsContact CD2-CZ 3.49Å; L567-R593 HydrophobicContact CG-CG 4.17Å; L567-G594 PolarHBondContact N-O 2.98Å; L567-G594 VanDerWaalsContact N-O 3.13Å; L567-A595 CarbonylContact O-C 3.58Å; L567-A595 VanDerWaalsContact O-CA 3.26Å; L567-A595 WeakPolarHBondContact O-CA 3.32Å; L567-V596 PolarHBondContact O-N 3.24Å
568L95.3Very high92.2Very high29 Ų2959.1 Ų59.115%0.15229%0.286CS..EExtended strand (participates in β ladder)trans-107.7129.4-179.8-169.171.4000110.4F550 V559 I562 V596 L598F550-L568 HydrophobicContact CD2-CD2 4.33Å; F550-L568 HydrophobicContact CE2-CD2 3.45Å; F550-L568 VanDerWaalsContact CE2-CD2 3.45Å; F550-L568 HydrophobicContact CZ-CD2 4.21Å; V559-L568 HydrophobicContact CG1-CD2 4.17Å; I562-L568 HydrophobicContact CG2-CD1 4.32Å; L568-V596 HydrophobicContact CD1-CB 3.7Å; L568-V596 HydrophobicContact CD1-CG1 3.65Å; L568-L598 HydrophobicContact CD1-CD1 3.96Å; L568-L598 HydrophobicContact CD1-CD2 3.97Å; L568-L598 HydrophobicContact CD1-CG 3.74Å; L568-L598 HydrophobicContact CD2-CD1 4.23Å; L568-L598 HydrophobicContact CG-CD1 4.38Å; L568-L598 HydrophobicContact CG-CG 4.44Å
569F95.2Very high92Very high37 Ų3762.4 Ų62.416%0.16231%0.309CS..EExtended strand (participates in β ladder)trans-124.4142174.1-60.3-80.2000109.3L567 A584 Y585 A588 A595 V596 L597 L598L567-F569 HydrophobicContact CB-CE2 3.78Å; L567-F569 HydrophobicContact CB-CZ 4.16Å; L567-F569 HydrophobicContact CD1-CZ 4.28Å; F569-A584 HydrophobicContact CD1-CB 4.15Å; F569-A584 HydrophobicContact CE1-CB 3.43Å; F569-A584 VanDerWaalsContact CE1-CB 3.43Å; F569-A584 HydrophobicContact CZ-CB 3.83Å; F569-Y585 AromaticContact CD2-CD2 3.95Å; F569-Y585 HydrophobicContact CD2-CD2 3.95Å; F569-A588 HydrophobicContact CE2-CB 3.94Å; F569-A588 HydrophobicContact CZ-CB 4.22Å; F569-A595 HydrophobicContact CD2-CB 4.01Å; F569-A595 HydrophobicContact CE2-CB 3.79Å; F569-V596 PolarHBondContact N-O 3.27Å; F569-L597 HydrophobicContact CB-CD1 3.98Å; F569-L597 WeakPolarHBondContact O-CA 3.36Å; F569-L598 PolarHBondContact O-N 3.26Å
570V93.3Very high92Very high43 Ų4368.4 Ų68.426%0.26134%0.34SS..EExtended strand (participates in β ladder)trans-123.7131.5-175.4-177.10000109.4L546 L598L546-V570 HydrophobicContact CD1-CG1 4.45Å; L546-V570 HydrophobicContact CD2-CG1 3.64Å; V570-L598 HydrophobicContact CG2-CB 4.44Å; V570-L598 HydrophobicContact CG2-CD1 4.2Å
571E92.2Very high92Very high4 Ų465.4 Ų65.42%0.01933%0.329CS..  trans-73.4128.1171.7-175.4-177.4175.600110.4Y543 T578 L598 S599 V600 G603 R604 V605Y543-E571 HydrophobicContact CE1-CG 4.2Å; Y543-E571 PolarHBondContact OH-OE1 3.27Å; E571-T578 HydrophobicContact CG-CG2 3.98Å; E571-L598 WeakPolarHBondContact CB-O 3.44Å; E571-L598 PolarHBondContact N-O 3Å; E571-S599 VanDerWaalsContact OE2-CA 3.26Å; E571-S599 WeakPolarHBondContact OE2-CA 3.48Å; E571-S599 WeakPolarHBondContact OE2-CB 3.05Å; E571-V600 PolarHBondContact OE2-N 3.41Å; E571-G603 VanDerWaalsContact OE1-CA 3.22Å; E571-G603 WeakPolarHBondContact OE1-CA 3.45Å; E571-R604 PolarHBondContact OE1-N 3.29Å; E571-V605 HydrophobicContact CB-CG2 4.4Å; E571-V605 VanDerWaalsContact CD-CG2 3.46Å; E571-V605 HydrophobicContact CG-CG2 3.87Å; E571-V605 PolarHBondContact OE1-N 3.38Å
572T91.1Very high91.9Very high47 Ų4761.7 Ų61.729%0.28831%0.312SS..  trans-106.9171.817366.20000110.4D574 E577 T578T572-D574 PolarHBondContact O-N 3.25Å; T572-E577 WeakPolarHBondContact CB-OE2 3.32Å; T572-E577 WeakPolarHBondContact CG2-OE2 3.47Å; T572-E577 WeakPolarHBondContact OG1-CB 3.5Å; T572-E577 PolarHBondContact OG1-OE2 3.26Å; T572-T578 PolarHBondContact N-OG1 3.31Å; T572-T578 PolarHBondContact O-OG1 3.36Å
573Q87.3Confident91.8Very high108 Ų10863.5 Ų63.551%0.50533%0.328SS..SBendtrans-73.1-15.9174.9-67.9175.926.900112.2Y543Y543-Q573 HydrophobicContact CD1-CG 4.08Å; Y543-Q573 HydrophobicContact CD2-CG 4.03Å; Y543-Q573 HydrophobicContact CE1-CG 4.13Å; Y543-Q573 HydrophobicContact CE2-CG 4.07Å; Y543-Q573 HydrophobicContact CG-CG 4.04Å
574D89.9Confident91.8Very high75 Ų7560.2 Ų60.240%0.40132%0.318SS..  trans-79.2134.2178.4-170.914.7000111.7T572 E576 E577 T578T572-D574 PolarHBondContact O-N 3.25Å; D574-E576 PolarHBondContact OD1-N 2.59Å; D574-E577 HydrophobicContact CB-CB 4.23Å; D574-E577 HydrophobicContact CB-CG 4.25Å; D574-T578 VanDerWaalsContact O-CB 3.25Å; D574-T578 WeakPolarHBondContact O-CB 3.27Å; D574-T578 PolarHBondContact O-N 3.4Å; D574-T578 PolarHBondContact O-OG1 3.18Å
575A84.5Confident91.8Very high30 Ų3050.9 Ų50.925%0.24828%0.282CS..Hα-helixtrans-65.3-44.1-177.600000112S579A575-S579 WeakPolarHBondContact O-CB 3.45Å; A575-S579 PolarHBondContact O-N 3.35Å; A575-S579 PolarHBondContact O-OG 3.13Å
576E87.7Confident91.7Very high148 Ų14849.9 Ų49.969%0.69228%0.276SS*.Hα-helixtrans-75.1-47.9-170.9-62.6-170.4171.700110.1D574 T578 S579 L580D574-E576 PolarHBondContact OD1-N 2.59Å; E576-T578 PolarHBondContact O-N 3.05Å; E576-S579 PolarHBondContact O-N 3.43Å; E576-L580 WeakPolarHBondContact O-CG 3.35Å; E576-L580 PolarHBondContact O-N 3.36Å
577E91.4Very high91.7Very high104 Ų10457.2 Ų57.249%0.48630%0.303SS..Hα-helixtrans-56.9-47173-70.9-173.8162.500112.2T572 D574 S579 L580 A581T572-E577 WeakPolarHBondContact CB-OE2 3.32Å; T572-E577 WeakPolarHBondContact CG2-OE2 3.47Å; T572-E577 WeakPolarHBondContact OG1-CB 3.5Å; T572-E577 PolarHBondContact OG1-OE2 3.26Å; D574-E577 HydrophobicContact CB-CB 4.23Å; D574-E577 HydrophobicContact CB-CG 4.25Å; E577-S579 VanDerWaalsContact C-N 3.3Å; E577-S579 PolarHBondContact O-N 2.95Å; E577-L580 PolarHBondContact O-N 2.68Å; E577-A581 WeakPolarHBondContact O-CB 3.17Å; E577-A581 PolarHBondContact O-N 3.32Å
578T89.6Confident91.6Very high4 Ų455.2 Ų55.23%0.02529%0.293CS..Hα-helixtrans-60.3-42.7178.2-64.10000111E571 T572 D574 E576 L580 A581 L582 V605E571-T578 HydrophobicContact CG-CG2 3.98Å; T572-T578 PolarHBondContact N-OG1 3.31Å; T572-T578 PolarHBondContact O-OG1 3.36Å; D574-T578 VanDerWaalsContact O-CB 3.25Å; D574-T578 WeakPolarHBondContact O-CB 3.27Å; D574-T578 PolarHBondContact O-N 3.4Å; D574-T578 PolarHBondContact O-OG1 3.18Å; E576-T578 PolarHBondContact O-N 3.05Å; T578-L580 VanDerWaalsContact C-N 3.35Å; T578-L580 PolarHBondContact O-N 2.71Å; T578-A581 PolarHBondContact O-N 3.47Å; T578-L582 HydrophobicContact CG2-CD1 3.81Å; T578-L582 HydrophobicContact CG2-CG 4.45Å; T578-L582 WeakPolarHBondContact O-CB 3.4Å; T578-L582 VanDerWaalsContact O-CD1 3.26Å; T578-L582 WeakPolarHBondContact O-CD1 3.23Å; T578-L582 VanDerWaalsContact O-CG 3.23Å; T578-L582 WeakPolarHBondContact O-CG 3.46Å; T578-L582 PolarHBondContact O-N 3.37Å; T578-V605 HydrophobicContact CG2-CG2 3.74Å
579S88.7Confident91.5Very high74 Ų7454 Ų5452%0.51729%0.287SS..Hα-helixtrans-63.3-40178-58.40000112.2A575 E576 E577 A583A575-S579 WeakPolarHBondContact O-CB 3.45Å; A575-S579 PolarHBondContact O-N 3.35Å; A575-S579 PolarHBondContact O-OG 3.13Å; E576-S579 PolarHBondContact O-N 3.43Å; E577-S579 VanDerWaalsContact C-N 3.3Å; E577-S579 PolarHBondContact O-N 2.95Å; S579-A583 WeakPolarHBondContact O-CB 3.35Å; S579-A583 PolarHBondContact O-N 3.43Å
580L93.2Very high91.3Very high128 Ų12858.2 Ų58.267%0.6731%0.307SS*.Hα-helixtrans-66.7-43.4174.5-70.5171.4000111.9E576 E577 T578 L582 A583 A584E576-L580 WeakPolarHBondContact O-CG 3.35Å; E576-L580 PolarHBondContact O-N 3.36Å; E577-L580 PolarHBondContact O-N 2.68Å; T578-L580 VanDerWaalsContact C-N 3.35Å; T578-L580 PolarHBondContact O-N 2.71Å; L580-L582 VanDerWaalsContact C-N 3.33Å; L580-L582 PolarHBondContact O-N 3.41Å; L580-A583 PolarHBondContact O-N 3.37Å; L580-A584 WeakPolarHBondContact O-CB 3.22Å; L580-A584 PolarHBondContact O-N 2.78Å
581A93.1Very high91.3Very high18 Ų1862.6 Ų62.615%0.14933%0.329CS..Hα-helixtrans-61.3-41.5177.800000111.6E577 T578 A584 Y585E577-A581 WeakPolarHBondContact O-CB 3.17Å; E577-A581 PolarHBondContact O-N 3.32Å; T578-A581 PolarHBondContact O-N 3.47Å; A581-A584 PolarHBondContact O-N 2.95Å; A581-Y585 WeakPolarHBondContact O-CB 3.35Å; A581-Y585 PolarHBondContact O-N 3.02Å
582L91Very high91.1Very high14 Ų1465.1 Ų65.17%0.07336%0.357CS..Hα-helixtrans-64.5-47.7174.3-71.8156.9000111.9T578 L580 A584 Y585 H586 L597 V605 I609T578-L582 HydrophobicContact CG2-CD1 3.81Å; T578-L582 HydrophobicContact CG2-CG 4.45Å; T578-L582 WeakPolarHBondContact O-CB 3.4Å; T578-L582 VanDerWaalsContact O-CD1 3.26Å; T578-L582 WeakPolarHBondContact O-CD1 3.23Å; T578-L582 VanDerWaalsContact O-CG 3.23Å; T578-L582 WeakPolarHBondContact O-CG 3.46Å; T578-L582 PolarHBondContact O-N 3.37Å; L580-L582 VanDerWaalsContact C-N 3.33Å; L580-L582 PolarHBondContact O-N 3.41Å; L582-A584 PolarHBondContact O-N 3.13Å; L582-Y585 WeakPolarHBondContact O-CA 3.2Å; L582-Y585 VanDerWaalsContact O-CB 3.31Å; L582-Y585 WeakPolarHBondContact O-CB 3.34Å; L582-Y585 PolarHBondContact O-N 3.19Å; L582-Y585 VanDerWaalsContact O-N 3.09Å; L582-H586 PolarHBondContact O-CD2 3.15Å; L582-H586 PolarHBondContact O-N 3.2Å; L582-L597 HydrophobicContact CD2-CD2 3.79Å; L582-V605 HydrophobicContact CD1-CG2 4.17Å; L582-V605 HydrophobicContact CD2-CG1 4.16Å; L582-V605 HydrophobicContact CD2-CG2 4.08Å; L582-V605 HydrophobicContact CG-CG2 4.39Å; L582-I609 HydrophobicContact CD1-CD1 3.05Å; L582-I609 HydrophobicContact CD2-CD1 3.63Å; L582-I609 HydrophobicContact CD2-CG2 4.48Å; L582-I609 HydrophobicContact CG-CD1 3.92Å
583A92.1Very high91Very high39 Ų3970.5 Ų70.532%0.32237%0.372SS..Hα-helixtrans-59.4-38.7177.400000111.8S579 L580 R587S579-A583 WeakPolarHBondContact O-CB 3.35Å; S579-A583 PolarHBondContact O-N 3.43Å; L580-A583 PolarHBondContact O-N 3.37Å; A583-R587 WeakPolarHBondContact O-CG 3.2Å; A583-R587 PolarHBondContact O-N 3.24Å
584A94.1Very high91.2Very high32 Ų3265.4 Ų65.426%0.26435%0.348SS..Hα-helixtrans-68.7-38.5174.400000112.5F569 L580 A581 L582 R587 A588F569-A584 HydrophobicContact CD1-CB 4.15Å; F569-A584 HydrophobicContact CE1-CB 3.43Å; F569-A584 VanDerWaalsContact CE1-CB 3.43Å; F569-A584 HydrophobicContact CZ-CB 3.83Å; L580-A584 WeakPolarHBondContact O-CB 3.22Å; L580-A584 PolarHBondContact O-N 2.78Å; A581-A584 PolarHBondContact O-N 2.95Å; L582-A584 PolarHBondContact O-N 3.13Å; A584-R587 PolarHBondContact O-N 3.42Å; A584-A588 WeakPolarHBondContact O-CB 3.38Å; A584-A588 PolarHBondContact O-N 3.19Å
585Y94.5Very high91.5Very high0 Ų061.8 Ų61.80%033%0.329CS..Hα-helixtrans-58.3-49.8173.7176.5-97.5000112G535 I536 V537 F569 A581 L582 R587 A588 C589 A595 L597 F611 L615G535-Y585 WeakPolarHBondContact CA-OH 3.32Å; I536-Y585 PolarHBondContact O-OH 3.38Å; V537-Y585 WeakPolarHBondContact CG2-OH 3.12Å; F569-Y585 AromaticContact CD2-CD2 3.95Å; F569-Y585 HydrophobicContact CD2-CD2 3.95Å; A581-Y585 WeakPolarHBondContact O-CB 3.35Å; A581-Y585 PolarHBondContact O-N 3.02Å; L582-Y585 WeakPolarHBondContact O-CA 3.2Å; L582-Y585 VanDerWaalsContact O-CB 3.31Å; L582-Y585 WeakPolarHBondContact O-CB 3.34Å; L582-Y585 PolarHBondContact O-N 3.19Å; L582-Y585 VanDerWaalsContact O-N 3.09Å; Y585-R587 PolarHBondContact O-N 3.37Å; Y585-A588 PolarHBondContact O-N 2.7Å; Y585-C589 PolarHBondContact O-N 3.06Å; Y585-C589 PolarHBondContact O-SG 3.07Å; Y585-A595 HydrophobicContact CD2-CB 3.41Å; Y585-A595 VanDerWaalsContact CD2-CB 3.41Å; Y585-A595 HydrophobicContact CE2-CB 3.55Å; Y585-A595 HydrophobicContact CG-CB 4.36Å; Y585-L597 HydrophobicContact CD2-CB 3.74Å; Y585-L597 HydrophobicContact CE2-CB 3.58Å; Y585-L597 HydrophobicContact CG-CB 4.37Å; Y585-F611 HydrophobicContact CE1-CD1 4.29Å; Y585-F611 HydrophobicContact CE1-CE1 4.28Å; Y585-L615 WeakPolarHBondContact CE1-O 3.25Å; Y585-L615 PolarHBondContact OH-O 3.48Å
586H91.9Very high92.1Very high50 Ų5060.4 Ų60.423%0.23132%0.317CS..Hα-helixtrans-56.5-51.1176.7-77.5-81.2000111.4L582 A588 C589 E590 L615L582-H586 PolarHBondContact O-CD2 3.15Å; L582-H586 PolarHBondContact O-N 3.2Å; H586-A588 VanDerWaalsContact C-N 3.3Å; H586-A588 PolarHBondContact O-N 2.82Å; H586-C589 PolarHBondContact O-N 3.12Å; H586-E590 WeakPolarHBondContact O-CG 3.49Å; H586-E590 PolarHBondContact O-N 3.49Å; H586-L615 HydrophobicContact CB-CD2 4.49Å; H586-L615 WeakPolarHBondContact CE1-CD1 3.47Å; H586-L615 VanDerWaalsContact ND1-CD1 3.26Å; H586-L615 WeakPolarHBondContact ND1-CD1 3.42Å; H586-L615 WeakPolarHBondContact ND1-CD2 3.36Å
587R93.8Very high92.4Very high167 Ų16753.4 Ų53.463%0.6329%0.285SS*.Hα-helixtrans-59.1-39.5177.8-69.2176.2-167163.34.6112.6A583 A584 Y585 E590 N591A583-R587 WeakPolarHBondContact O-CG 3.2Å; A583-R587 PolarHBondContact O-N 3.24Å; A584-R587 PolarHBondContact O-N 3.42Å; Y585-R587 PolarHBondContact O-N 3.37Å; R587-E590 PolarHBondContact O-N 3.23Å; R587-N591 VanDerWaalsContact O-CB 3.26Å; R587-N591 WeakPolarHBondContact O-CB 3.32Å; R587-N591 PolarHBondContact O-N 2.98Å; R587-N591 PolarHBondContact O-ND2 3.24Å; R587-N591 VanDerWaalsContact O-ND2 3.14Å
588A94.4Very high92.6Very high8 Ų848.5 Ų48.57%0.06626%0.262CS..Hα-helixtrans-67.8-37.2-18000000112.8L567 F569 A584 Y585 H586 R593 G594 A595L567-A588 HydrophobicContact CD1-CB 3.9Å; F569-A588 HydrophobicContact CE2-CB 3.94Å; F569-A588 HydrophobicContact CZ-CB 4.22Å; A584-A588 WeakPolarHBondContact O-CB 3.38Å; A584-A588 PolarHBondContact O-N 3.19Å; Y585-A588 PolarHBondContact O-N 2.7Å; H586-A588 VanDerWaalsContact C-N 3.3Å; H586-A588 PolarHBondContact O-N 2.82Å; A588-R593 PolarHBondContact O-N 2.81Å; A588-G594 PolarHBondContact O-N 2.78Å; A588-A595 HydrophobicContact CB-CB 3.87Å
589C92.5Very high92.8Very high3 Ų348.3 Ų48.32%0.0226%0.261CS..Hα-helixtrans-69.3-39.7174.1-71.50000112.1Y585 H586 G592 L615Y585-C589 PolarHBondContact O-N 3.06Å; Y585-C589 PolarHBondContact O-SG 3.07Å; H586-C589 PolarHBondContact O-N 3.12Å; C589-G592 PolarHBondContact O-N 2.89Å; C589-L615 HydrophobicContact CB-CD2 3.77Å
590E92Very high93.1Very high126 Ų12645 Ų4559%0.58924%0.237SC*.Hα-helixtrans-71.1-36.5178.5-71171.5-178.400112.8H586 R587 G592H586-E590 WeakPolarHBondContact O-CG 3.49Å; H586-E590 PolarHBondContact O-N 3.49Å; R587-E590 PolarHBondContact O-N 3.23Å; E590-G592 PolarHBondContact O-N 3.44Å
591N92.1Very high93Very high135 Ų13538.9 Ų38.972%0.72221%0.205SC*.THydrogen-bonded Turntrans-76.32179.1-68.4-22.4000113.8R587 R593R587-N591 VanDerWaalsContact O-CB 3.26Å; R587-N591 WeakPolarHBondContact O-CB 3.32Å; R587-N591 PolarHBondContact O-N 2.98Å; R587-N591 PolarHBondContact O-ND2 3.24Å; R587-N591 VanDerWaalsContact O-ND2 3.14Å; N591-R593 VanDerWaalsContact C-N 3.31Å; N591-R593 PolarHBondContact O-N 3.12Å
592G88.2Confident92.6Very high58 Ų5842.1 Ų42.160%0.59821%0.214SC*.THydrogen-bonded Turntrans78.81175.500000116C589 E590 G594C589-G592 PolarHBondContact O-N 2.89Å; E590-G592 PolarHBondContact O-N 3.44Å; G592-G594 VanDerWaalsContact C-N 3.31Å
593R89.5Confident92.2Very high159 Ų15941.6 Ų41.660%0.621%0.212SC*.SBendtrans-72.7-28.5175-170.5165.6179.4169.21.1112L567 A588 N591L567-R593 HydrophobicContact CD1-CG 4.43Å; L567-R593 VanDerWaalsContact CD2-CZ 3.49Å; L567-R593 HydrophobicContact CG-CG 4.17Å; A588-R593 PolarHBondContact O-N 2.81Å; N591-R593 VanDerWaalsContact C-N 3.31Å; N591-R593 PolarHBondContact O-N 3.12Å
594G91.9Very high91.6Very high1 Ų146.7 Ų46.71%0.0122%0.223CC..  trans74.4152.9-173.500000112.4D534 L567 A588 G592D534-G594 WeakPolarHBondContact O-CA 3.48Å; L567-G594 PolarHBondContact N-O 2.98Å; L567-G594 VanDerWaalsContact N-O 3.13Å; A588-G594 PolarHBondContact O-N 2.78Å; G592-G594 VanDerWaalsContact C-N 3.31Å
595A95.7Very high91.1Very high0 Ų045.2 Ų45.20%021%0.21CC..EExtended strand (participates in β ladder)trans-145.1153.8-17500000112.2D534 G535 I536 L567 F569 Y585 A588D534-A595 PolarHBondContact O-N 3.1Å; D534-A595 VanDerWaalsContact O-N 3.1Å; G535-A595 CarbonylContact C-O 3.43Å; G535-A595 WeakPolarHBondContact CA-O 3.01Å; I536-A595 PolarHBondContact N-O 2.96Å; L567-A595 CarbonylContact O-C 3.58Å; L567-A595 VanDerWaalsContact O-CA 3.26Å; L567-A595 WeakPolarHBondContact O-CA 3.32Å; F569-A595 HydrophobicContact CD2-CB 4.01Å; F569-A595 HydrophobicContact CE2-CB 3.79Å; Y585-A595 HydrophobicContact CD2-CB 3.41Å; Y585-A595 VanDerWaalsContact CD2-CB 3.41Å; Y585-A595 HydrophobicContact CE2-CB 3.55Å; Y585-A595 HydrophobicContact CG-CB 4.36Å; A588-A595 HydrophobicContact CB-CB 3.87Å
596V96.1Very high90.5Very high0 Ų045.2 Ų45.20%021%0.21CC..EExtended strand (participates in β ladder)trans-118.8121.3173.7-179.80000107.3L525 I536 I562 K566 L567 L568 F569 L598L525-V596 HydrophobicContact CD1-CG1 3.97Å; L525-V596 HydrophobicContact CD2-CG1 4.25Å; I536-V596 HydrophobicContact CB-CG2 4.21Å; I536-V596 HydrophobicContact CD1-CG2 4.41Å; I536-V596 CarbonylContact O-C 3.54Å; I536-V596 WeakPolarHBondContact O-CA 3.44Å; I562-V596 HydrophobicContact CG2-CG2 4.26Å; K566-V596 HydrophobicContact CB-CG2 3.86Å; K566-V596 HydrophobicContact CD-CG2 3.84Å; K566-V596 HydrophobicContact CG-CG2 4.47Å; L567-V596 PolarHBondContact O-N 3.24Å; L568-V596 HydrophobicContact CD1-CB 3.7Å; L568-V596 HydrophobicContact CD1-CG1 3.65Å; F569-V596 PolarHBondContact N-O 3.27Å; V596-L598 HydrophobicContact CG1-CD2 3.76Å
597L95.3Very high89.7Confident1 Ų145.2 Ų45.21%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-103.1113.9174.4-178.263000109.2I536 A538 F569 L582 Y585 V605 F611I536-L597 PolarHBondContact O-N 3.25Å; A538-L597 PolarHBondContact N-O 3.32Å; F569-L597 HydrophobicContact CB-CD1 3.98Å; F569-L597 WeakPolarHBondContact O-CA 3.36Å; L582-L597 HydrophobicContact CD2-CD2 3.79Å; Y585-L597 HydrophobicContact CD2-CB 3.74Å; Y585-L597 HydrophobicContact CE2-CB 3.58Å; Y585-L597 HydrophobicContact CG-CB 4.37Å; L597-V605 HydrophobicContact CD2-CG1 3.88Å; L597-F611 HydrophobicContact CD2-CE1 3.81Å; L597-F611 HydrophobicContact CD2-CZ 3.86Å
598L95.5Very high88.4Confident1 Ų138.6 Ų38.61%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-88.6113.6170.8-50.4-172.6000108.5L525 A538 F540 L546 F550 W553 L568 F569 V570 E571 V596L525-L598 HydrophobicContact CD2-CD2 3.87Å; A538-L598 HydrophobicContact CB-CD2 3.9Å; A538-L598 WeakPolarHBondContact O-CA 3.31Å; F540-L598 HydrophobicContact CE2-CB 4.16Å; F540-L598 HydrophobicContact CE2-CD2 4.1Å; F540-L598 HydrophobicContact CE2-CG 4.48Å; L546-L598 HydrophobicContact CD1-CB 3.97Å; F550-L598 HydrophobicContact CD2-CD1 4.09Å; W553-L598 HydrophobicContact CZ3-CD1 4.3Å; L568-L598 HydrophobicContact CD1-CD1 3.96Å; L568-L598 HydrophobicContact CD1-CD2 3.97Å; L568-L598 HydrophobicContact CD1-CG 3.74Å; L568-L598 HydrophobicContact CD2-CD1 4.23Å; L568-L598 HydrophobicContact CG-CD1 4.38Å; L568-L598 HydrophobicContact CG-CG 4.44Å; F569-L598 PolarHBondContact O-N 3.26Å; V570-L598 HydrophobicContact CG2-CB 4.44Å; V570-L598 HydrophobicContact CG2-CD1 4.2Å; E571-L598 WeakPolarHBondContact CB-O 3.44Å; E571-L598 PolarHBondContact N-O 3Å; V596-L598 HydrophobicContact CG1-CD2 3.76Å
599S94.1Very high87.7Confident0 Ų040 Ų400%020%0.2CC..EExtended strand (participates in β ladder)trans-127.9171.4-174.156.10000111.5A538 F539 F540 E571A538-S599 PolarHBondContact O-N 3.47Å; A538-S599 PolarHBondContact O-OG 3.48Å; F539-S599 CarbonylContact C-O 3.59Å; F539-S599 WeakPolarHBondContact CA-O 3.12Å; F539-S599 WeakPolarHBondContact CD1-OG 3.47Å; F539-S599 WeakPolarHBondContact CE1-OG 3.3Å; F540-S599 PolarHBondContact N-O 3Å; E571-S599 VanDerWaalsContact OE2-CA 3.26Å; E571-S599 WeakPolarHBondContact OE2-CA 3.48Å; E571-S599 WeakPolarHBondContact OE2-CB 3.05Å
600V93.5Very high86.9Confident4 Ų441.3 Ų41.32%0.02421%0.207CC..EExtended strand (participates in β ladder)trans-112.6139.4177.2179.70000110F540 Y543 L546 E571 R602 G603 S606F540-V600 WeakPolarHBondContact O-CA 3.36Å; Y543-V600 HydrophobicContact CD1-CG2 3.61Å; Y543-V600 HydrophobicContact CD2-CG1 4.32Å; Y543-V600 HydrophobicContact CD2-CG2 4.17Å; Y543-V600 HydrophobicContact CE1-CB 4.25Å; Y543-V600 HydrophobicContact CE1-CG2 3.68Å; Y543-V600 HydrophobicContact CE2-CB 4.21Å; Y543-V600 HydrophobicContact CE2-CG1 4.23Å; Y543-V600 HydrophobicContact CE2-CG2 4.23Å; Y543-V600 HydrophobicContact CG-CG2 3.86Å; L546-V600 HydrophobicContact CD1-CG2 4.27Å; E571-V600 PolarHBondContact OE2-N 3.41Å; V600-R602 PolarHBondContact O-N 2.97Å; V600-R602 VanDerWaalsContact O-N 3.15Å; V600-G603 WeakPolarHBondContact O-CA 3.43Å; V600-G603 PolarHBondContact O-N 3.17Å; V600-S606 WeakPolarHBondContact O-CB 3.33Å
601V90.9Very high86.4Confident0 Ų035.3 Ų35.30%018%0.179CC..THydrogen-bonded Turntrans-60.9-25.1-176.4172.20000114.4F539 F540 S606 M621 P625 H660F539-V601 HydrophobicContact CB-CG2 3.66Å; F539-V601 HydrophobicContact CG-CG2 4.38Å; F540-V601 PolarHBondContact O-N 3.4Å; V601-S606 VanDerWaalsContact C-OG 3.31Å; V601-S606 VanDerWaalsContact O-CB 3.31Å; V601-S606 WeakPolarHBondContact O-CB 3.18Å; V601-S606 PolarHBondContact O-OG 3.34Å; V601-M621 HydrophobicContact CG2-CE 3.29Å; V601-M621 HydrophobicContact CG2-SD 3.37Å; V601-M621 WeakPolarHBondContact CG2-SD 3.28Å; V601-P625 HydrophobicContact CB-CB 3.87Å; V601-P625 HydrophobicContact CG1-CB 3.56Å; V601-P625 HydrophobicContact CG1-CG 3.89Å; V601-P625 HydrophobicContact CG2-CB 3.92Å; V601-P625 HydrophobicContact CG2-CG 4.45Å; V601-H660 HydrophobicContact CG1-CB 3.52Å
602R86.1Confident85.9Confident87 Ų8732.1 Ų32.133%0.32816%0.161SC..THydrogen-bonded Turntrans-112.813.8175-57-179.5-172.6-128-8111.7V600 P625 D656V600-R602 PolarHBondContact O-N 2.97Å; V600-R602 VanDerWaalsContact O-N 3.15Å; R602-P625 PolarHBondContact NH2-O 3.15Å; R602-D656 IonicContact CZ-OD2 2.7Å; R602-D656 IonicContact NH1-OD2 3.29Å; R602-D656 IonicContact NH2-OD2 2.95Å; R602-D656 PolarHBondContact NH2-OD2 2.92Å
603G82.8Confident85.7Confident3 Ų333.1 Ų33.13%0.03115%0.15CC..SBendtrans-79.5172.8175.400000110.9Y543 E571 V600 V605 S606Y543-G603 WeakPolarHBondContact OH-CA 3.32Å; E571-G603 VanDerWaalsContact OE1-CA 3.22Å; E571-G603 WeakPolarHBondContact OE1-CA 3.45Å; V600-G603 WeakPolarHBondContact O-CA 3.43Å; V600-G603 PolarHBondContact O-N 3.17Å; G603-V605 VanDerWaalsContact C-N 3.28Å; G603-V605 PolarHBondContact O-N 3.41Å; G603-S606 PolarHBondContact O-N 2.87Å; G603-S606 PolarHBondContact O-OG 3.04Å
604R79.5Confident85.7Confident145 Ų14528.3 Ų28.355%0.54714%0.135SC..SBendtrans-67.3-33.7-175.1-62-176.5-174.5-161.18.2112E571 S606 E607 G608E571-R604 PolarHBondContact OE1-N 3.29Å; R604-S606 VanDerWaalsContact C-N 3.27Å; R604-S606 PolarHBondContact O-N 2.95Å; R604-E607 PolarHBondContact O-N 3.31Å; R604-G608 PolarHBondContact O-N 3.14Å
605V83.4Confident85.6Confident1 Ų128.8 Ų28.81%0.00614%0.137CC..Hα-helixtrans-61.1-38.6179.5177.50000111.3E571 T578 L582 L597 G603 E607 I609 F611E571-V605 HydrophobicContact CB-CG2 4.4Å; E571-V605 VanDerWaalsContact CD-CG2 3.46Å; E571-V605 HydrophobicContact CG-CG2 3.87Å; E571-V605 PolarHBondContact OE1-N 3.38Å; T578-V605 HydrophobicContact CG2-CG2 3.74Å; L582-V605 HydrophobicContact CD1-CG2 4.17Å; L582-V605 HydrophobicContact CD2-CG1 4.16Å; L582-V605 HydrophobicContact CD2-CG2 4.08Å; L582-V605 HydrophobicContact CG-CG2 4.39Å; L597-V605 HydrophobicContact CD2-CG1 3.88Å; G603-V605 VanDerWaalsContact C-N 3.28Å; G603-V605 PolarHBondContact O-N 3.41Å; V605-E607 VanDerWaalsContact C-N 3.25Å; V605-E607 PolarHBondContact O-N 3.06Å; V605-I609 HydrophobicContact CB-CD1 4.47Å; V605-I609 HydrophobicContact CG1-CD1 4.43Å; V605-I609 HydrophobicContact CG2-CD1 4.35Å; V605-F611 HydrophobicContact CG1-CE2 4.34Å; V605-F611 HydrophobicContact CG1-CZ 3.6Å
606S81.7Confident85.2Confident0 Ų028.8 Ų28.80%014%0.137CC..Hα-helixtrans-71.6-13.7-177.972.10000114.8V600 V601 G603 R604 Q663 R667V600-S606 WeakPolarHBondContact O-CB 3.33Å; V601-S606 VanDerWaalsContact C-OG 3.31Å; V601-S606 VanDerWaalsContact O-CB 3.31Å; V601-S606 WeakPolarHBondContact O-CB 3.18Å; V601-S606 PolarHBondContact O-OG 3.34Å; G603-S606 PolarHBondContact O-N 2.87Å; G603-S606 PolarHBondContact O-OG 3.04Å; R604-S606 VanDerWaalsContact C-N 3.27Å; R604-S606 PolarHBondContact O-N 2.95Å; S606-Q663 PolarHBondContact O-NE2 3.1Å; S606-R667 PolarHBondContact O-NE 3.22Å; S606-R667 PolarHBondContact O-NH2 3.43Å
607E74.2Confident85Confident51 Ų5130 Ų3024%0.23814%0.141CC..Hα-helixtrans-107.2-40.8-172-62-158.5138.700113.8R75 R604 V605 R667R75-E607 IonicContact CZ-OE1 3.99Å; R75-E607 IonicContact CZ-OE2 2.81Å; R75-E607 VanDerWaalsContact CZ-OE2 3.26Å; R75-E607 IonicContact NH1-OE1 3.36Å; R75-E607 PolarHBondContact NH1-OE1 3.24Å; R75-E607 IonicContact NH1-OE2 2.85Å; R75-E607 PolarHBondContact NH1-OE2 2.79Å; R75-E607 IonicContact NH2-OE1 3.55Å; R75-E607 PolarHBondContact NH2-OE1 3.48Å; R75-E607 IonicContact NH2-OE2 3.13Å; R75-E607 PolarHBondContact NH2-OE2 2.91Å; R604-E607 PolarHBondContact O-N 3.31Å; V605-E607 VanDerWaalsContact C-N 3.25Å; V605-E607 PolarHBondContact O-N 3.06Å; E607-R667 VanDerWaalsContact CA-NH2 3.3Å; E607-R667 PolarHBondContact O-NH2 2.96Å
608G67.5Low85Confident27 Ų2729.9 Ų29.928%0.27814%0.141SC..Hα-helixtrans-117.3-4-169.700000115.9R604R604-G608 PolarHBondContact O-N 3.14Å
609I78.2Confident85Confident39 Ų3929.9 Ų29.920%0.214%0.141CC..  trans-111.3132-170.4-52.9-173.5000110.6L582 V605 F611 R667L582-I609 HydrophobicContact CD1-CD1 3.05Å; L582-I609 HydrophobicContact CD2-CD1 3.63Å; L582-I609 HydrophobicContact CD2-CG2 4.48Å; L582-I609 HydrophobicContact CG-CD1 3.92Å; V605-I609 HydrophobicContact CB-CD1 4.47Å; V605-I609 HydrophobicContact CG1-CD1 4.43Å; V605-I609 HydrophobicContact CG2-CD1 4.35Å; I609-F611 HydrophobicContact CG2-CE1 4.44Å; I609-R667 WeakPolarHBondContact O-CD 3.49Å; I609-R667 PolarHBondContact O-NH1 3.29Å
610D77.2Confident85Confident29 Ų2929.9 Ų29.916%0.15514%0.141CC..  trans-102124.2179.4-65.9-24.5000109.8K82 D612 R667 R670K82-D610 IonicContact NZ-OD2 3.62Å; K82-D610 PolarHBondContact NZ-OD2 2.87Å; D610-D612 PolarHBondContact O-N 3.21Å; D610-R667 IonicContact OD1-NH1 3.96Å; D610-R667 PolarHBondContact OD1-NH1 3.08Å; D610-R670 VanDerWaalsContact CA-NH2 3.31Å; D610-R670 IonicContact OD1-CZ 3.94Å; D610-R670 IonicContact OD1-NH1 2.68Å; D610-R670 PolarHBondContact OD1-NH1 3.42Å; D610-R670 IonicContact OD1-NH2 2.78Å; D610-R670 PolarHBondContact OD1-NH2 2.83Å; D610-R670 IonicContact OD2-CZ 2.74Å; D610-R670 IonicContact OD2-NH1 2.95Å; D610-R670 PolarHBondContact OD2-NH1 3.37Å
611F81.6Confident85.1Confident0 Ų029.7 Ų29.70%014%0.14CC..  trans-91.891.5175-60.2-68.9000108.8V537 F539 Y585 L597 V605 I609 L615 R667V537-F611 HydrophobicContact CB-CE2 4.46Å; V537-F611 HydrophobicContact CB-CZ 4.47Å; V537-F611 HydrophobicContact CG1-CE2 3.86Å; V537-F611 HydrophobicContact CG1-CZ 3.81Å; V537-F611 HydrophobicContact CG2-CD1 3.82Å; V537-F611 HydrophobicContact CG2-CD2 4.09Å; V537-F611 HydrophobicContact CG2-CE1 3.73Å; V537-F611 HydrophobicContact CG2-CE2 4.01Å; V537-F611 HydrophobicContact CG2-CG 4Å; V537-F611 HydrophobicContact CG2-CZ 3.83Å; F539-F611 HydrophobicContact CZ-CE2 4.09Å; Y585-F611 HydrophobicContact CE1-CD1 4.29Å; Y585-F611 HydrophobicContact CE1-CE1 4.28Å; L597-F611 HydrophobicContact CD2-CE1 3.81Å; L597-F611 HydrophobicContact CD2-CZ 3.86Å; V605-F611 HydrophobicContact CG1-CE2 4.34Å; V605-F611 HydrophobicContact CG1-CZ 3.6Å; I609-F611 HydrophobicContact CG2-CE1 4.44Å; F611-L615 HydrophobicContact CB-CB 4.37Å; F611-R667 HydrophobicContact CD2-CB 4.05Å
612D79.7Confident85.3Confident68 Ų6829.7 Ų29.736%0.36414%0.14SC..  trans-79.2125.7-177.8-63.1-10.2000111.2D610 H614 L615 R670D610-D612 PolarHBondContact O-N 3.21Å; D612-H614 PolarHBondContact O-N 2.88Å; D612-H614 VanDerWaalsContact O-N 3.14Å; D612-L615 HydrophobicContact CB-CD1 4.3Å; D612-L615 VanDerWaalsContact O-CB 3.31Å; D612-L615 WeakPolarHBondContact O-CB 3.05Å; D612-L615 VanDerWaalsContact O-CG 3.31Å; D612-L615 WeakPolarHBondContact O-CG 3.12Å; D612-L615 PolarHBondContact O-N 3.25Å; D612-L615 VanDerWaalsContact O-N 3.11Å; D612-R670 WeakPolarHBondContact OD1-CD 3.3Å; D612-R670 VanDerWaalsContact OD1-CG 3.28Å; D612-R670 WeakPolarHBondContact OD1-CG 3.42Å; D612-R670 IonicContact OD1-NE 3.78Å
613H84.2Confident85.6Confident79 Ų7925.5 Ų25.537%0.36612%0.124SC..G310 helixtrans53-112.7171.2-57.484.2000115.1L615 G616 D674H613-L615 PolarHBondContact O-N 3.33Å; H613-G616 PolarHBondContact O-N 2.88Å; H613-D674 WeakPolarHBondContact CA-OD1 3.29Å; H613-D674 WeakPolarHBondContact CA-OD2 3.4Å; H613-D674 IonicContact CD2-OD1 2.82Å; H613-D674 PolarHBondContact N-OD2 2.94Å
614H89.8Confident86.1Confident59 Ų5925.4 Ų25.427%0.27312%0.123SC..G310 helixtrans-67.7-15.6-175.666.193000113.2D534 G535 D612 G616D534-H614 HydrophobicContact CB-CB 4.03Å; D534-H614 WeakPolarHBondContact CB-O 3.21Å; D534-H614 WeakPolarHBondContact OD2-CB 3.3Å; G535-H614 PolarHBondContact N-O 3.43Å; G535-H614 VanDerWaalsContact N-O 3.11Å; D612-H614 PolarHBondContact O-N 2.88Å; D612-H614 VanDerWaalsContact O-N 3.14Å; H614-G616 PolarHBondContact O-N 3.39Å
615L90.3Very high86.7Confident11 Ų1118.5 Ų18.56%0.05810%0.097CC..G310 helixtrans-69.1-17.9176.3-61.1170.5000112.8Y585 H586 C589 F611 D612 H613Y585-L615 WeakPolarHBondContact CE1-O 3.25Å; Y585-L615 PolarHBondContact OH-O 3.48Å; H586-L615 HydrophobicContact CB-CD2 4.49Å; H586-L615 WeakPolarHBondContact CE1-CD1 3.47Å; H586-L615 VanDerWaalsContact ND1-CD1 3.26Å; H586-L615 WeakPolarHBondContact ND1-CD1 3.42Å; H586-L615 WeakPolarHBondContact ND1-CD2 3.36Å; C589-L615 HydrophobicContact CB-CD2 3.77Å; F611-L615 HydrophobicContact CB-CB 4.37Å; D612-L615 HydrophobicContact CB-CD1 4.3Å; D612-L615 VanDerWaalsContact O-CB 3.31Å; D612-L615 WeakPolarHBondContact O-CB 3.05Å; D612-L615 VanDerWaalsContact O-CG 3.31Å; D612-L615 WeakPolarHBondContact O-CG 3.12Å; D612-L615 PolarHBondContact O-N 3.25Å; D612-L615 VanDerWaalsContact O-N 3.11Å; H613-L615 PolarHBondContact O-N 3.33Å
616G87.8Confident87Confident0 Ų020.7 Ų20.70%011%0.105CC..G310 helixtrans-142.843.4-172.400000114.1H613 H614 C618H613-G616 PolarHBondContact O-N 2.88Å; H614-G616 PolarHBondContact O-N 3.39Å; G616-C618 VanDerWaalsContact C-N 3.25Å; G616-C618 PolarHBondContact O-N 2.98Å
617R92.5Very high87Confident24 Ų2422.2 Ų22.29%0.09111%0.114CC..SBendtrans-62.4-30.4-175.7-68.4-58-172.1-156.9-8.2113.9V532 P533 D534 G535 D674 Y675 G676 I677V532-R617 HydrophobicContact CG1-CB 3.74Å; P533-R617 HydrophobicContact CG-CG 4.48Å; D534-R617 HydrophobicContact CB-CG 4.46Å; G535-R617 PolarHBondContact O-N 3.15Å; R617-D674 IonicContact CZ-OD1 2.78Å; R617-D674 IonicContact NH1-OD1 3Å; R617-D674 PolarHBondContact NH1-OD1 3.06Å; R617-Y675 PolarHBondContact NH1-O 3.29Å; R617-G676 WeakPolarHBondContact O-CA 3.33Å; R617-I677 PolarHBondContact O-N 3.2Å
618C94.3Very high87.2Confident0 Ų025 Ų250%012%0.123CC..EExtended strand (participates in β ladder)trans-134124.8170.5-176.50000110.3V532 G535 I536 V537 G616 I677V532-C618 HydrophobicContact CB-CB 4.29Å; V532-C618 HydrophobicContact CG1-CB 3.65Å; V532-C618 HydrophobicContact CG2-CB 3.82Å; G535-C618 PolarHBondContact O-N 3.47Å; I536-C618 WeakPolarHBondContact CA-O 3.38Å; I536-C618 HydrophobicContact CG1-CB 4.32Å; I536-C618 HydrophobicContact CG2-CB 4.45Å; V537-C618 PolarHBondContact N-O 3.14Å; G616-C618 VanDerWaalsContact C-N 3.25Å; G616-C618 PolarHBondContact O-N 2.98Å; C618-I677 CarbonylContact C-O 3.53Å; C618-I677 WeakPolarHBondContact CA-O 3.13Å; C618-I677 HydrophobicContact CB-CB 4.29Å
619V94.6Very high87.5Confident0 Ų027.3 Ų27.30%013%0.132CC..EExtended strand (participates in β ladder)trans-107.3121.3170.6178.50000108.8V537 F539 L665 A668 I677 I679V537-V619 HydrophobicContact CB-CG2 4.39Å; V537-V619 CarbonylContact O-C 3.59Å; V537-V619 VanDerWaalsContact O-CA 3.31Å; V537-V619 WeakPolarHBondContact O-CA 3.28Å; F539-V619 HydrophobicContact CD2-CG1 3.7Å; F539-V619 HydrophobicContact CE2-CG1 3.58Å; V619-L665 HydrophobicContact CG1-CD2 4.11Å; V619-A668 HydrophobicContact CB-CB 4.28Å; V619-A668 HydrophobicContact CG2-CB 3.52Å; V619-I677 PolarHBondContact N-O 3.48Å; V619-I679 PolarHBondContact O-N 3.39Å
620I95.7Very high87.3Confident0 Ų031.3 Ų31.30%015%0.15CC..EExtended strand (participates in β ladder)trans-109.3125.5-179.8-53.3167.8000108.1L525 L528 I536 V537 A538 F539 F622 I679 A681L525-I620 HydrophobicContact CD1-CD1 3.69Å; L528-I620 HydrophobicContact CD1-CD1 3.45Å; L528-I620 VanDerWaalsContact CD1-CD1 3.45Å; L528-I620 HydrophobicContact CD1-CG1 4.02Å; I536-I620 HydrophobicContact CG2-CD1 3.66Å; I536-I620 HydrophobicContact CG2-CG1 4.2Å; V537-I620 PolarHBondContact O-N 2.75Å; A538-I620 CarbonylContact C-O 3.6Å; A538-I620 WeakPolarHBondContact CA-O 3.43Å; A538-I620 HydrophobicContact CB-CB 4.25Å; F539-I620 PolarHBondContact N-O 3.34Å; I620-F622 HydrophobicContact CG2-CD1 3.96Å; I620-F622 HydrophobicContact CG2-CD2 4.38Å; I620-F622 HydrophobicContact CG2-CE1 3.7Å; I620-F622 HydrophobicContact CG2-CE2 4.17Å; I620-F622 HydrophobicContact CG2-CG 4.3Å; I620-F622 HydrophobicContact CG2-CZ 3.81Å; I620-I679 HydrophobicContact CG1-CB 4.41Å; I620-I679 HydrophobicContact CG2-CB 4.47Å; I620-I679 HydrophobicContact CG2-CG2 4.45Å; I620-A681 HydrophobicContact CG2-CB 4.43Å
621M95.6Very high87.6Confident0 Ų031.2 Ų31.20%015%0.152CC..EExtended strand (participates in β ladder)trans-103.698.9173.6-174.562.8-83.200109.1F539 V601 G623 A661 L665 I679 L680 A681 Y685F539-M621 HydrophobicContact CB-CE 3.58Å; F539-M621 HydrophobicContact CB-SD 4.01Å; F539-M621 WeakPolarHBondContact O-CE 3.44Å; V601-M621 HydrophobicContact CG2-CE 3.29Å; V601-M621 HydrophobicContact CG2-SD 3.37Å; V601-M621 WeakPolarHBondContact CG2-SD 3.28Å; M621-G623 PolarHBondContact O-N 3.39Å; M621-A661 HydrophobicContact CG-CB 4.38Å; M621-A661 HydrophobicContact SD-CB 4.39Å; M621-L665 HydrophobicContact CB-CD2 4.48Å; M621-I679 PolarHBondContact N-O 2.89Å; M621-L680 HydrophobicContact CB-CD2 3.92Å; M621-L680 HydrophobicContact CG-CD2 4.11Å; M621-A681 PolarHBondContact O-N 2.6Å; M621-Y685 HydrophobicContact CG-CE2 4.5Å; M621-Y685 WeakPolarHBondContact CG-OH 3.48Å
622F94.7Very high87.8Confident0 Ų035 Ų350%017%0.166CC..EExtended strand (participates in β ladder)trans-76.6113.9176.5-69.5-58.3000111.1Y521 L524 L525 A538 F539 F540 P541 W553 I620 A681Y521-F622 AromaticContact CD1-CD1 3.3Å; Y521-F622 HydrophobicContact CD1-CD1 3.3Å; Y521-F622 AromaticContact CD1-CE1 3.65Å; Y521-F622 HydrophobicContact CD1-CE1 3.65Å; Y521-F622 HydrophobicContact CD1-CG 4.38Å; Y521-F622 AromaticContact CE1-CD1 3.87Å; Y521-F622 HydrophobicContact CE1-CD1 3.87Å; Y521-F622 AromaticContact CG-CD1 3.84Å; Y521-F622 HydrophobicContact CG-CD1 3.84Å; Y521-F622 HydrophobicContact CG-CE1 4.07Å; L524-F622 HydrophobicContact CD2-CE1 4.21Å; L525-F622 HydrophobicContact CB-CZ 4.25Å; A538-F622 HydrophobicContact CB-CD2 4.14Å; A538-F622 HydrophobicContact CB-CE2 3.62Å; F539-F622 WeakPolarHBondContact O-CB 3.46Å; F539-F622 PolarHBondContact O-N 2.99Å; F540-F622 HydrophobicContact CD1-CB 4.37Å; F540-F622 HydrophobicContact CD1-CD2 4.25Å; F540-F622 HydrophobicContact CD2-CD2 4.05Å; F540-F622 HydrophobicContact CE1-CB 4.48Å; F540-F622 AromaticContact CE1-CD2 3.8Å; F540-F622 HydrophobicContact CE1-CD2 3.8Å; F540-F622 HydrophobicContact CE1-CE2 4.35Å; F540-F622 HydrophobicContact CE1-CG 4.36Å; F540-F622 AromaticContact CE2-CD2 3.58Å; F540-F622 HydrophobicContact CE2-CD2 3.58Å; F540-F622 AromaticContact CE2-CE2 3.85Å; F540-F622 HydrophobicContact CE2-CE2 3.85Å; F540-F622 HydrophobicContact CG-CD2 4.37Å; F540-F622 AromaticContact CZ-CD2 3.46Å; F540-F622 HydrophobicContact CZ-CD2 3.46Å; F540-F622 VanDerWaalsContact CZ-CD2 3.46Å; F540-F622 AromaticContact CZ-CE2 3.65Å; F540-F622 HydrophobicContact CZ-CE2 3.65Å; F540-F622 HydrophobicContact CZ-CG 4.41Å; P541-F622 WeakPolarHBondContact CD-O 3.18Å; W553-F622 HydrophobicContact CH2-CE2 4.15Å; W553-F622 HydrophobicContact CH2-CZ 4.22Å; I620-F622 HydrophobicContact CG2-CD1 3.96Å; I620-F622 HydrophobicContact CG2-CD2 4.38Å; I620-F622 HydrophobicContact CG2-CE1 3.7Å; I620-F622 HydrophobicContact CG2-CE2 4.17Å; I620-F622 HydrophobicContact CG2-CG 4.3Å; I620-F622 HydrophobicContact CG2-CZ 3.81Å; F622-A681 HydrophobicContact CD1-CB 3.99Å; F622-A681 HydrophobicContact CE1-CB 4.47Å
623G92.7Very high88.3Confident0 Ų033.3 Ų33.30%016%0.157CC..SBendtrans69.7177.3179.700000114.6T507 M621 A681 D682 Y685T507-G623 VanDerWaalsContact CG2-CA 3.48Å; T507-G623 WeakPolarHBondContact OG1-CA 3.36Å; M621-G623 PolarHBondContact O-N 3.39Å; G623-A681 PolarHBondContact N-O 3.36Å; G623-D682 WeakPolarHBondContact CA-OD2 3.23Å; G623-Y685 WeakPolarHBondContact O-CE2 3.43Å; G623-Y685 PolarHBondContact O-OH 3.02Å
624V92.5Very high88.5Confident0 Ų030.4 Ų30.40%014%0.143CC..  trans-92.1126.8174.7-178.20000109.7Y626 A657 M658 D682 R684 Y685V624-Y626 HydrophobicContact CB-CD2 3.87Å; V624-Y626 HydrophobicContact CB-CE2 3.64Å; V624-Y626 HydrophobicContact CG1-CD1 4.28Å; V624-Y626 HydrophobicContact CG1-CD2 3.68Å; V624-Y626 HydrophobicContact CG1-CE1 4Å; V624-Y626 HydrophobicContact CG1-CE2 3.38Å; V624-Y626 HydrophobicContact CG1-CG 4.15Å; V624-Y626 HydrophobicContact CG2-CE2 4.4Å; V624-Y626 PolarHBondContact O-N 3.14Å; V624-A657 HydrophobicContact CG1-CB 3.8Å; V624-M658 HydrophobicContact CG1-CE 3.57Å; V624-D682 HydrophobicContact CG2-CB 4.33Å; V624-R684 HydrophobicContact CG2-CB 3.96Å; V624-Y685 HydrophobicContact CG2-CD2 4.14Å; V624-Y685 HydrophobicContact CG2-CE1 4.39Å; V624-Y685 HydrophobicContact CG2-CE2 3.72Å
625P91.5Very high88.5Confident1 Ų133.7 Ų33.71%0.00616%0.157CC..  trans-80.561.6-174.234.6-38.3000112.7V601 R602 A657 A661 Y685V601-P625 HydrophobicContact CB-CB 3.87Å; V601-P625 HydrophobicContact CG1-CB 3.56Å; V601-P625 HydrophobicContact CG1-CG 3.89Å; V601-P625 HydrophobicContact CG2-CB 3.92Å; V601-P625 HydrophobicContact CG2-CG 4.45Å; R602-P625 PolarHBondContact NH2-O 3.15Å; P625-A657 VanDerWaalsContact CG-O 3.27Å; P625-A657 WeakPolarHBondContact CG-O 3.48Å; P625-A661 HydrophobicContact CG-CB 3.99Å; P625-Y685 VanDerWaalsContact CD-OH 3.3Å; P625-Y685 WeakPolarHBondContact CD-OH 3.45Å
626Y89.8Confident88.6Confident47 Ų4733.7 Ų33.718%0.18416%0.158CC..  trans-65.8136.7173.5-71.8-61000111.2V624 I653 A657 K690V624-Y626 HydrophobicContact CB-CD2 3.87Å; V624-Y626 HydrophobicContact CB-CE2 3.64Å; V624-Y626 HydrophobicContact CG1-CD1 4.28Å; V624-Y626 HydrophobicContact CG1-CD2 3.68Å; V624-Y626 HydrophobicContact CG1-CE1 4Å; V624-Y626 HydrophobicContact CG1-CE2 3.38Å; V624-Y626 HydrophobicContact CG1-CG 4.15Å; V624-Y626 HydrophobicContact CG2-CE2 4.4Å; V624-Y626 PolarHBondContact O-N 3.14Å; Y626-I653 HydrophobicContact CD1-CG2 3.42Å; Y626-I653 VanDerWaalsContact CD1-CG2 3.42Å; Y626-I653 HydrophobicContact CE1-CG2 3.52Å; Y626-A657 HydrophobicContact CD1-CB 3.73Å; Y626-A657 HydrophobicContact CE1-CB 3.87Å; Y626-A657 HydrophobicContact CG-CB 4.45Å; Y626-K690 WeakPolarHBondContact OH-CE 3.42Å
627V83.1Confident88.8Confident31 Ų3134.4 Ų34.419%0.18816%0.161CC..  trans-55.5152.1161.7-161.90000108.4T629 F634 D656V627-T629 PolarHBondContact O-N 3.39Å; V627-F634 HydrophobicContact CB-CD1 4.35Å; V627-F634 HydrophobicContact CB-CD2 4.42Å; V627-F634 HydrophobicContact CB-CE1 4.13Å; V627-F634 HydrophobicContact CB-CE2 4.23Å; V627-F634 HydrophobicContact CB-CG 4.47Å; V627-F634 HydrophobicContact CB-CZ 4.09Å; V627-F634 HydrophobicContact CG1-CD1 4.45Å; V627-F634 HydrophobicContact CG1-CD2 4.15Å; V627-F634 HydrophobicContact CG1-CE2 4.41Å; V627-F634 HydrophobicContact CG1-CG 4.17Å; V627-F634 HydrophobicContact CG2-CD2 4.23Å; V627-F634 HydrophobicContact CG2-CE1 4.24Å; V627-F634 HydrophobicContact CG2-CE2 3.68Å; V627-F634 HydrophobicContact CG2-CZ 3.69Å; V627-D656 WeakPolarHBondContact CG2-OD2 3.43Å
628Y78.5Confident88.7Confident109 Ų10934 Ų3443%0.42716%0.16SC..  trans-59.3103166.4-174.6-119.3000110.5E424 Q630 S631E424-Y628 WeakPolarHBondContact OE2-CE1 3.38Å; Y628-Q630 HydrophobicContact CD1-CB 4.27Å; Y628-Q630 HydrophobicContact CE1-CB 3.63Å; Y628-Q630 HydrophobicContact CE2-CB 4.08Å; Y628-Q630 HydrophobicContact CE2-CG 4.49Å; Y628-Q630 PolarHBondContact O-N 3.21Å; Y628-Q630 PolarHBondContact OH-OE1 3.23Å; Y628-S631 WeakPolarHBondContact O-CB 3.49Å; Y628-S631 PolarHBondContact O-N 2.87Å; Y628-S631 VanDerWaalsContact O-N 3.15Å
629T73.9Confident88.6Confident76 Ų7637.2 Ų37.247%0.46618%0.177SC..THydrogen-bonded Turntrans-70.8-15.5-172.3530000113.6V627 S631 I653V627-T629 PolarHBondContact O-N 3.39Å; T629-S631 VanDerWaalsContact C-N 3.34Å; T629-I653 HydrophobicContact CG2-CG2 4.47Å
630Q73.2Confident88.5Confident124 Ų12438.5 Ų38.558%0.57918%0.183SC*.THydrogen-bonded Turntrans-87-7.3176.8-63.8-179.5-8.100112.5Y628 R632Y628-Q630 HydrophobicContact CD1-CB 4.27Å; Y628-Q630 HydrophobicContact CE1-CB 3.63Å; Y628-Q630 HydrophobicContact CE2-CB 4.08Å; Y628-Q630 HydrophobicContact CE2-CG 4.49Å; Y628-Q630 PolarHBondContact O-N 3.21Å; Y628-Q630 PolarHBondContact OH-OE1 3.23Å; Q630-R632 PolarHBondContact O-N 3.38Å
631S83.8Confident88.3Confident27 Ų2738.7 Ų38.719%0.18918%0.184CC..  trans-59.2127.9172.9177.20000109.9Y628 T629 I633 F634 K635Y628-S631 WeakPolarHBondContact O-CB 3.49Å; Y628-S631 PolarHBondContact O-N 2.87Å; Y628-S631 VanDerWaalsContact O-N 3.15Å; T629-S631 VanDerWaalsContact C-N 3.34Å; S631-I633 VanDerWaalsContact C-N 3.33Å; S631-I633 PolarHBondContact O-N 3.39Å; S631-F634 PolarHBondContact O-N 2.92Å; S631-K635 PolarHBondContact O-N 2.94Å
632R86.6Confident88.2Confident79 Ų7946.1 Ų46.130%0.29821%0.212SC..Hα-helixtrans-66.2-36.5-176.7-59-168179.1110.3-1.9112.9V350 I418 E420 Q630 F634 K635 A636V350-R632 VanDerWaalsContact CG1-CZ 3.48Å; I418-R632 HydrophobicContact CD1-CB 4.24Å; I418-R632 HydrophobicContact CG2-CB 4.35Å; E420-R632 WeakPolarHBondContact OE1-CD 3.31Å; E420-R632 IonicContact OE1-CZ 3.77Å; E420-R632 IonicContact OE1-NE 3.42Å; E420-R632 IonicContact OE1-NH1 2.75Å; E420-R632 PolarHBondContact OE1-NH1 2.95Å; Q630-R632 PolarHBondContact O-N 3.38Å; R632-F634 VanDerWaalsContact C-N 3.31Å; R632-F634 PolarHBondContact O-N 3.41Å; R632-K635 PolarHBondContact O-N 3.43Å; R632-A636 WeakPolarHBondContact O-CB 3.47Å; R632-A636 PolarHBondContact O-N 3.01Å
633I89.2Confident88Confident32 Ų3253 Ų5316%0.16424%0.244CC..Hα-helixtrans-59.5-47.4175.2-61.2170.1000109.6I418 Y435 H437 M439 S631 A636 R637I418-I633 HydrophobicContact CD1-CB 4.48Å; I418-I633 HydrophobicContact CD1-CG1 3.98Å; Y435-I633 HydrophobicContact CD1-CD1 3.64Å; Y435-I633 HydrophobicContact CD2-CD1 4.34Å; Y435-I633 HydrophobicContact CE1-CD1 3.92Å; Y435-I633 HydrophobicContact CG-CD1 3.88Å; H437-I633 HydrophobicContact CB-CG2 4.43Å; H437-I633 WeakPolarHBondContact CD2-CG2 3.32Å; H437-I633 WeakPolarHBondContact NE2-CG2 3.44Å; M439-I633 HydrophobicContact CE-CG2 4.47Å; S631-I633 VanDerWaalsContact C-N 3.33Å; S631-I633 PolarHBondContact O-N 3.39Å; I633-A636 PolarHBondContact O-N 2.99Å; I633-R637 PolarHBondContact O-N 3.13Å
634F89.2Confident87.8Confident19 Ų1958.7 Ų58.78%0.08327%0.271CS..Hα-helixtrans-67.2-40.6-179.1-169-113.4000111.8V627 S631 R632 R637 L638 F652 I653V627-F634 HydrophobicContact CB-CD1 4.35Å; V627-F634 HydrophobicContact CB-CD2 4.42Å; V627-F634 HydrophobicContact CB-CE1 4.13Å; V627-F634 HydrophobicContact CB-CE2 4.23Å; V627-F634 HydrophobicContact CB-CG 4.47Å; V627-F634 HydrophobicContact CB-CZ 4.09Å; V627-F634 HydrophobicContact CG1-CD1 4.45Å; V627-F634 HydrophobicContact CG1-CD2 4.15Å; V627-F634 HydrophobicContact CG1-CE2 4.41Å; V627-F634 HydrophobicContact CG1-CG 4.17Å; V627-F634 HydrophobicContact CG2-CD2 4.23Å; V627-F634 HydrophobicContact CG2-CE1 4.24Å; V627-F634 HydrophobicContact CG2-CE2 3.68Å; V627-F634 HydrophobicContact CG2-CZ 3.69Å; S631-F634 PolarHBondContact O-N 2.92Å; R632-F634 VanDerWaalsContact C-N 3.31Å; R632-F634 PolarHBondContact O-N 3.41Å; F634-R637 WeakPolarHBondContact O-CB 3.45Å; F634-R637 PolarHBondContact O-N 3.49Å; F634-L638 HydrophobicContact CD1-CD1 3.92Å; F634-L638 HydrophobicContact CD1-CG 4.38Å; F634-L638 HydrophobicContact CE1-CD1 3.78Å; F634-L638 HydrophobicContact CE1-CD2 4.35Å; F634-L638 HydrophobicContact CE1-CG 4.21Å; F634-L638 HydrophobicContact CZ-CD1 4.48Å; F634-L638 HydrophobicContact CZ-CD2 4.25Å; F634-L638 HydrophobicContact CZ-CG 4.48Å; F634-L638 VanDerWaalsContact O-CG 3.32Å; F634-L638 WeakPolarHBondContact O-CG 3.49Å; F634-L638 PolarHBondContact O-N 3.48Å; F634-F652 HydrophobicContact CE2-CD1 4.25Å; F634-F652 AromaticContact CE2-CE1 3.82Å; F634-F652 HydrophobicContact CE2-CE1 3.82Å; F634-F652 HydrophobicContact CZ-CD1 4.22Å; F634-F652 HydrophobicContact CZ-CE1 4.23Å; F634-I653 HydrophobicContact CE1-CG1 3.85Å; F634-I653 HydrophobicContact CZ-CG1 4.08Å
635K90.2Very high87.7Confident128 Ų12860.9 Ų60.956%0.55728%0.28SS*.Hα-helixtrans-60.3-47.9174.2-174178.2177-176.50112.1S631 R632 R637 L638 D639S631-K635 PolarHBondContact O-N 2.94Å; R632-K635 PolarHBondContact O-N 3.43Å; K635-R637 VanDerWaalsContact C-N 3.25Å; K635-R637 PolarHBondContact O-N 2.97Å; K635-L638 WeakPolarHBondContact O-CB 3.43Å; K635-L638 PolarHBondContact O-N 3.3Å; K635-L638 VanDerWaalsContact O-N 3.1Å; K635-D639 PolarHBondContact O-N 3.28Å
636A90.9Very high87.6Confident11 Ų1167.7 Ų67.79%0.09132%0.316CS..Hα-helixtrans-60-36.717700000112I418 M439 R632 I633 D639 F640I418-A636 HydrophobicContact CD1-CB 4.35Å; M439-A636 HydrophobicContact CE-CB 3.56Å; M439-A636 HydrophobicContact SD-CB 4.46Å; R632-A636 WeakPolarHBondContact O-CB 3.47Å; R632-A636 PolarHBondContact O-N 3.01Å; I633-A636 PolarHBondContact O-N 2.99Å; A636-D639 PolarHBondContact O-N 3.26Å; A636-F640 WeakPolarHBondContact O-CB 3.43Å; A636-F640 PolarHBondContact O-N 3.22Å
637R91.8Very high87.6Confident15 Ų1565.5 Ų65.56%0.05731%0.308CS..Hα-helixtrans-65.3-42.9173.3-172.6172.1177.5-176.8-6.2112.5D241 N242 M439 I633 F634 K635 D639 F640 L641D241-R637 IonicContact OD2-CZ 3.74Å; D241-R637 IonicContact OD2-NH1 3.97Å; D241-R637 IonicContact OD2-NH2 3.26Å; D241-R637 PolarHBondContact OD2-NH2 3.24Å; N242-R637 PolarHBondContact OD1-NH1 2.87Å; N242-R637 VanDerWaalsContact OD1-NH1 3.14Å; M439-R637 VanDerWaalsContact SD-CA 3.58Å; M439-R637 HydrophobicContact SD-CB 3.65Å; M439-R637 HydrophobicContact SD-CG 4.28Å; I633-R637 PolarHBondContact O-N 3.13Å; F634-R637 WeakPolarHBondContact O-CB 3.45Å; F634-R637 PolarHBondContact O-N 3.49Å; K635-R637 VanDerWaalsContact C-N 3.25Å; K635-R637 PolarHBondContact O-N 2.97Å; R637-D639 VanDerWaalsContact C-N 3.33Å; R637-F640 PolarHBondContact O-N 2.85Å; R637-L641 HydrophobicContact CG-CD1 4.25Å; R637-L641 HydrophobicContact CG-CG 4.43Å; R637-L641 WeakPolarHBondContact O-CG 3.48Å; R637-L641 PolarHBondContact O-N 2.81Å
638L92Very high88Confident15 Ų1573 Ų738%0.07933%0.332CS..Hα-helixtrans-62.5-41.6177.1-68.2171.5000111.8F634 K635 R642 P649 F652 I653F634-L638 HydrophobicContact CD1-CD1 3.92Å; F634-L638 HydrophobicContact CD1-CG 4.38Å; F634-L638 HydrophobicContact CE1-CD1 3.78Å; F634-L638 HydrophobicContact CE1-CD2 4.35Å; F634-L638 HydrophobicContact CE1-CG 4.21Å; F634-L638 HydrophobicContact CZ-CD1 4.48Å; F634-L638 HydrophobicContact CZ-CD2 4.25Å; F634-L638 HydrophobicContact CZ-CG 4.48Å; F634-L638 VanDerWaalsContact O-CG 3.32Å; F634-L638 WeakPolarHBondContact O-CG 3.49Å; F634-L638 PolarHBondContact O-N 3.48Å; K635-L638 WeakPolarHBondContact O-CB 3.43Å; K635-L638 PolarHBondContact O-N 3.3Å; K635-L638 VanDerWaalsContact O-N 3.1Å; L638-R642 WeakPolarHBondContact O-CB 3.47Å; L638-R642 PolarHBondContact O-N 3.45Å; L638-P649 HydrophobicContact CB-CB 4.24Å; L638-P649 HydrophobicContact CD1-CB 4.43Å; L638-P649 HydrophobicContact CD2-CB 4.27Å; L638-F652 HydrophobicContact CD2-CB 4.05Å; L638-F652 HydrophobicContact CD2-CD1 3.6Å; L638-F652 HydrophobicContact CD2-CG 4.24Å; L638-I653 HydrophobicContact CD1-CD1 3.84Å; L638-I653 HydrophobicContact CD1-CG1 4.01Å; L638-I653 HydrophobicContact CD2-CD1 4.46Å; L638-I653 HydrophobicContact CD2-CG1 3.93Å
639D91.6Very high88.6Confident67 Ų6769.7 Ų69.736%0.35832%0.324SS..Hα-helixtrans-64.5-43.2177-67.7-28000110.5K635 A636 R637 R642 E643K635-D639 PolarHBondContact O-N 3.28Å; A636-D639 PolarHBondContact O-N 3.26Å; R637-D639 VanDerWaalsContact C-N 3.33Å; D639-R642 WeakPolarHBondContact O-CB 3.49Å; D639-R642 PolarHBondContact O-N 2.94Å; D639-E643 WeakPolarHBondContact O-CG 3.4Å; D639-E643 PolarHBondContact O-N 3.38Å
640F92Very high89.4Confident28 Ų2872 Ų7212%0.12333%0.333CS..Hα-helixtrans-60.6-48.4175.2179.8-98.8000113.2M439 D440 A636 R637 R642 E643 Q644 Y645M439-F640 HydrophobicContact CB-CB 3.94Å; M439-F640 HydrophobicContact CB-CD1 3.7Å; M439-F640 HydrophobicContact CB-CD2 4.19Å; M439-F640 HydrophobicContact CB-CE1 4.26Å; M439-F640 HydrophobicContact CB-CG 3.66Å; M439-F640 HydrophobicContact CG-CB 4.46Å; M439-F640 WeakPolarHBondContact O-CD1 3.4Å; D440-F640 HydrophobicContact CB-CE1 3.69Å; D440-F640 HydrophobicContact CB-CZ 3.62Å; A636-F640 WeakPolarHBondContact O-CB 3.43Å; A636-F640 PolarHBondContact O-N 3.22Å; R637-F640 PolarHBondContact O-N 2.85Å; F640-R642 VanDerWaalsContact C-N 3.25Å; F640-R642 PolarHBondContact O-N 2.92Å; F640-E643 PolarHBondContact O-N 2.78Å; F640-Q644 HydrophobicContact CD2-CG 3.92Å; F640-Q644 HydrophobicContact CE1-CG 4.27Å; F640-Q644 HydrophobicContact CE2-CG 3.46Å; F640-Q644 VanDerWaalsContact CE2-CG 3.46Å; F640-Q644 HydrophobicContact CG-CG 4.49Å; F640-Q644 HydrophobicContact CZ-CB 4.29Å; F640-Q644 HydrophobicContact CZ-CG 3.66Å; F640-Q644 PolarHBondContact O-N 2.91Å; F640-Y645 AromaticContact CE1-CE2 3.94Å; F640-Y645 HydrophobicContact CE1-CE2 3.94Å
641L91.8Very high90.2Very high3 Ų369 Ų692%0.01632%0.32CS..Hα-helixtrans-63.3-32.9179.2-71.3176.9000112.3R637 Y645 N646 V647 F652R637-L641 HydrophobicContact CG-CD1 4.25Å; R637-L641 HydrophobicContact CG-CG 4.43Å; R637-L641 WeakPolarHBondContact O-CG 3.48Å; R637-L641 PolarHBondContact O-N 2.81Å; L641-Y645 HydrophobicContact CD2-CD2 3.84Å; L641-Y645 HydrophobicContact CD2-CE2 4.37Å; L641-Y645 CarbonylContact O-C 3.53Å; L641-Y645 PolarHBondContact O-N 3.43Å; L641-N646 PolarHBondContact O-N 2.92Å; L641-V647 HydrophobicContact CB-CB 4.29Å; L641-V647 PolarHBondContact O-N 2.89Å; L641-V647 VanDerWaalsContact O-N 3.13Å; L641-F652 HydrophobicContact CD1-CB 4.42Å; L641-F652 HydrophobicContact CD1-CD1 3.92Å; L641-F652 HydrophobicContact CD1-CD2 3.57Å; L641-F652 HydrophobicContact CD1-CE1 4.02Å; L641-F652 HydrophobicContact CD1-CE2 3.7Å; L641-F652 HydrophobicContact CD1-CG 3.69Å; L641-F652 HydrophobicContact CD1-CZ 3.92Å
642R92.5Very high90.6Very high156 Ų15667.8 Ų67.859%0.58931%0.311SS*.Hα-helixtrans-67.8-45.3174.9179.1-174.3174.4-172.1-2.5111.7L638 D639 F640 N646 V647L638-R642 WeakPolarHBondContact O-CB 3.47Å; L638-R642 PolarHBondContact O-N 3.45Å; D639-R642 WeakPolarHBondContact O-CB 3.49Å; D639-R642 PolarHBondContact O-N 2.94Å; F640-R642 VanDerWaalsContact C-N 3.25Å; F640-R642 PolarHBondContact O-N 2.92Å; R642-N646 WeakPolarHBondContact O-CA 3.44Å; R642-N646 PolarHBondContact O-N 2.69Å; R642-V647 VanDerWaalsContact CA-O 3.31Å; R642-V647 WeakPolarHBondContact CA-O 3.49Å
643E91.5Very high90.8Very high145 Ų14565.2 Ų65.268%0.67830%0.303SS*.Hα-helixtrans-74.6-43.1-175.7-72.1178.4-178.400113.2D639 F640D639-E643 WeakPolarHBondContact O-CG 3.4Å; D639-E643 PolarHBondContact O-N 3.38Å; F640-E643 PolarHBondContact O-N 2.78Å
644Q89.2Confident90.9Very high120 Ų12064.2 Ų64.256%0.56130%0.298SS*.Hα-helixtrans-88.4-41.8-174.2-62.4-58.6-47.600113.1F640F640-Q644 HydrophobicContact CD2-CG 3.92Å; F640-Q644 HydrophobicContact CE1-CG 4.27Å; F640-Q644 HydrophobicContact CE2-CG 3.46Å; F640-Q644 VanDerWaalsContact CE2-CG 3.46Å; F640-Q644 HydrophobicContact CG-CG 4.49Å; F640-Q644 HydrophobicContact CZ-CB 4.29Å; F640-Q644 HydrophobicContact CZ-CG 3.66Å; F640-Q644 PolarHBondContact O-N 2.91Å
645Y89.3Confident91Very high46 Ų4663.3 Ų63.318%0.1829%0.294CS..Hα-helixtrans-112.45.6-171.3-59.6-68.6000113.7D440 S442 R470 D473 F640 L641 V647D440-Y645 PolarHBondContact OD1-OH 2.97Å; D440-Y645 VanDerWaalsContact OD1-OH 3.05Å; S442-Y645 PolarHBondContact OG-OH 3.28Å; R470-Y645 WeakPolarHBondContact O-CD1 3.34Å; D473-Y645 HydrophobicContact CB-CE1 4.09Å; F640-Y645 AromaticContact CE1-CE2 3.94Å; F640-Y645 HydrophobicContact CE1-CE2 3.94Å; L641-Y645 HydrophobicContact CD2-CD2 3.84Å; L641-Y645 HydrophobicContact CD2-CE2 4.37Å; L641-Y645 CarbonylContact O-C 3.53Å; L641-Y645 PolarHBondContact O-N 3.43Å; Y645-V647 PolarHBondContact O-N 3.41Å; Y645-V647 VanDerWaalsContact O-N 3.08Å
646N90.1Very high91.1Very high143 Ų14357.4 Ų57.477%0.76527%0.269SS*.  trans53.525.5-176.6-71.3-44.2000114.2L641 R642L641-N646 PolarHBondContact O-N 2.92Å; R642-N646 WeakPolarHBondContact O-CA 3.44Å; R642-N646 PolarHBondContact O-N 2.69Å
647V89.5Confident91.1Very high2 Ų257 Ų571%0.01227%0.265CS..  trans-81.7126.4178.1176.50000109.3M467 L641 R642 Y645 F652M467-V647 HydrophobicContact CE-CG1 3.76Å; M467-V647 HydrophobicContact CE-CG2 4.47Å; L641-V647 HydrophobicContact CB-CB 4.29Å; L641-V647 PolarHBondContact O-N 2.89Å; L641-V647 VanDerWaalsContact O-N 3.13Å; R642-V647 VanDerWaalsContact CA-O 3.31Å; R642-V647 WeakPolarHBondContact CA-O 3.49Å; Y645-V647 PolarHBondContact O-N 3.41Å; Y645-V647 VanDerWaalsContact O-N 3.08Å; V647-F652 HydrophobicContact CG1-CB 4.05Å
648R91.6Very high91.2Very high188 Ų18856.2 Ų56.271%0.70926%0.262SS*.  trans-70137.3179.8-66.1178.4178.4178.20.3110.3N650 E651 F652R648-N650 PolarHBondContact O-N 3.44Å; R648-E651 HydrophobicContact CB-CB 4.01Å; R648-E651 WeakPolarHBondContact O-CA 3.41Å; R648-E651 VanDerWaalsContact O-CB 3.26Å; R648-E651 WeakPolarHBondContact O-CB 3.37Å; R648-E651 PolarHBondContact O-N 3.43Å; R648-F652 PolarHBondContact O-N 2.98Å
649P90.8Very high91.1Very high39 Ų3955.6 Ų55.625%0.25326%0.259SS..Hα-helixtrans-54.5-46.7-179.1-30.335.8000113.9L638 E651 F652 I653L638-P649 HydrophobicContact CB-CB 4.24Å; L638-P649 HydrophobicContact CD1-CB 4.43Å; L638-P649 HydrophobicContact CD2-CB 4.27Å; P649-E651 PolarHBondContact O-N 2.94Å; P649-F652 PolarHBondContact O-N 2.67Å; P649-I653 WeakPolarHBondContact O-CD1 3.47Å; P649-I653 WeakPolarHBondContact O-CG1 3.4Å; P649-I653 PolarHBondContact O-N 2.91Å
650N89.7Confident91.1Very high124 Ų12452.7 Ų52.766%0.66324%0.243SC*.Hα-helixtrans-62.3-30.9178-73-19.5000113.2R648 T654R648-N650 PolarHBondContact O-N 3.44Å; N650-T654 WeakPolarHBondContact O-CB 3.28Å; N650-T654 PolarHBondContact O-N 3.4Å; N650-T654 VanDerWaalsContact O-N 3.14Å; N650-T654 PolarHBondContact O-OG1 3.46Å
651E90.8Very high91.1Very high63 Ų6351.3 Ų51.329%0.29424%0.237SC..Hα-helixtrans-69.3-46.6178.8-173.8180-178.600110.6R648 P649 T654 F655 K693R648-E651 HydrophobicContact CB-CB 4.01Å; R648-E651 WeakPolarHBondContact O-CA 3.41Å; R648-E651 VanDerWaalsContact O-CB 3.26Å; R648-E651 WeakPolarHBondContact O-CB 3.37Å; R648-E651 PolarHBondContact O-N 3.43Å; P649-E651 PolarHBondContact O-N 2.94Å; E651-T654 PolarHBondContact O-N 3.38Å; E651-F655 WeakPolarHBondContact O-CB 3.45Å; E651-F655 PolarHBondContact O-N 3.31Å; E651-K693 PolarHBondContact O-NZ 3.28Å
652F91.3Very high91.1Very high1 Ų151.2 Ų51.20%0.00424%0.237CC..Hα-helixtrans-65.6-43.9176.7-174.3-101.1000112.3M467 I471 F634 L638 L641 V647 R648 P649 T654 F655 D656M467-F652 HydrophobicContact CE-CD2 4.3Å; I471-F652 HydrophobicContact CD1-CD2 4.17Å; I471-F652 HydrophobicContact CD1-CE2 3.82Å; F634-F652 HydrophobicContact CE2-CD1 4.25Å; F634-F652 AromaticContact CE2-CE1 3.82Å; F634-F652 HydrophobicContact CE2-CE1 3.82Å; F634-F652 HydrophobicContact CZ-CD1 4.22Å; F634-F652 HydrophobicContact CZ-CE1 4.23Å; L638-F652 HydrophobicContact CD2-CB 4.05Å; L638-F652 HydrophobicContact CD2-CD1 3.6Å; L638-F652 HydrophobicContact CD2-CG 4.24Å; L641-F652 HydrophobicContact CD1-CB 4.42Å; L641-F652 HydrophobicContact CD1-CD1 3.92Å; L641-F652 HydrophobicContact CD1-CD2 3.57Å; L641-F652 HydrophobicContact CD1-CE1 4.02Å; L641-F652 HydrophobicContact CD1-CE2 3.7Å; L641-F652 HydrophobicContact CD1-CG 3.69Å; L641-F652 HydrophobicContact CD1-CZ 3.92Å; V647-F652 HydrophobicContact CG1-CB 4.05Å; R648-F652 PolarHBondContact O-N 2.98Å; P649-F652 PolarHBondContact O-N 2.67Å; F652-T654 PolarHBondContact O-N 3.42Å; F652-F655 HydrophobicContact CD2-CD1 4.07Å; F652-F655 HydrophobicContact CE2-CD1 4.11Å; F652-F655 HydrophobicContact CE2-CE1 4.43Å; F652-F655 WeakPolarHBondContact O-CB 3.45Å; F652-F655 PolarHBondContact O-N 2.94Å; F652-F655 VanDerWaalsContact O-N 3.14Å; F652-D656 PolarHBondContact O-N 3.25Å
653I92.1Very high90.9Very high25 Ų2544.1 Ų44.113%0.12821%0.21CC..Hα-helixtrans-56.7-42.9176.5-67166.6000111Y626 T629 F634 L638 P649 A657Y626-I653 HydrophobicContact CD1-CG2 3.42Å; Y626-I653 VanDerWaalsContact CD1-CG2 3.42Å; Y626-I653 HydrophobicContact CE1-CG2 3.52Å; T629-I653 HydrophobicContact CG2-CG2 4.47Å; F634-I653 HydrophobicContact CE1-CG1 3.85Å; F634-I653 HydrophobicContact CZ-CG1 4.08Å; L638-I653 HydrophobicContact CD1-CD1 3.84Å; L638-I653 HydrophobicContact CD1-CG1 4.01Å; L638-I653 HydrophobicContact CD2-CD1 4.46Å; L638-I653 HydrophobicContact CD2-CG1 3.93Å; P649-I653 WeakPolarHBondContact O-CD1 3.47Å; P649-I653 WeakPolarHBondContact O-CG1 3.4Å; P649-I653 PolarHBondContact O-N 2.91Å; I653-A657 WeakPolarHBondContact O-CB 3.21Å; I653-A657 PolarHBondContact O-N 3.42Å
654T91.7Very high90.8Very high11 Ų1137.3 Ų37.37%0.06718%0.178CC..Hα-helixtrans-72.9-39.3178.8-53.90000111.1N650 E651 F652 A657 M658 K690 K693N650-T654 WeakPolarHBondContact O-CB 3.28Å; N650-T654 PolarHBondContact O-N 3.4Å; N650-T654 VanDerWaalsContact O-N 3.14Å; N650-T654 PolarHBondContact O-OG1 3.46Å; E651-T654 PolarHBondContact O-N 3.38Å; F652-T654 PolarHBondContact O-N 3.42Å; T654-A657 PolarHBondContact O-N 2.91Å; T654-M658 HydrophobicContact CG2-CG 4.25Å; T654-M658 WeakPolarHBondContact O-CB 3.29Å; T654-M658 VanDerWaalsContact O-CG 3.23Å; T654-M658 WeakPolarHBondContact O-CG 3.44Å; T654-M658 PolarHBondContact O-N 2.88Å; T654-K690 HydrophobicContact CG2-CG 3.56Å; T654-K693 HydrophobicContact CG2-CD 3.86Å
655F91.3Very high90.8Very high0 Ų031.6 Ų31.60%015%0.152CC..Hα-helixtrans-58-52.8174.8166.2-108.9000111.4P464 M467 Y468 I471 E651 F652 A657 M658 R659P464-F655 HydrophobicContact CG-CD2 4.27Å; M467-F655 HydrophobicContact CB-CD2 4.12Å; M467-F655 HydrophobicContact CB-CE1 4.34Å; M467-F655 HydrophobicContact CB-CE2 3.78Å; M467-F655 HydrophobicContact CB-CZ 3.9Å; M467-F655 HydrophobicContact CE-CD1 4.33Å; M467-F655 HydrophobicContact CE-CG 4.36Å; M467-F655 HydrophobicContact CG-CD2 3.98Å; M467-F655 HydrophobicContact CG-CE2 4.16Å; M467-F655 HydrophobicContact CG-CG 4.27Å; Y468-F655 HydrophobicContact CE1-CZ 4.4Å; Y468-F655 HydrophobicContact CE2-CE2 4.14Å; Y468-F655 AromaticContact CE2-CZ 3.98Å; Y468-F655 HydrophobicContact CE2-CZ 3.98Å; Y468-F655 AromaticContact CZ-CZ 3.88Å; I471-F655 HydrophobicContact CD1-CD1 4.46Å; I471-F655 HydrophobicContact CD1-CE1 3.92Å; E651-F655 WeakPolarHBondContact O-CB 3.45Å; E651-F655 PolarHBondContact O-N 3.31Å; F652-F655 HydrophobicContact CD2-CD1 4.07Å; F652-F655 HydrophobicContact CE2-CD1 4.11Å; F652-F655 HydrophobicContact CE2-CE1 4.43Å; F652-F655 WeakPolarHBondContact O-CB 3.45Å; F652-F655 PolarHBondContact O-N 2.94Å; F652-F655 VanDerWaalsContact O-N 3.14Å; F655-A657 VanDerWaalsContact C-N 3.33Å; F655-A657 PolarHBondContact O-N 3.37Å; F655-M658 PolarHBondContact O-N 3.39Å; F655-R659 VanDerWaalsContact O-CB 3.31Å; F655-R659 WeakPolarHBondContact O-CB 3.39Å; F655-R659 PolarHBondContact O-N 2.96Å
656D91.3Very high90.5Very high4 Ų429.5 Ų29.52%0.02114%0.144CC..Hα-helixtrans-61-41.6-179.1-175.160.6000112.1R602 V627 F652 R659 H660R602-D656 IonicContact CZ-OD2 2.7Å; R602-D656 IonicContact NH1-OD2 3.29Å; R602-D656 IonicContact NH2-OD2 2.95Å; R602-D656 PolarHBondContact NH2-OD2 2.92Å; V627-D656 WeakPolarHBondContact CG2-OD2 3.43Å; F652-D656 PolarHBondContact O-N 3.25Å; D656-R659 IonicContact OD1-CZ 3.84Å; D656-R659 IonicContact OD1-NE 3.07Å; D656-R659 IonicContact OD1-NH2 3.23Å; D656-R659 PolarHBondContact OD1-NH2 3.36Å; D656-H660 PolarHBondContact O-N 3.29Å; D656-H660 PolarHBondContact O-ND1 3.26Å; D656-H660 IonicContact OD1-CE1 3.26Å; D656-H660 PolarHBondContact OD1-CE1 2.97Å; D656-H660 IonicContact OD1-ND1 3.7Å; D656-H660 PolarHBondContact OD1-ND1 3.29Å; D656-H660 IonicContact OD2-CE1 3.24Å; D656-H660 IonicContact OD2-ND1 2.87Å
657A92.2Very high90.1Very high1 Ų123.5 Ų23.51%0.00811%0.111CC..Hα-helixtrans-66.3-42.8176.700000112.7V624 P625 Y626 I653 T654 F655 A661V624-A657 HydrophobicContact CG1-CB 3.8Å; P625-A657 VanDerWaalsContact CG-O 3.27Å; P625-A657 WeakPolarHBondContact CG-O 3.48Å; Y626-A657 HydrophobicContact CD1-CB 3.73Å; Y626-A657 HydrophobicContact CE1-CB 3.87Å; Y626-A657 HydrophobicContact CG-CB 4.45Å; I653-A657 WeakPolarHBondContact O-CB 3.21Å; I653-A657 PolarHBondContact O-N 3.42Å; T654-A657 PolarHBondContact O-N 2.91Å; F655-A657 VanDerWaalsContact C-N 3.33Å; F655-A657 PolarHBondContact O-N 3.37Å; A657-A661 WeakPolarHBondContact O-CB 3.36Å; A657-A661 PolarHBondContact O-N 3.45Å; A657-A661 VanDerWaalsContact O-N 3.07Å
658M92.5Very high89.7Confident0 Ų023.4 Ų23.40%011%0.11CC..Hα-helixtrans-71.2-35.4-179.9-66.4-57.395.800112V624 T654 F655 A661 A662 Y685 K690 K693 L694V624-M658 HydrophobicContact CG1-CE 3.57Å; T654-M658 HydrophobicContact CG2-CG 4.25Å; T654-M658 WeakPolarHBondContact O-CB 3.29Å; T654-M658 VanDerWaalsContact O-CG 3.23Å; T654-M658 WeakPolarHBondContact O-CG 3.44Å; T654-M658 PolarHBondContact O-N 2.88Å; F655-M658 PolarHBondContact O-N 3.39Å; M658-A661 PolarHBondContact O-N 3.49Å; M658-A662 WeakPolarHBondContact O-CB 3.47Å; M658-A662 PolarHBondContact O-N 3.39Å; M658-Y685 HydrophobicContact CE-CD1 4.13Å; M658-Y685 HydrophobicContact CE-CE1 3.42Å; M658-Y685 VanDerWaalsContact CE-CE1 3.42Å; M658-Y685 HydrophobicContact SD-CD1 3.97Å; M658-Y685 HydrophobicContact SD-CE1 3.64Å; M658-K690 HydrophobicContact CE-CD 4.4Å; M658-K690 HydrophobicContact CE-CG 4.33Å; M658-K690 HydrophobicContact CG-CB 4.44Å; M658-K690 HydrophobicContact SD-CB 3.78Å; M658-K690 HydrophobicContact SD-CG 4.13Å; M658-K693 HydrophobicContact CB-CB 3.98Å; M658-K693 HydrophobicContact CG-CB 3.92Å; M658-L694 HydrophobicContact SD-CD2 4.36Å
659R91.1Very high89.3Confident1 Ų114.6 Ų14.60%0.0048%0.077CC..Hα-helixtrans-56.2-52.7173.7176.8176.268.6177.1-3.6111.9H238 N239 D241 N242 Y468 F655 D656 A662 Q663H238-R659 HydrophobicContact CB-CG 4.1Å; H238-R659 WeakPolarHBondContact O-CD 3.47Å; H238-R659 PolarHBondContact O-NH1 2.85Å; N239-R659 PolarHBondContact OD1-NE 2.93Å; D241-R659 IonicContact OD1-CZ 4Å; D241-R659 IonicContact OD1-NH1 2.84Å; D241-R659 PolarHBondContact OD1-NH1 2.92Å; D241-R659 IonicContact OD1-NH2 2.86Å; D241-R659 PolarHBondContact OD1-NH2 2.92Å; D241-R659 IonicContact OD2-NH1 3.74Å; D241-R659 PolarHBondContact OD2-NH1 2.9Å; D241-R659 IonicContact OD2-NH2 2.69Å; N242-R659 PolarHBondContact ND2-NH2 3.4Å; Y468-R659 WeakPolarHBondContact OH-CD 3.5Å; F655-R659 VanDerWaalsContact O-CB 3.31Å; F655-R659 WeakPolarHBondContact O-CB 3.39Å; F655-R659 PolarHBondContact O-N 2.96Å; D656-R659 IonicContact OD1-CZ 3.84Å; D656-R659 IonicContact OD1-NE 3.07Å; D656-R659 IonicContact OD1-NH2 3.23Å; D656-R659 PolarHBondContact OD1-NH2 3.36Å; R659-A662 PolarHBondContact O-N 3.31Å; R659-Q663 WeakPolarHBondContact O-CB 3.27Å; R659-Q663 PolarHBondContact O-N 3.29Å
660H91Very high88.8Confident6 Ų615.9 Ų15.93%0.0288%0.077CC..Hα-helixtrans-68.8-37.7179.9-69.590.5000112.6V601 D656 Q663 C664V601-H660 HydrophobicContact CG1-CB 3.52Å; D656-H660 PolarHBondContact O-N 3.29Å; D656-H660 PolarHBondContact O-ND1 3.26Å; D656-H660 IonicContact OD1-CE1 3.26Å; D656-H660 PolarHBondContact OD1-CE1 2.97Å; D656-H660 IonicContact OD1-ND1 3.7Å; D656-H660 PolarHBondContact OD1-ND1 3.29Å; D656-H660 IonicContact OD2-CE1 3.24Å; D656-H660 IonicContact OD2-ND1 2.87Å; H660-Q663 PolarHBondContact O-N 3.31Å; H660-C664 PolarHBondContact O-N 3.34Å; H660-C664 VanDerWaalsContact O-N 3.1Å; H660-C664 PolarHBondContact O-SG 2.98Å
661A92.3Very high88.3Confident0 Ų010.5 Ų10.50%05%0.051CC..Hα-helixtrans-61.4-47.6173.900000111M621 P625 A657 M658 Q663 C664 L665 Y685M621-A661 HydrophobicContact CG-CB 4.38Å; M621-A661 HydrophobicContact SD-CB 4.39Å; P625-A661 HydrophobicContact CG-CB 3.99Å; A657-A661 WeakPolarHBondContact O-CB 3.36Å; A657-A661 PolarHBondContact O-N 3.45Å; A657-A661 VanDerWaalsContact O-N 3.07Å; M658-A661 PolarHBondContact O-N 3.49Å; A661-Q663 VanDerWaalsContact C-N 3.32Å; A661-Q663 PolarHBondContact O-N 3.36Å; A661-C664 PolarHBondContact O-N 2.91Å; A661-L665 VanDerWaalsContact O-CG 3.29Å; A661-L665 WeakPolarHBondContact O-CG 3.23Å; A661-L665 PolarHBondContact O-N 3.48Å; A661-Y685 HydrophobicContact CB-CE1 4.48Å
662A90.7Very high87.8Confident1 Ų17.8 Ų7.81%0.0084%0.038CC..Hα-helixtrans-62-39.4177.800000112.1T461 M658 R659 L665 G666 P695T461-A662 HydrophobicContact CG2-CB 4.16Å; T461-A662 WeakPolarHBondContact CG2-O 3.41Å; M658-A662 WeakPolarHBondContact O-CB 3.47Å; M658-A662 PolarHBondContact O-N 3.39Å; R659-A662 PolarHBondContact O-N 3.31Å; A662-L665 PolarHBondContact O-N 2.93Å; A662-G666 PolarHBondContact O-N 3.23Å; A662-P695 VanDerWaalsContact CB-CD 3.49Å; A662-P695 HydrophobicContact CB-CG 3.72Å
663Q89Confident87.3Confident7 Ų711.3 Ų11.33%0.0336%0.063CC..Hα-helixtrans-58.4-48.2174.3-170.2-171.4-0.500111.7H238 S606 R659 H660 A661 G666 R667H238-Q663 PolarHBondContact CD2-OE1 3.41Å; H238-Q663 PolarHBondContact CE1-NE2 2.87Å; H238-Q663 PolarHBondContact NE2-NE2 3.15Å; H238-Q663 PolarHBondContact NE2-OE1 3.16Å; H238-Q663 VanDerWaalsContact NE2-OE1 3.14Å; S606-Q663 PolarHBondContact O-NE2 3.1Å; R659-Q663 WeakPolarHBondContact O-CB 3.27Å; R659-Q663 PolarHBondContact O-N 3.29Å; H660-Q663 PolarHBondContact O-N 3.31Å; A661-Q663 VanDerWaalsContact C-N 3.32Å; A661-Q663 PolarHBondContact O-N 3.36Å; Q663-G666 PolarHBondContact O-N 2.93Å; Q663-R667 WeakPolarHBondContact O-CG 3.33Å; Q663-R667 PolarHBondContact O-N 2.93Å
664C89.9Confident87.1Confident1 Ų110.1 Ų10.11%0.0076%0.057CC..Hα-helixtrans-63.2-44.3178.3-66.20000111.8F539 H660 A661 R667F539-C664 HydrophobicContact CD1-CB 4.28Å; F539-C664 HydrophobicContact CD2-CB 3.76Å; F539-C664 HydrophobicContact CE1-CB 4.24Å; F539-C664 HydrophobicContact CE2-CB 3.69Å; F539-C664 HydrophobicContact CG-CB 4.05Å; F539-C664 HydrophobicContact CZ-CB 3.94Å; H660-C664 PolarHBondContact O-N 3.34Å; H660-C664 VanDerWaalsContact O-N 3.1Å; H660-C664 PolarHBondContact O-SG 2.98Å; A661-C664 PolarHBondContact O-N 2.91Å; C664-R667 PolarHBondContact O-N 3.09Å
665L88.4Confident87Confident1 Ų111.6 Ų11.61%0.0056%0.061CC..Hα-helixtrans-63.1-43.4177-68.4178.5000111.9V619 M621 A661 A662 R667 A668 M678 L680 I698V619-L665 HydrophobicContact CG1-CD2 4.11Å; M621-L665 HydrophobicContact CB-CD2 4.48Å; A661-L665 VanDerWaalsContact O-CG 3.29Å; A661-L665 WeakPolarHBondContact O-CG 3.23Å; A661-L665 PolarHBondContact O-N 3.48Å; A662-L665 PolarHBondContact O-N 2.93Å; L665-R667 PolarHBondContact O-N 3.49Å; L665-A668 WeakPolarHBondContact O-CB 3.49Å; L665-A668 PolarHBondContact O-N 2.75Å; L665-A668 VanDerWaalsContact O-N 3.09Å; L665-M678 HydrophobicContact CB-SD 4.09Å; L665-M678 HydrophobicContact CD2-CB 3.95Å; L665-M678 HydrophobicContact CD2-CG 4.14Å; L665-M678 WeakPolarHBondContact O-CE 3.39Å; L665-L680 HydrophobicContact CD1-CD2 3.74Å; L665-L680 HydrophobicContact CD1-CG 4.24Å; L665-I698 HydrophobicContact CB-CD1 4.22Å; L665-I698 HydrophobicContact CD1-CD1 4.34Å
666G84.1Confident87.1Confident2 Ų211.6 Ų11.62%0.0216%0.061CC..Hα-helixtrans-63.2-12.2-178.600000114.6S44 A662 Q663 A668S44-G666 WeakPolarHBondContact CB-O 3.16Å; A662-G666 PolarHBondContact O-N 3.23Å; Q663-G666 PolarHBondContact O-N 2.93Å; G666-A668 VanDerWaalsContact C-N 3.33Å
667R80.5Confident87.2Confident16 Ų1611.4 Ų11.46%0.066%0.06CC..THydrogen-bonded Turntrans-78.2-15.8175.1-67.6-179.2-178.1-71.2-13114.1S606 E607 I609 D610 F611 Q663 C664 L665 I669S606-R667 PolarHBondContact O-NE 3.22Å; S606-R667 PolarHBondContact O-NH2 3.43Å; E607-R667 VanDerWaalsContact CA-NH2 3.3Å; E607-R667 PolarHBondContact O-NH2 2.96Å; I609-R667 WeakPolarHBondContact O-CD 3.49Å; I609-R667 PolarHBondContact O-NH1 3.29Å; D610-R667 IonicContact OD1-NH1 3.96Å; D610-R667 PolarHBondContact OD1-NH1 3.08Å; F611-R667 HydrophobicContact CD2-CB 4.05Å; Q663-R667 WeakPolarHBondContact O-CG 3.33Å; Q663-R667 PolarHBondContact O-N 2.93Å; C664-R667 PolarHBondContact O-N 3.09Å; L665-R667 PolarHBondContact O-N 3.49Å; R667-I669 PolarHBondContact O-N 3.22Å
668A80.8Confident87.3Confident0 Ų011.4 Ų11.40%06%0.06CC..THydrogen-bonded Turntrans-71-13.2-177.900000114V619 L665 G666 M678V619-A668 HydrophobicContact CB-CB 4.28Å; V619-A668 HydrophobicContact CG2-CB 3.52Å; L665-A668 WeakPolarHBondContact O-CB 3.49Å; L665-A668 PolarHBondContact O-N 2.75Å; L665-A668 VanDerWaalsContact O-N 3.09Å; G666-A668 VanDerWaalsContact C-N 3.33Å; A668-M678 HydrophobicContact CB-CE 3.95Å
669I83.4Confident87.4Confident3 Ų311.4 Ų11.42%0.0156%0.06CC..  trans-131126.3-174.5-58.1159.2000109.3V491 R667 M678 W697V491-I669 HydrophobicContact CB-CD1 4.03Å; V491-I669 HydrophobicContact CG1-CD1 3.79Å; V491-I669 HydrophobicContact CG2-CD1 3.13Å; V491-I669 HydrophobicContact CG2-CG1 4.27Å; R667-I669 PolarHBondContact O-N 3.22Å; I669-M678 HydrophobicContact CD1-CE 3.31Å; I669-M678 HydrophobicContact CG1-CE 3.88Å; I669-W697 HydrophobicContact CD1-CH2 4.12Å; I669-W697 HydrophobicContact CD1-CZ3 3.74Å
670R80.4Confident87.7Confident67 Ų6711.4 Ų11.425%0.2536%0.06SC..SBendtrans-116-10.7177.5-64-72.81591782.1114.7G45 D610 D612 D674G45-R670 VanDerWaalsContact CA-C 3.45Å; G45-R670 WeakPolarHBondContact CA-O 3.47Å; D610-R670 VanDerWaalsContact CA-NH2 3.31Å; D610-R670 IonicContact OD1-CZ 3.94Å; D610-R670 IonicContact OD1-NH1 2.68Å; D610-R670 PolarHBondContact OD1-NH1 3.42Å; D610-R670 IonicContact OD1-NH2 2.78Å; D610-R670 PolarHBondContact OD1-NH2 2.83Å; D610-R670 IonicContact OD2-CZ 2.74Å; D610-R670 IonicContact OD2-NH1 2.95Å; D610-R670 PolarHBondContact OD2-NH1 3.37Å; D612-R670 WeakPolarHBondContact OD1-CD 3.3Å; D612-R670 VanDerWaalsContact OD1-CG 3.28Å; D612-R670 WeakPolarHBondContact OD1-CG 3.42Å; D612-R670 IonicContact OD1-NE 3.78Å; R670-D674 PolarHBondContact N-OD2 3.42Å
671G80.6Confident87.9Confident10 Ų1011.1 Ų11.110%0.1036%0.059CC..SBendtrans-165.4170.3176.900000111.8S673 D674G671-S673 PolarHBondContact O-N 3.23Å; G671-D674 WeakPolarHBondContact O-CB 3.3Å; G671-D674 PolarHBondContact O-N 2.88Å; G671-D674 VanDerWaalsContact O-N 3.09Å
672K79.3Confident88Confident6 Ų611.1 Ų11.13%0.0266%0.059CC..THydrogen-bonded Turntrans-69.8-19.7178.8-61.2-164.2-176.9-170.40113.6Y18 E20 T485 C490 D674 A738Y18-K672 HydrophobicContact CD1-CD 3.81Å; Y18-K672 HydrophobicContact CE1-CD 3.61Å; Y18-K672 HydrophobicContact CE1-CG 4.04Å; Y18-K672 HydrophobicContact CE2-CG 4.41Å; Y18-K672 HydrophobicContact CG-CD 4.28Å; Y18-K672 VanDerWaalsContact CG-CE 3.49Å; E20-K672 VanDerWaalsContact CD-NZ 3.31Å; E20-K672 IonicContact OE1-NZ 3.26Å; E20-K672 PolarHBondContact OE1-NZ 3.48Å; E20-K672 WeakPolarHBondContact OE2-CE 3.13Å; E20-K672 IonicContact OE2-NZ 3.04Å; E20-K672 PolarHBondContact OE2-NZ 2.86Å; T485-K672 PolarHBondContact O-NZ 2.87Å; C490-K672 PolarHBondContact SG-O 2.72Å; K672-D674 VanDerWaalsContact C-N 3.31Å; K672-A738 HydrophobicContact CD-CB 3.92Å; K672-A738 PolarHBondContact NZ-O 3Å; K672-A738 VanDerWaalsContact NZ-O 3.15Å
673S81.3Confident88.1Confident76 Ų7616.5 Ų16.553%0.5318%0.082SC..THydrogen-bonded Turntrans-79.8-16.5171.952.30000113.2G671G671-S673 PolarHBondContact O-N 3.23Å
674D87.1Confident88.2Confident0 Ų017.4 Ų17.40%09%0.085CC..  trans-83.4156.1-179.9-160.18.7000110.6C490 H613 R617 R670 G671 K672C490-D674 VanDerWaalsContact CB-O 3.25Å; C490-D674 WeakPolarHBondContact CB-O 3.26Å; H613-D674 WeakPolarHBondContact CA-OD1 3.29Å; H613-D674 WeakPolarHBondContact CA-OD2 3.4Å; H613-D674 IonicContact CD2-OD1 2.82Å; H613-D674 PolarHBondContact N-OD2 2.94Å; R617-D674 IonicContact CZ-OD1 2.78Å; R617-D674 IonicContact NH1-OD1 3Å; R617-D674 PolarHBondContact NH1-OD1 3.06Å; R670-D674 PolarHBondContact N-OD2 3.42Å; G671-D674 WeakPolarHBondContact O-CB 3.3Å; G671-D674 PolarHBondContact O-N 2.88Å; G671-D674 VanDerWaalsContact O-N 3.09Å; K672-D674 VanDerWaalsContact C-N 3.31Å
675Y90.9Very high88.4Confident41 Ų4117.4 Ų17.416%0.1619%0.085CC..  trans-143.3143.917761.8-90.9000111.3C490 R617 F721 L722 M725C490-Y675 CarbonylContact O-C 3.58Å; C490-Y675 WeakPolarHBondContact O-CA 3.36Å; C490-Y675 WeakPolarHBondContact O-CB 3.37Å; R617-Y675 PolarHBondContact NH1-O 3.29Å; Y675-F721 HydrophobicContact CD2-CE1 4.28Å; Y675-L722 HydrophobicContact CD2-CD2 4.46Å; Y675-L722 HydrophobicContact CE2-CD2 4.03Å; Y675-M725 HydrophobicContact CD1-CB 4.06Å; Y675-M725 HydrophobicContact CD2-CB 3.61Å; Y675-M725 HydrophobicContact CD2-CG 4.07Å; Y675-M725 HydrophobicContact CE1-CB 4.32Å; Y675-M725 HydrophobicContact CE2-CB 3.91Å; Y675-M725 HydrophobicContact CG-CB 3.7Å; Y675-M725 HydrophobicContact CG-CG 4.02Å
676G91.7Very high88.5Confident0 Ų018.4 Ų18.40%09%0.094CC..EExtended strand (participates in β ladder)trans-152.8145.5-175.700000112.8C490 L492 R617C490-G676 PolarHBondContact O-N 3.35Å; L492-G676 PolarHBondContact N-O 2.92Å; L492-G676 VanDerWaalsContact N-O 3.17Å; R617-G676 WeakPolarHBondContact O-CA 3.33Å
677I94Very high88.9Confident0 Ų025.4 Ų25.40%012%0.119CC..EExtended strand (participates in β ladder)trans-94.2131171.6-57.1172.1000108.2M494 V532 R617 C618 V619 I679 F721 L722M494-I677 HydrophobicContact CE-CG2 3.77Å; V532-I677 HydrophobicContact CG2-CD1 4.46Å; R617-I677 PolarHBondContact O-N 3.2Å; C618-I677 CarbonylContact C-O 3.53Å; C618-I677 WeakPolarHBondContact CA-O 3.13Å; C618-I677 HydrophobicContact CB-CB 4.29Å; V619-I677 PolarHBondContact N-O 3.48Å; I677-I679 HydrophobicContact CG2-CD1 4.07Å; I677-I679 HydrophobicContact CG2-CG1 3.76Å; I677-F721 HydrophobicContact CD1-CD1 4.03Å; I677-F721 HydrophobicContact CG1-CD1 3.54Å; I677-F721 HydrophobicContact CG1-CE1 3.74Å; I677-L722 HydrophobicContact CD1-CD1 3.96Å; I677-L722 HydrophobicContact CD1-CD2 4.08Å; I677-L722 HydrophobicContact CD1-CG 3.87Å
678M94.4Very high89.2Confident1 Ų127 Ų271%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-116.2108.6179-70.8177-167.500109.3V491 L492 P493 M494 L665 A668 I669 W697 I698V491-M678 HydrophobicContact CG1-CE 3.4Å; V491-M678 VanDerWaalsContact CG1-CE 3.4Å; V491-M678 HydrophobicContact CG1-CG 4.18Å; V491-M678 HydrophobicContact CG1-SD 3.51Å; V491-M678 VanDerWaalsContact CG1-SD 3.51Å; L492-M678 PolarHBondContact O-N 2.71Å; P493-M678 CarbonylContact C-O 3.58Å; P493-M678 VanDerWaalsContact CA-O 3.31Å; P493-M678 WeakPolarHBondContact CA-O 3.42Å; P493-M678 HydrophobicContact CB-CB 4.4Å; M494-M678 PolarHBondContact N-O 3.48Å; L665-M678 HydrophobicContact CB-SD 4.09Å; L665-M678 HydrophobicContact CD2-CB 3.95Å; L665-M678 HydrophobicContact CD2-CG 4.14Å; L665-M678 WeakPolarHBondContact O-CE 3.39Å; A668-M678 HydrophobicContact CB-CE 3.95Å; I669-M678 HydrophobicContact CD1-CE 3.31Å; I669-M678 HydrophobicContact CG1-CE 3.88Å; M678-W697 HydrophobicContact CE-CH2 3.78Å; M678-W697 HydrophobicContact CE-CZ3 3.96Å; M678-W697 HydrophobicContact SD-CH2 4.42Å; M678-I698 HydrophobicContact SD-CD1 4.3Å
679I95.3Very high89.6Confident0 Ų029.7 Ų29.70%015%0.151CC..EExtended strand (participates in β ladder)trans-106.8117.9-176.9-60.2-178.5000109.7M494 V496 L524 L528 V619 I620 M621 I677 A681M494-I679 HydrophobicContact CE-CD1 3.96Å; M494-I679 HydrophobicContact CE-CG1 3.86Å; V496-I679 HydrophobicContact CB-CG2 4.33Å; V496-I679 HydrophobicContact CG2-CG2 3.7Å; L524-I679 HydrophobicContact CD2-CG2 4.4Å; L528-I679 HydrophobicContact CD1-CD1 3.44Å; L528-I679 VanDerWaalsContact CD1-CD1 3.44Å; L528-I679 HydrophobicContact CD2-CD1 3.66Å; L528-I679 HydrophobicContact CG-CD1 4.2Å; V619-I679 PolarHBondContact O-N 3.39Å; I620-I679 HydrophobicContact CG1-CB 4.41Å; I620-I679 HydrophobicContact CG2-CB 4.47Å; I620-I679 HydrophobicContact CG2-CG2 4.45Å; M621-I679 PolarHBondContact N-O 2.89Å; I677-I679 HydrophobicContact CG2-CD1 4.07Å; I677-I679 HydrophobicContact CG2-CG1 3.76Å; I679-A681 HydrophobicContact CG2-CB 4.41Å
680L95.9Very high89.9Confident2 Ų229.9 Ų29.91%0.0115%0.151CC..EExtended strand (participates in β ladder)trans-94.396.3170.2-70.5173.1000108.6M494 I495 V496 M621 L665 D682 Y685 L694M494-L680 PolarHBondContact O-N 3.29Å; I495-L680 WeakPolarHBondContact CA-O 3.1Å; I495-L680 HydrophobicContact CG1-CB 4.03Å; I495-L680 HydrophobicContact CG1-CD1 4.02Å; V496-L680 PolarHBondContact N-O 3.44Å; M621-L680 HydrophobicContact CB-CD2 3.92Å; M621-L680 HydrophobicContact CG-CD2 4.11Å; L665-L680 HydrophobicContact CD1-CD2 3.74Å; L665-L680 HydrophobicContact CD1-CG 4.24Å; L680-D682 PolarHBondContact O-N 3.34Å; L680-Y685 HydrophobicContact CB-CD1 4.45Å; L680-Y685 HydrophobicContact CB-CD2 3.79Å; L680-Y685 HydrophobicContact CB-CE2 4.28Å; L680-Y685 HydrophobicContact CB-CG 3.91Å; L680-Y685 HydrophobicContact CD1-CD1 3.94Å; L680-Y685 HydrophobicContact CD1-CE1 4.43Å; L680-Y685 HydrophobicContact CD1-CG 4.1Å; L680-Y685 HydrophobicContact CD2-CD1 3.95Å; L680-Y685 HydrophobicContact CD2-CD2 4.15Å; L680-Y685 HydrophobicContact CD2-CE1 3.65Å; L680-Y685 HydrophobicContact CD2-CE2 3.92Å; L680-Y685 HydrophobicContact CD2-CG 4.18Å; L680-Y685 HydrophobicContact CG-CD1 4.35Å; L680-Y685 HydrophobicContact CG-CD2 4.44Å; L680-Y685 HydrophobicContact CG-CG 4.3Å; L680-L694 HydrophobicContact CD1-CD1 3.89Å
681A95.3Very high90.3Very high0 Ų029.4 Ų29.40%015%0.149CC..EExtended strand (participates in β ladder)trans-90.371.9-176.300000110.9Y521 L524 I620 M621 F622 G623 I679Y521-A681 HydrophobicContact CD1-CB 4.33Å; Y521-A681 HydrophobicContact CE1-CB 3.98Å; Y521-A681 WeakPolarHBondContact CE1-O 3.45Å; Y521-A681 PolarHBondContact OH-O 2.97Å; L524-A681 HydrophobicContact CD2-CB 3.76Å; I620-A681 HydrophobicContact CG2-CB 4.43Å; M621-A681 PolarHBondContact O-N 2.6Å; F622-A681 HydrophobicContact CD1-CB 3.99Å; F622-A681 HydrophobicContact CE1-CB 4.47Å; G623-A681 PolarHBondContact N-O 3.36Å; I679-A681 HydrophobicContact CG2-CB 4.41Å
682D94.2Very high90.6Very high0 Ų034.9 Ų34.90%017%0.17CC..  trans-164.7134.4167.5-160.1-61.7000110.5V496 M505 T506 T507 G623 V624 L680 R684 Y685V496-D682 PolarHBondContact O-N 3.36Å; M505-D682 CarbonylContact O-C 3.33Å; M505-D682 WeakPolarHBondContact O-CA 3.33Å; T506-D682 WeakPolarHBondContact CA-OD2 3.41Å; T506-D682 WeakPolarHBondContact CB-OD1 3.34Å; T506-D682 PolarHBondContact OG1-OD1 3.07Å; T506-D682 PolarHBondContact OG1-OD2 3.46Å; T507-D682 PolarHBondContact N-OD2 3.03Å; G623-D682 WeakPolarHBondContact CA-OD2 3.23Å; V624-D682 HydrophobicContact CG2-CB 4.33Å; L680-D682 PolarHBondContact O-N 3.34Å; D682-R684 PolarHBondContact O-N 3.39Å; D682-R684 VanDerWaalsContact OD1-CB 3.25Å; D682-R684 WeakPolarHBondContact OD1-CB 3.31Å; D682-R684 VanDerWaalsContact OD1-CG 3.25Å; D682-R684 WeakPolarHBondContact OD1-CG 3.25Å; D682-R684 IonicContact OD1-CZ 3.02Å; D682-R684 PolarHBondContact OD1-N 3.43Å; D682-R684 IonicContact OD1-NE 3.84Å; D682-R684 PolarHBondContact OD1-NE 3.16Å; D682-R684 IonicContact OD1-NH2 3.19Å; D682-R684 IonicContact OD2-CZ 2.68Å; D682-R684 IonicContact OD2-NE 3.33Å; D682-R684 PolarHBondContact OD2-NE 3.36Å; D682-R684 VanDerWaalsContact OD2-NE 3.14Å; D682-R684 IonicContact OD2-NH2 2.71Å; D682-R684 PolarHBondContact OD2-NH2 3.03Å; D682-Y685 HydrophobicContact CB-CD2 3.63Å; D682-Y685 HydrophobicContact CB-CE2 3.93Å; D682-Y685 PolarHBondContact O-N 3.07Å; D682-Y685 VanDerWaalsContact O-N 3.14Å
683K93.3Very high91.1Very high113 Ų11335.9 Ų35.949%0.49118%0.175SC..G310 helixtrans-54.4-28.7173.2-178.5174178.21760113.2P504 M505 Y685 A686P504-K683 HydrophobicContact CB-CD 3.83Å; M505-K683 PolarHBondContact O-N 3.26Å; K683-Y685 VanDerWaalsContact C-N 3.28Å; K683-Y685 PolarHBondContact O-N 3.01Å; K683-A686 WeakPolarHBondContact O-CB 3.42Å; K683-A686 PolarHBondContact O-N 3.1Å
684R92.3Very high91.5Very high27 Ų2732.3 Ų32.310%0.10215%0.15CC..G310 helixtrans-64.2-30.3-178.8-69.1176.3-68.1-178.30.7112.8T506 T507 V624 D682 A686 R687 K690T506-R684 PolarHBondContact OG1-NE 3.25Å; T507-R684 PolarHBondContact OG1-NH2 3.1Å; V624-R684 HydrophobicContact CG2-CB 3.96Å; D682-R684 PolarHBondContact O-N 3.39Å; D682-R684 VanDerWaalsContact OD1-CB 3.25Å; D682-R684 WeakPolarHBondContact OD1-CB 3.31Å; D682-R684 VanDerWaalsContact OD1-CG 3.25Å; D682-R684 WeakPolarHBondContact OD1-CG 3.25Å; D682-R684 IonicContact OD1-CZ 3.02Å; D682-R684 PolarHBondContact OD1-N 3.43Å; D682-R684 IonicContact OD1-NE 3.84Å; D682-R684 PolarHBondContact OD1-NE 3.16Å; D682-R684 IonicContact OD1-NH2 3.19Å; D682-R684 IonicContact OD2-CZ 2.68Å; D682-R684 IonicContact OD2-NE 3.33Å; D682-R684 PolarHBondContact OD2-NE 3.36Å; D682-R684 VanDerWaalsContact OD2-NE 3.14Å; D682-R684 IonicContact OD2-NH2 2.71Å; D682-R684 PolarHBondContact OD2-NH2 3.03Å; R684-A686 PolarHBondContact O-N 3.17Å; R684-R687 WeakPolarHBondContact O-CB 3.38Å; R684-R687 PolarHBondContact O-N 3.49Å; R684-R687 VanDerWaalsContact O-N 3.15Å; R684-K690 HydrophobicContact CB-CD 4.23Å; R684-K690 WeakPolarHBondContact O-CD 3.46Å
685Y92.8Very high91.4Very high0 Ų032.3 Ų32.30%015%0.15CC..G310 helixtrans-63.8-25.6178.7-76.4-73000113M621 G623 V624 P625 M658 A661 L680 D682 K683 R687M621-Y685 HydrophobicContact CG-CE2 4.5Å; M621-Y685 WeakPolarHBondContact CG-OH 3.48Å; G623-Y685 WeakPolarHBondContact O-CE2 3.43Å; G623-Y685 PolarHBondContact O-OH 3.02Å; V624-Y685 HydrophobicContact CG2-CD2 4.14Å; V624-Y685 HydrophobicContact CG2-CE1 4.39Å; V624-Y685 HydrophobicContact CG2-CE2 3.72Å; P625-Y685 VanDerWaalsContact CD-OH 3.3Å; P625-Y685 WeakPolarHBondContact CD-OH 3.45Å; M658-Y685 HydrophobicContact CE-CD1 4.13Å; M658-Y685 HydrophobicContact CE-CE1 3.42Å; M658-Y685 VanDerWaalsContact CE-CE1 3.42Å; M658-Y685 HydrophobicContact SD-CD1 3.97Å; M658-Y685 HydrophobicContact SD-CE1 3.64Å; A661-Y685 HydrophobicContact CB-CE1 4.48Å; L680-Y685 HydrophobicContact CB-CD1 4.45Å; L680-Y685 HydrophobicContact CB-CD2 3.79Å; L680-Y685 HydrophobicContact CB-CE2 4.28Å; L680-Y685 HydrophobicContact CB-CG 3.91Å; L680-Y685 HydrophobicContact CD1-CD1 3.94Å; L680-Y685 HydrophobicContact CD1-CE1 4.43Å; L680-Y685 HydrophobicContact CD1-CG 4.1Å; L680-Y685 HydrophobicContact CD2-CD1 3.95Å; L680-Y685 HydrophobicContact CD2-CD2 4.15Å; L680-Y685 HydrophobicContact CD2-CE1 3.65Å; L680-Y685 HydrophobicContact CD2-CE2 3.92Å; L680-Y685 HydrophobicContact CD2-CG 4.18Å; L680-Y685 HydrophobicContact CG-CD1 4.35Å; L680-Y685 HydrophobicContact CG-CD2 4.44Å; L680-Y685 HydrophobicContact CG-CG 4.3Å; D682-Y685 HydrophobicContact CB-CD2 3.63Å; D682-Y685 HydrophobicContact CB-CE2 3.93Å; D682-Y685 PolarHBondContact O-N 3.07Å; D682-Y685 VanDerWaalsContact O-N 3.14Å; K683-Y685 VanDerWaalsContact C-N 3.28Å; K683-Y685 PolarHBondContact O-N 3.01Å; Y685-R687 PolarHBondContact O-N 3.03Å
686A91Very high91.1Very high23 Ų2331.5 Ų31.519%0.1915%0.154CC..G310 helixtrans-69-15.517700000113.5I495 K683 R684 I707 N708I495-A686 HydrophobicContact CG2-CB 4.31Å; K683-A686 WeakPolarHBondContact O-CB 3.42Å; K683-A686 PolarHBondContact O-N 3.1Å; R684-A686 PolarHBondContact O-N 3.17Å; A686-I707 HydrophobicContact CB-CG2 3.98Å; A686-N708 WeakPolarHBondContact CB-OD1 3.44Å
687R91.8Very high90.8Very high148 Ų14831.6 Ų31.656%0.55815%0.154SC*.SBendtrans-73.3138.3177.1-61.7173.149.8152.47.9110.9R684 Y685 D689 K690 R691R684-R687 WeakPolarHBondContact O-CB 3.38Å; R684-R687 PolarHBondContact O-N 3.49Å; R684-R687 VanDerWaalsContact O-N 3.15Å; Y685-R687 PolarHBondContact O-N 3.03Å; R687-D689 WeakPolarHBondContact CB-OD1 3.46Å; R687-D689 IonicContact CZ-OD1 3.19Å; R687-D689 IonicContact NE-OD1 3.58Å; R687-D689 PolarHBondContact NE-OD1 3.13Å; R687-D689 IonicContact NE-OD2 3.42Å; R687-D689 IonicContact NH2-OD1 2.7Å; R687-D689 IonicContact NH2-OD2 3.36Å; R687-D689 PolarHBondContact O-N 2.82Å; R687-D689 VanDerWaalsContact O-N 3.17Å; R687-K690 PolarHBondContact O-N 2.84Å; R687-K690 VanDerWaalsContact O-N 3.07Å; R687-R691 PolarHBondContact O-N 3.31Å
688A88.3Confident90.5Very high49 Ų4931.6 Ų31.641%0.40515%0.154SC..Hα-helixtrans-51-40.6179.800000113.6K690 R691 F692A688-K690 PolarHBondContact O-N 2.85Å; A688-K690 VanDerWaalsContact O-N 3.12Å; A688-R691 PolarHBondContact O-N 3.21Å; A688-F692 HydrophobicContact CB-CD2 3.85Å; A688-F692 HydrophobicContact CB-CE2 3.64Å; A688-F692 WeakPolarHBondContact O-CB 3.45Å; A688-F692 WeakPolarHBondContact O-CD2 3.31Å; A688-F692 PolarHBondContact O-N 3.45Å
689D87.9Confident90.2Very high58 Ų5834.1 Ų34.131%0.3117%0.166SC..Hα-helixtrans-61.4-22.5-177.964.5-63.1000114.5R687 K693R687-D689 WeakPolarHBondContact CB-OD1 3.46Å; R687-D689 IonicContact CZ-OD1 3.19Å; R687-D689 IonicContact NE-OD1 3.58Å; R687-D689 PolarHBondContact NE-OD1 3.13Å; R687-D689 IonicContact NE-OD2 3.42Å; R687-D689 IonicContact NH2-OD1 2.7Å; R687-D689 IonicContact NH2-OD2 3.36Å; R687-D689 PolarHBondContact O-N 2.82Å; R687-D689 VanDerWaalsContact O-N 3.17Å; D689-K693 WeakPolarHBondContact O-CE 3.35Å; D689-K693 WeakPolarHBondContact O-CG 3.42Å
690K89.7Confident89.8Confident6 Ų637.4 Ų37.43%0.02619%0.189CC..Hα-helixtrans-102.9-44.4177.6-72.6172.5-160.665.60111.4Y626 T654 M658 R684 R687 A688 F692 K693Y626-K690 WeakPolarHBondContact OH-CE 3.42Å; T654-K690 HydrophobicContact CG2-CG 3.56Å; M658-K690 HydrophobicContact CE-CD 4.4Å; M658-K690 HydrophobicContact CE-CG 4.33Å; M658-K690 HydrophobicContact CG-CB 4.44Å; M658-K690 HydrophobicContact SD-CB 3.78Å; M658-K690 HydrophobicContact SD-CG 4.13Å; R684-K690 HydrophobicContact CB-CD 4.23Å; R684-K690 WeakPolarHBondContact O-CD 3.46Å; R687-K690 PolarHBondContact O-N 2.84Å; R687-K690 VanDerWaalsContact O-N 3.07Å; A688-K690 PolarHBondContact O-N 2.85Å; A688-K690 VanDerWaalsContact O-N 3.12Å; K690-F692 VanDerWaalsContact C-N 3.29Å; K690-F692 PolarHBondContact O-N 3.47Å; K690-K693 PolarHBondContact O-N 2.84Å
691R88.9Confident89.4Confident57 Ų5738.8 Ų38.822%0.21520%0.195CC..Hα-helixtrans-54.9-44.9179.3-171.9175.565.8166.7-0.7111.6R687 A688 K693 L694 Q699 L702 D704R687-R691 PolarHBondContact O-N 3.31Å; A688-R691 PolarHBondContact O-N 3.21Å; R691-K693 VanDerWaalsContact C-N 3.25Å; R691-K693 PolarHBondContact O-N 2.99Å; R691-L694 PolarHBondContact O-N 3.48Å; R691-Q699 VanDerWaalsContact O-CD 3.3Å; R691-Q699 WeakPolarHBondContact O-CG 3.48Å; R691-Q699 PolarHBondContact O-NE2 3.34Å; R691-Q699 VanDerWaalsContact O-NE2 3.13Å; R691-L702 HydrophobicContact CG-CD2 3.81Å; R691-D704 IonicContact NH1-OD1 3.66Å; R691-D704 PolarHBondContact NH1-OD1 3.07Å
692F88.2Confident89.1Confident125 Ų12539.5 Ų39.555%0.54820%0.199SC..THydrogen-bonded Turntrans-74.5-8.3-179.7-66.6-54000114.8A688 K690 Q699A688-F692 HydrophobicContact CB-CD2 3.85Å; A688-F692 HydrophobicContact CB-CE2 3.64Å; A688-F692 WeakPolarHBondContact O-CB 3.45Å; A688-F692 WeakPolarHBondContact O-CD2 3.31Å; A688-F692 PolarHBondContact O-N 3.45Å; K690-F692 VanDerWaalsContact C-N 3.29Å; K690-F692 PolarHBondContact O-N 3.47Å; F692-Q699 VanDerWaalsContact CA-NE2 3.3Å; F692-Q699 PolarHBondContact O-NE2 3.19Å
693K89.2Confident88.8Confident27 Ų2744.1 Ų44.112%0.11722%0.221CC..THydrogen-bonded Turntrans-95.8-1.1174.3-64.6-166.9-172.3-150.40113.4S463 E651 T654 M658 D689 K690 R691S463-K693 WeakPolarHBondContact CB-O 3.34Å; S463-K693 PolarHBondContact OG-O 3.23Å; S463-K693 VanDerWaalsContact OG-O 3.09Å; E651-K693 PolarHBondContact O-NZ 3.28Å; T654-K693 HydrophobicContact CG2-CD 3.86Å; M658-K693 HydrophobicContact CB-CB 3.98Å; M658-K693 HydrophobicContact CG-CB 3.92Å; D689-K693 WeakPolarHBondContact O-CE 3.35Å; D689-K693 WeakPolarHBondContact O-CG 3.42Å; K690-K693 PolarHBondContact O-N 2.84Å; R691-K693 VanDerWaalsContact C-N 3.25Å; R691-K693 PolarHBondContact O-N 2.99Å
694L88.6Confident88.6Confident1 Ų144.6 Ų44.61%0.00523%0.229CC..SBendtrans-70.6160.2169.7-66.4173.6000109.7S463 M658 L680 R691 I698 Q699S463-L694 PolarHBondContact OG-O 2.96Å; M658-L694 HydrophobicContact SD-CD2 4.36Å; L680-L694 HydrophobicContact CD1-CD1 3.89Å; R691-L694 PolarHBondContact O-N 3.48Å; L694-I698 HydrophobicContact CD1-CG2 4.44Å; L694-Q699 HydrophobicContact CB-CG 3.93Å; L694-Q699 PolarHBondContact O-NE2 2.86Å
695P86.3Confident88.5Confident0 Ų046.9 Ų46.90%025%0.253CS..  trans-56.1143.8171.9-29.837.6000112.6E41 T461 A662 W697 I698 Q699E41-P695 WeakPolarHBondContact OE1-CB 3.32Å; T461-P695 HydrophobicContact CG2-CG 4.3Å; A662-P695 VanDerWaalsContact CB-CD 3.49Å; A662-P695 HydrophobicContact CB-CG 3.72Å; P695-W697 VanDerWaalsContact CB-CD1 3.43Å; P695-W697 HydrophobicContact CB-CG 4.28Å; P695-W697 VanDerWaalsContact CB-NE1 3.27Å; P695-W697 PolarHBondContact O-N 2.96Å; P695-W697 VanDerWaalsContact O-N 3.15Å; P695-I698 HydrophobicContact CB-CG1 4.42Å; P695-I698 HydrophobicContact CG-CD1 4.27Å; P695-I698 PolarHBondContact O-N 2.89Å; P695-Q699 PolarHBondContact O-N 2.99Å
696G84.1Confident88.5Confident24 Ų2449 Ų4925%0.24726%0.262CS..Hα-helixtrans-57.6-32.7-176.800000113.4Q699 S700G696-Q699 PolarHBondContact O-N 2.89Å; G696-S700 PolarHBondContact O-N 2.97Å; G696-S700 PolarHBondContact O-OG 2.83Å
697W85.4Confident88.4Confident3 Ų349 Ų491%0.01126%0.259CS..Hα-helixtrans-71.9-25.4177.869.8-94.4000114.3P43 G460 M484 V491 I669 M678 P695 S700P43-W697 HydrophobicContact CB-CB 4.31Å; P43-W697 HydrophobicContact CB-CD2 4.25Å; P43-W697 HydrophobicContact CB-CG 3.88Å; P43-W697 HydrophobicContact CG-CB 3.91Å; P43-W697 HydrophobicContact CG-CG 3.89Å; G460-W697 PolarHBondContact O-NE1 2.84Å; G460-W697 VanDerWaalsContact O-NE1 3.13Å; M484-W697 HydrophobicContact CB-CB 4.12Å; M484-W697 HydrophobicContact CE-CE3 3.96Å; M484-W697 HydrophobicContact CE-CZ3 4.36Å; V491-W697 HydrophobicContact CG1-CZ3 4.46Å; V491-W697 HydrophobicContact CG2-CZ3 4.4Å; I669-W697 HydrophobicContact CD1-CH2 4.12Å; I669-W697 HydrophobicContact CD1-CZ3 3.74Å; M678-W697 HydrophobicContact CE-CH2 3.78Å; M678-W697 HydrophobicContact CE-CZ3 3.96Å; M678-W697 HydrophobicContact SD-CH2 4.42Å; P695-W697 VanDerWaalsContact CB-CD1 3.43Å; P695-W697 HydrophobicContact CB-CG 4.28Å; P695-W697 VanDerWaalsContact CB-NE1 3.27Å; P695-W697 PolarHBondContact O-N 2.96Å; P695-W697 VanDerWaalsContact O-N 3.15Å; W697-S700 PolarHBondContact O-OG 3.24Å
698I88Confident88.4Confident0 Ų045.3 Ų45.30%025%0.251CS..Hα-helixtrans-80.7-43.4171.8-63.1-177.4000109.4P493 L665 M678 L694 P695 S700 Q701 L702P493-I698 HydrophobicContact CB-CG2 3.93Å; P493-I698 HydrophobicContact CG-CG2 4.33Å; L665-I698 HydrophobicContact CB-CD1 4.22Å; L665-I698 HydrophobicContact CD1-CD1 4.34Å; M678-I698 HydrophobicContact SD-CD1 4.3Å; L694-I698 HydrophobicContact CD1-CG2 4.44Å; P695-I698 HydrophobicContact CB-CG1 4.42Å; P695-I698 HydrophobicContact CG-CD1 4.27Å; P695-I698 PolarHBondContact O-N 2.89Å; I698-S700 VanDerWaalsContact C-N 3.3Å; I698-S700 PolarHBondContact O-N 3.11Å; I698-Q701 PolarHBondContact O-N 2.94Å; I698-L702 PolarHBondContact O-N 3.21Å
699Q88.5Confident88.6Confident54 Ų5443.7 Ų43.725%0.25224%0.235SC..Hα-helixtrans-60.5-39.5-179.5-67.6-173.229.900112.3R691 F692 L694 P695 G696 Q701 L702R691-Q699 VanDerWaalsContact O-CD 3.3Å; R691-Q699 WeakPolarHBondContact O-CG 3.48Å; R691-Q699 PolarHBondContact O-NE2 3.34Å; R691-Q699 VanDerWaalsContact O-NE2 3.13Å; F692-Q699 VanDerWaalsContact CA-NE2 3.3Å; F692-Q699 PolarHBondContact O-NE2 3.19Å; L694-Q699 HydrophobicContact CB-CG 3.93Å; L694-Q699 PolarHBondContact O-NE2 2.86Å; P695-Q699 PolarHBondContact O-N 2.99Å; G696-Q699 PolarHBondContact O-N 2.89Å; Q699-Q701 PolarHBondContact O-N 3.35Å; Q699-L702 PolarHBondContact O-N 2.91Å; Q699-L702 VanDerWaalsContact O-N 3.14Å
700S86.4Confident88.9Confident69 Ų6941.3 Ų41.348%0.48322%0.223SC..THydrogen-bonded Turntrans-64-25179.766.30000113.7G696 W697 I698G696-S700 PolarHBondContact O-N 2.97Å; G696-S700 PolarHBondContact O-OG 2.83Å; W697-S700 PolarHBondContact O-OG 3.24Å; I698-S700 VanDerWaalsContact C-N 3.3Å; I698-S700 PolarHBondContact O-N 3.11Å
701Q86.5Confident89.2Confident30 Ų3041 Ų4114%0.1422%0.221CC..THydrogen-bonded Turntrans-93.6-12.8177.7-60-59.3-42.800112.9N489 P493 I698 Q699 Q703N489-Q701 PolarHBondContact OD1-OE1 3.35Å; P493-Q701 HydrophobicContact CG-CB 3.81Å; I698-Q701 PolarHBondContact O-N 2.94Å; Q699-Q701 PolarHBondContact O-N 3.35Å; Q701-Q703 PolarHBondContact O-N 2.92Å
702L89Confident89.4Confident15 Ų1543.3 Ų43.38%0.07924%0.235CC..  trans-81.884.4179.3-174.768000110.3P493 I495 R691 I698 Q699 I707P493-L702 HydrophobicContact CB-CD1 4.18Å; P493-L702 HydrophobicContact CG-CB 4.02Å; P493-L702 HydrophobicContact CG-CD1 4.32Å; P493-L702 WeakPolarHBondContact O-CD1 3.3Å; I495-L702 HydrophobicContact CD1-CD1 4.36Å; I495-L702 HydrophobicContact CD1-CD2 3.82Å; I495-L702 HydrophobicContact CG1-CD1 4.31Å; R691-L702 HydrophobicContact CG-CD2 3.81Å; I698-L702 PolarHBondContact O-N 3.21Å; Q699-L702 PolarHBondContact O-N 2.91Å; Q699-L702 VanDerWaalsContact O-N 3.14Å; L702-I707 HydrophobicContact CD1-CG1 4.33Å; L702-I707 HydrophobicContact CD2-CD1 4.42Å; L702-I707 HydrophobicContact CD2-CG1 4.5Å; L702-I707 HydrophobicContact CG-CD1 4.34Å; L702-I707 HydrophobicContact CG-CG1 4.19Å
703Q89Confident89.7Confident97 Ų9741.2 Ų41.245%0.45323%0.227SC..  trans-66.9148174.9-57.5179.1-2.700111Q701 A705 F706Q701-Q703 PolarHBondContact O-N 2.92Å; Q703-A705 PolarHBondContact O-N 3.3Å; Q703-A705 VanDerWaalsContact O-N 3.11Å; Q703-F706 HydrophobicContact CB-CD2 3.83Å; Q703-F706 HydrophobicContact CB-CE2 4.2Å; Q703-F706 HydrophobicContact CG-CD2 4.31Å; Q703-F706 HydrophobicContact CG-CE2 4.33Å; Q703-F706 PolarHBondContact O-N 3.22Å
704D89.2Confident89.9Confident124 Ų12440 Ų4066%0.66322%0.221SC*.G310 helixtrans-58.5-28.6179.7-71.4-38.9000113.1R691 F706 I707R691-D704 IonicContact NH1-OD1 3.66Å; R691-D704 PolarHBondContact NH1-OD1 3.07Å; D704-F706 PolarHBondContact O-N 3.4Å; D704-I707 WeakPolarHBondContact O-CB 3.43Å; D704-I707 PolarHBondContact O-N 2.99Å
705A91Very high90.2Very high74 Ų7440.1 Ų40.161%0.61222%0.222SC*.G310 helixtrans-63.8-23.317500000113.8Q703 L709Q703-A705 PolarHBondContact O-N 3.3Å; Q703-A705 VanDerWaalsContact O-N 3.11Å; A705-L709 VanDerWaalsContact O-CD2 3.27Å; A705-L709 WeakPolarHBondContact O-CD2 3.49Å
706F91.5Very high90.6Very high44 Ų4445.9 Ų45.919%0.19325%0.249CC..G310 helixtrans-98.714.4178.9-58.4-55.4000113L492 M494 I495 Q703 D704 L709 A717L492-F706 HydrophobicContact CD1-CD1 4.37Å; L492-F706 HydrophobicContact CD1-CD2 3.8Å; L492-F706 HydrophobicContact CD1-CE1 4.21Å; L492-F706 HydrophobicContact CD1-CE2 3.61Å; L492-F706 HydrophobicContact CD1-CG 4.19Å; L492-F706 HydrophobicContact CD1-CZ 3.83Å; M494-F706 HydrophobicContact CB-CB 4.38Å; M494-F706 HydrophobicContact CG-CB 4.08Å; M494-F706 HydrophobicContact CG-CD1 4.3Å; M494-F706 HydrophobicContact CG-CG 4.27Å; M494-F706 HydrophobicContact SD-CD1 4.28Å; I495-F706 PolarHBondContact N-O 3.24Å; Q703-F706 HydrophobicContact CB-CD2 3.83Å; Q703-F706 HydrophobicContact CB-CE2 4.2Å; Q703-F706 HydrophobicContact CG-CD2 4.31Å; Q703-F706 HydrophobicContact CG-CE2 4.33Å; Q703-F706 PolarHBondContact O-N 3.22Å; D704-F706 PolarHBondContact O-N 3.4Å; F706-L709 HydrophobicContact CB-CD1 4.41Å; F706-L709 HydrophobicContact CD1-CD1 4.16Å; F706-A717 HydrophobicContact CD1-CB 4.32Å; F706-A717 HydrophobicContact CE1-CB 3.93Å
707I89.5Confident91.1Very high24 Ų2445.5 Ų45.512%0.12324%0.244CC..EExtended strand (participates in β ladder)trans-101.9131.3176.8-54.9-176.4000108.6I495 A686 L702 D704I495-I707 HydrophobicContact CD1-CG2 4.45Å; A686-I707 HydrophobicContact CB-CG2 3.98Å; L702-I707 HydrophobicContact CD1-CG1 4.33Å; L702-I707 HydrophobicContact CD2-CD1 4.42Å; L702-I707 HydrophobicContact CD2-CG1 4.5Å; L702-I707 HydrophobicContact CG-CD1 4.34Å; L702-I707 HydrophobicContact CG-CG1 4.19Å; D704-I707 WeakPolarHBondContact O-CB 3.43Å; D704-I707 PolarHBondContact O-N 2.99Å
708N91Very high91.5Very high71 Ų7145.4 Ų45.438%0.3824%0.243SC..EExtended strand (participates in β ladder)trans65.640.4-179.1-62.7-51000115.6I495 S497 A686I495-N708 PolarHBondContact O-N 2.99Å; S497-N708 WeakPolarHBondContact CB-OD1 3.21Å; S497-N708 WeakPolarHBondContact OG-CA 3.25Å; S497-N708 WeakPolarHBondContact OG-CB 3.16Å; S497-N708 PolarHBondContact OG-OD1 2.71Å; A686-N708 WeakPolarHBondContact CB-OD1 3.44Å
709L93.4Very high91.8Very high14 Ų1451 Ų517%0.07326%0.264CS..EExtended strand (participates in β ladder)trans-70.5148.6176.2-60.8-178.3000112.2M494 I495 V496 S497 A705 F706 E713M494-L709 HydrophobicContact CB-CD1 3.99Å; M494-L709 HydrophobicContact CG-CD1 4.2Å; M494-L709 HydrophobicContact SD-CD1 3.79Å; I495-L709 PolarHBondContact O-N 3Å; V496-L709 WeakPolarHBondContact CA-O 3.43Å; S497-L709 PolarHBondContact N-O 3.32Å; A705-L709 VanDerWaalsContact O-CD2 3.27Å; A705-L709 WeakPolarHBondContact O-CD2 3.49Å; F706-L709 HydrophobicContact CB-CD1 4.41Å; F706-L709 HydrophobicContact CD1-CD1 4.16Å; L709-E713 WeakPolarHBondContact CA-OE2 3.46Å; L709-E713 HydrophobicContact CB-CB 4.27Å; L709-E713 HydrophobicContact CD2-CB 4.12Å
710S94.5Very high92.1Very high8 Ų857.3 Ų57.36%0.05629%0.286CS..EExtended strand (participates in β ladder)trans-73.9167.4158.268.10000111.5K498 E713 S714K498-S710 WeakPolarHBondContact O-CA 3.48Å; S710-E713 PolarHBondContact N-OE2 3.04Å; S710-E713 PolarHBondContact O-N 3.43Å; S710-E713 WeakPolarHBondContact OG-CB 3.33Å; S710-E713 WeakPolarHBondContact OG-CG 3.31Å; S710-E713 PolarHBondContact OG-N 3.13Å; S710-E713 PolarHBondContact OG-OE2 3.21Å; S710-S714 WeakPolarHBondContact O-CB 3.27Å; S710-S714 PolarHBondContact O-N 2.92Å
711I94.3Very high92.4Very high0 Ų054.7 Ų54.70%027%0.266CS..Hα-helixtrans-58.6-52.4175.1-60.2170.3000109.4V496 K498 N500 M505 N520 H523 L524 E713 S714 I715V496-I711 HydrophobicContact CG1-CG1 4.2Å; K498-I711 PolarHBondContact O-N 2.88Å; N500-I711 WeakPolarHBondContact OD1-CB 3.29Å; M505-I711 HydrophobicContact SD-CD1 4.07Å; M505-I711 HydrophobicContact SD-CG1 4Å; N520-I711 HydrophobicContact CB-CD1 4.2Å; N520-I711 VanDerWaalsContact O-CD1 3.29Å; N520-I711 WeakPolarHBondContact O-CD1 3.47Å; H523-I711 HydrophobicContact CB-CD1 4.41Å; L524-I711 HydrophobicContact CB-CD1 4.15Å; L524-I711 HydrophobicContact CB-CG1 4.2Å; L524-I711 HydrophobicContact CB-CG2 4.21Å; L524-I711 HydrophobicContact CD1-CB 4.45Å; L524-I711 HydrophobicContact CD1-CG1 4.31Å; L524-I711 HydrophobicContact CD1-CG2 3.87Å; I711-E713 PolarHBondContact O-N 3.28Å; I711-S714 WeakPolarHBondContact O-CB 3.27Å; I711-S714 PolarHBondContact O-N 2.9Å; I711-S714 VanDerWaalsContact O-N 3.08Å; I711-S714 PolarHBondContact O-OG 3.39Å; I711-I715 HydrophobicContact CG2-CG1 4.43Å; I711-I715 WeakPolarHBondContact O-CG1 3.48Å; I711-I715 PolarHBondContact O-N 3.28Å
712E93.6Very high92.7Very high105 Ų10554.1 Ų54.149%0.49126%0.264SS..Hα-helixtrans-57.8-44179.6-82.3175.3-159.300114.2N500 S714 I715 Q716N500-E712 PolarHBondContact ND2-OE1 3.15Å; N500-E712 PolarHBondContact OD1-N 3.25Å; N500-E712 VanDerWaalsContact OD1-N 3.11Å; E712-S714 VanDerWaalsContact C-N 3.29Å; E712-S714 PolarHBondContact O-N 3.38Å; E712-I715 PolarHBondContact O-N 2.9Å; E712-Q716 WeakPolarHBondContact O-CG 3.42Å; E712-Q716 PolarHBondContact O-N 3.48Å
713E94Very high92.9Very high82 Ų8262.7 Ų62.738%0.38330%0.295SS..Hα-helixtrans-60.4-41.4175.9-72.4160.9-173.400111.1L709 S710 I711 I715 Q716 A717L709-E713 WeakPolarHBondContact CA-OE2 3.46Å; L709-E713 HydrophobicContact CB-CB 4.27Å; L709-E713 HydrophobicContact CD2-CB 4.12Å; S710-E713 PolarHBondContact N-OE2 3.04Å; S710-E713 PolarHBondContact O-N 3.43Å; S710-E713 WeakPolarHBondContact OG-CB 3.33Å; S710-E713 WeakPolarHBondContact OG-CG 3.31Å; S710-E713 PolarHBondContact OG-N 3.13Å; S710-E713 PolarHBondContact OG-OE2 3.21Å; I711-E713 PolarHBondContact O-N 3.28Å; E713-I715 VanDerWaalsContact C-N 3.31Å; E713-I715 PolarHBondContact O-N 3.27Å; E713-Q716 PolarHBondContact O-N 3.07Å; E713-A717 WeakPolarHBondContact O-CB 3.44Å; E713-A717 PolarHBondContact O-N 3.34Å
714S94.3Very high93Very high0 Ų061.8 Ų61.80%029%0.293CS..Hα-helixtrans-64-36177.181.90000112.5S710 I711 E712 S718S710-S714 WeakPolarHBondContact O-CB 3.27Å; S710-S714 PolarHBondContact O-N 2.92Å; I711-S714 WeakPolarHBondContact O-CB 3.27Å; I711-S714 PolarHBondContact O-N 2.9Å; I711-S714 VanDerWaalsContact O-N 3.08Å; I711-S714 PolarHBondContact O-OG 3.39Å; E712-S714 VanDerWaalsContact C-N 3.29Å; E712-S714 PolarHBondContact O-N 3.38Å; S714-S718 VanDerWaalsContact O-CB 3.31Å; S714-S718 WeakPolarHBondContact O-CB 3.45Å; S714-S718 PolarHBondContact O-N 2.96Å; S714-S718 PolarHBondContact O-OG 2.85Å
715I95.2Very high93Very high4 Ų456.5 Ų56.52%0.02126%0.264CS..Hα-helixtrans-69-43176-59.8-52.1000110.8Q527 L528 V531 I711 E712 E713 S718 R719Q527-I715 HydrophobicContact CB-CD1 3.74Å; Q527-I715 HydrophobicContact CB-CG1 3.85Å; L528-I715 HydrophobicContact CB-CD1 4.36Å; L528-I715 HydrophobicContact CD2-CD1 3.46Å; L528-I715 VanDerWaalsContact CD2-CD1 3.46Å; L528-I715 HydrophobicContact CG-CD1 3.55Å; V531-I715 HydrophobicContact CG2-CG2 3.73Å; I711-I715 HydrophobicContact CG2-CG1 4.43Å; I711-I715 WeakPolarHBondContact O-CG1 3.48Å; I711-I715 PolarHBondContact O-N 3.28Å; E712-I715 PolarHBondContact O-N 2.9Å; E713-I715 VanDerWaalsContact C-N 3.31Å; E713-I715 PolarHBondContact O-N 3.27Å; I715-S718 WeakPolarHBondContact O-CB 3.46Å; I715-S718 PolarHBondContact O-N 3.08Å; I715-R719 WeakPolarHBondContact O-CG 3.45Å; I715-R719 PolarHBondContact O-N 3.43Å
716Q94.7Very high92.8Very high122 Ų12255.7 Ų55.757%0.5726%0.263SS*.Hα-helixtrans-62.5-44.4177.5-69.1179.315.300111.5E712 E713 R719 R720E712-Q716 WeakPolarHBondContact O-CG 3.42Å; E712-Q716 PolarHBondContact O-N 3.48Å; E713-Q716 PolarHBondContact O-N 3.07Å; Q716-R719 PolarHBondContact O-N 2.97Å; Q716-R720 PolarHBondContact O-N 2.92Å
717A94.3Very high92.6Very high16 Ų1659.2 Ų59.213%0.13228%0.28CS..Hα-helixtrans-60-44.9173.800000111.6M494 F706 E713 R719 R720 F721M494-A717 HydrophobicContact SD-CB 3.59Å; M494-A717 VanDerWaalsContact SD-CB 3.59Å; F706-A717 HydrophobicContact CD1-CB 4.32Å; F706-A717 HydrophobicContact CE1-CB 3.93Å; E713-A717 WeakPolarHBondContact O-CB 3.44Å; E713-A717 PolarHBondContact O-N 3.34Å; A717-R719 PolarHBondContact O-N 3.32Å; A717-R720 PolarHBondContact O-N 3.47Å; A717-F721 WeakPolarHBondContact O-CB 3.31Å; A717-F721 PolarHBondContact O-N 2.96Å
718S94.4Very high92.4Very high0 Ų063.6 Ų63.60%031%0.31CS..Hα-helixtrans-59.8-46.6176.5-61.10000112.4M494 S714 I715 R720 F721 L722M494-S718 WeakPolarHBondContact CE-OG 3.44Å; S714-S718 VanDerWaalsContact O-CB 3.31Å; S714-S718 WeakPolarHBondContact O-CB 3.45Å; S714-S718 PolarHBondContact O-N 2.96Å; S714-S718 PolarHBondContact O-OG 2.85Å; I715-S718 WeakPolarHBondContact O-CB 3.46Å; I715-S718 PolarHBondContact O-N 3.08Å; S718-R720 PolarHBondContact O-N 3.21Å; S718-F721 PolarHBondContact O-N 3.03Å; S718-L722 WeakPolarHBondContact O-CB 3.28Å; S718-L722 VanDerWaalsContact O-CG 3.29Å; S718-L722 WeakPolarHBondContact O-CG 3.46Å; S718-L722 PolarHBondContact O-N 3.45Å
719R94.5Very high92Very high118 Ų11863 Ų6345%0.44530%0.304SS..Hα-helixtrans-60.5-45.8176.8-74.2179.1-170.4150.75.6111.7V531 I715 Q716 A717 F721 R723V531-R719 HydrophobicContact CB-CG 4.34Å; V531-R719 HydrophobicContact CG1-CB 4.4Å; V531-R719 HydrophobicContact CG1-CG 3.42Å; V531-R719 VanDerWaalsContact CG1-CG 3.42Å; V531-R719 HydrophobicContact CG2-CG 3.93Å; V531-R719 VanDerWaalsContact CG2-NE 3.31Å; I715-R719 WeakPolarHBondContact O-CG 3.45Å; I715-R719 PolarHBondContact O-N 3.43Å; Q716-R719 PolarHBondContact O-N 2.97Å; A717-R719 PolarHBondContact O-N 3.32Å; R719-F721 VanDerWaalsContact C-N 3.34Å; R719-R723 WeakPolarHBondContact O-CB 3.42Å; R719-R723 VanDerWaalsContact O-CG 3.28Å; R719-R723 WeakPolarHBondContact O-CG 3.29Å; R719-R723 PolarHBondContact O-N 2.68Å
720R94Very high91.4Very high186 Ų18667.1 Ų67.170%0.70233%0.326SS*.Hα-helixtrans-61.1-46.7178.7-178.7179.8176.7-176.8-0.9110.5Q716 A717 S718 R723 L724Q716-R720 PolarHBondContact O-N 2.92Å; A717-R720 PolarHBondContact O-N 3.47Å; S718-R720 PolarHBondContact O-N 3.21Å; R720-R723 PolarHBondContact O-N 2.86Å; R720-L724 HydrophobicContact CG-CD1 4.27Å; R720-L724 WeakPolarHBondContact O-CG 3.38Å; R720-L724 PolarHBondContact O-N 2.75Å
721F93.8Very high90.6Very high14 Ų1474 Ų746%0.06136%0.355CS..Hα-helixtrans-61.1-50.7178.8177.8-99000112.2N489 L492 Y675 I677 A717 S718 R719 R723 L724 M725N489-F721 VanDerWaalsContact O-CE2 3.26Å; N489-F721 WeakPolarHBondContact O-CE2 3.43Å; L492-F721 HydrophobicContact CB-CD1 4.25Å; L492-F721 HydrophobicContact CB-CD2 3.66Å; L492-F721 HydrophobicContact CB-CE1 4.27Å; L492-F721 HydrophobicContact CB-CE2 3.66Å; L492-F721 HydrophobicContact CB-CG 3.94Å; L492-F721 HydrophobicContact CB-CZ 3.98Å; L492-F721 HydrophobicContact CD2-CB 3.57Å; L492-F721 HydrophobicContact CD2-CD1 4.43Å; L492-F721 HydrophobicContact CD2-CD2 4.02Å; L492-F721 HydrophobicContact CD2-CG 3.77Å; L492-F721 HydrophobicContact CG-CD2 4.35Å; L492-F721 HydrophobicContact CG-CG 4.48Å; Y675-F721 HydrophobicContact CD2-CE1 4.28Å; I677-F721 HydrophobicContact CD1-CD1 4.03Å; I677-F721 HydrophobicContact CG1-CD1 3.54Å; I677-F721 HydrophobicContact CG1-CE1 3.74Å; A717-F721 WeakPolarHBondContact O-CB 3.31Å; A717-F721 PolarHBondContact O-N 2.96Å; S718-F721 PolarHBondContact O-N 3.03Å; R719-F721 VanDerWaalsContact C-N 3.34Å; F721-R723 VanDerWaalsContact C-N 3.33Å; F721-R723 PolarHBondContact O-N 2.8Å; F721-L724 PolarHBondContact O-N 2.87Å; F721-M725 HydrophobicContact CD1-CG 4.01Å; F721-M725 HydrophobicContact CD2-CE 4.11Å; F721-M725 HydrophobicContact CD2-CG 4.05Å; F721-M725 HydrophobicContact CE1-CG 3.69Å; F721-M725 HydrophobicContact CE2-CE 3.82Å; F721-M725 HydrophobicContact CE2-CG 3.74Å; F721-M725 HydrophobicContact CE2-SD 4.14Å; F721-M725 HydrophobicContact CG-CG 4.19Å; F721-M725 HydrophobicContact CZ-CE 4.47Å; F721-M725 HydrophobicContact CZ-CG 3.55Å; F721-M725 HydrophobicContact CZ-SD 4.2Å; F721-M725 WeakPolarHBondContact O-CB 3.27Å; F721-M725 VanDerWaalsContact O-CG 3.28Å; F721-M725 WeakPolarHBondContact O-CG 3.42Å; F721-M725 PolarHBondContact O-N 2.99Å
722L92.8Very high89.8Confident19 Ų1979.9 Ų79.910%0.09939%0.386CS..Hα-helixtrans-63.6-37.6-179.2-68.3166.9000112.4V531 V532 P533 Y675 I677 S718 M725 G726V531-L722 HydrophobicContact CG1-CD1 4.07Å; V532-L722 HydrophobicContact CG2-CD1 4.27Å; P533-L722 HydrophobicContact CG-CD2 4.45Å; Y675-L722 HydrophobicContact CD2-CD2 4.46Å; Y675-L722 HydrophobicContact CE2-CD2 4.03Å; I677-L722 HydrophobicContact CD1-CD1 3.96Å; I677-L722 HydrophobicContact CD1-CD2 4.08Å; I677-L722 HydrophobicContact CD1-CG 3.87Å; S718-L722 WeakPolarHBondContact O-CB 3.28Å; S718-L722 VanDerWaalsContact O-CG 3.29Å; S718-L722 WeakPolarHBondContact O-CG 3.46Å; S718-L722 PolarHBondContact O-N 3.45Å; L722-M725 PolarHBondContact O-N 2.96Å; L722-G726 PolarHBondContact O-N 3.38Å
723R92.2Very high89Confident195 Ų19579 Ų7974%0.73639%0.385SS*.Hα-helixtrans-64.8-40.4175.2-76.3178.3-174.7176.41.3112.6R719 R720 F721R719-R723 WeakPolarHBondContact O-CB 3.42Å; R719-R723 VanDerWaalsContact O-CG 3.28Å; R719-R723 WeakPolarHBondContact O-CG 3.29Å; R719-R723 PolarHBondContact O-N 2.68Å; R720-R723 PolarHBondContact O-N 2.86Å; F721-R723 VanDerWaalsContact C-N 3.33Å; F721-R723 PolarHBondContact O-N 2.8Å
724L92Very high88.2Confident77 Ų7775.9 Ų75.940%0.40337%0.371SS..Hα-helixtrans-62.4-60.3171.2-69169.4000107.7R488 R720 F721 G726 Q727R488-L724 PolarHBondContact NH2-O 3.46Å; R720-L724 HydrophobicContact CG-CD1 4.27Å; R720-L724 WeakPolarHBondContact O-CG 3.38Å; R720-L724 PolarHBondContact O-N 2.75Å; F721-L724 PolarHBondContact O-N 2.87Å; L724-G726 PolarHBondContact O-N 3.37Å; L724-G726 VanDerWaalsContact O-N 3.12Å; L724-Q727 WeakPolarHBondContact O-CB 3.29Å; L724-Q727 WeakPolarHBondContact O-CG 3.48Å; L724-Q727 PolarHBondContact O-N 2.87Å
725M88.7Confident87.4Confident13 Ų1378.8 Ų78.86%0.06439%0.386CS..Hα-helixtrans-56.5-32-172.5-66.2-55.8128.600114.6R488 N489 Y675 F721 L722 Q727R488-M725 HydrophobicContact CG-CE 3.82Å; R488-M725 HydrophobicContact CG-SD 4.04Å; R488-M725 VanDerWaalsContact CZ-CA 3.48Å; R488-M725 PolarHBondContact NE-SD 2.9Å; R488-M725 PolarHBondContact NH1-O 3.44Å; R488-M725 VanDerWaalsContact NH2-CA 3.28Å; N489-M725 WeakPolarHBondContact O-CE 3.41Å; Y675-M725 HydrophobicContact CD1-CB 4.06Å; Y675-M725 HydrophobicContact CD2-CB 3.61Å; Y675-M725 HydrophobicContact CD2-CG 4.07Å; Y675-M725 HydrophobicContact CE1-CB 4.32Å; Y675-M725 HydrophobicContact CE2-CB 3.91Å; Y675-M725 HydrophobicContact CG-CB 3.7Å; Y675-M725 HydrophobicContact CG-CG 4.02Å; F721-M725 HydrophobicContact CD1-CG 4.01Å; F721-M725 HydrophobicContact CD2-CE 4.11Å; F721-M725 HydrophobicContact CD2-CG 4.05Å; F721-M725 HydrophobicContact CE1-CG 3.69Å; F721-M725 HydrophobicContact CE2-CE 3.82Å; F721-M725 HydrophobicContact CE2-CG 3.74Å; F721-M725 HydrophobicContact CE2-SD 4.14Å; F721-M725 HydrophobicContact CG-CG 4.19Å; F721-M725 HydrophobicContact CZ-CE 4.47Å; F721-M725 HydrophobicContact CZ-CG 3.55Å; F721-M725 HydrophobicContact CZ-SD 4.2Å; F721-M725 WeakPolarHBondContact O-CB 3.27Å; F721-M725 VanDerWaalsContact O-CG 3.28Å; F721-M725 WeakPolarHBondContact O-CG 3.42Å; F721-M725 PolarHBondContact O-N 2.99Å; L722-M725 PolarHBondContact O-N 2.96Å; M725-Q727 PolarHBondContact O-N 2.9Å
726G86.1Confident86.3Confident57 Ų5780.4 Ų80.459%0.58840%0.404SS*.THydrogen-bonded Turntrans-69.6-6.6176.600000115.7L722 L724L722-G726 PolarHBondContact O-N 3.38Å; L724-G726 PolarHBondContact O-N 3.37Å; L724-G726 VanDerWaalsContact O-N 3.12Å
727Q88.5Confident85.6Confident119 Ų11979.7 Ų79.756%0.55640%0.403SS*.SBendtrans-69.7146.6171-67.2178.5-14.300111.3L724 M725 F729L724-Q727 WeakPolarHBondContact O-CB 3.29Å; L724-Q727 WeakPolarHBondContact O-CG 3.48Å; L724-Q727 PolarHBondContact O-N 2.87Å; M725-Q727 PolarHBondContact O-N 2.9Å; Q727-F729 PolarHBondContact O-N 3.42Å
728P84.7Confident84.7Confident116 Ų11679 Ų7975%0.75340%0.397SS*.  trans-59.5130.5177.526-34.2000110.1
729F81.9Confident84.1Confident59 Ų5979.9 Ų79.926%0.25940%0.402SS..  trans-115.8104.3-179.6-173.6-129.8000109A487 R488 Q727 D733 Q734A487-F729 HydrophobicContact CB-CZ 4.09Å; R488-F729 HydrophobicContact CB-CE2 4.16Å; R488-F729 HydrophobicContact CB-CZ 4.01Å; Q727-F729 PolarHBondContact O-N 3.42Å; F729-D733 HydrophobicContact CD2-CB 4.22Å; F729-D733 HydrophobicContact CE2-CB 3.79Å; F729-Q734 HydrophobicContact CE1-CG 3.55Å; F729-Q734 HydrophobicContact CE2-CG 4.36Å; F729-Q734 HydrophobicContact CZ-CG 3.44Å; F729-Q734 VanDerWaalsContact CZ-CG 3.44Å
730N81.3Confident83.5Confident99 Ų9974.7 Ų74.753%0.52938%0.383SS..  trans-83.7152.2-173.6-71.6-31.4000110.5N732 D733N730-N732 PolarHBondContact O-N 3.39Å; N730-D733 PolarHBondContact N-OD2 3.44Å; N730-D733 WeakPolarHBondContact O-CB 3.4Å; N730-D733 PolarHBondContact O-N 3.39Å; N730-D733 VanDerWaalsContact O-N 3.14Å
731K76.5Confident83.1Confident154 Ų15467.4 Ų67.467%0.6736%0.359SS*.G310 helixtrans-58.3-32.5177.3-67.2-178.4179.5179.40112.3D733 Q734 L735K731-D733 PolarHBondContact O-N 3.48Å; K731-Q734 WeakPolarHBondContact O-CB 3.4Å; K731-Q734 PolarHBondContact O-N 3.27Å; K731-Q734 VanDerWaalsContact O-N 3.09Å; K731-L735 PolarHBondContact O-N 2.85Å
732N77.5Confident82.4Confident122 Ų12274 Ų7465%0.65238%0.384SS*.G310 helixtrans-60.7-32.4179.9-64.3-11.8000112.7N730 Q734 L735N730-N732 PolarHBondContact O-N 3.39Å; N732-Q734 PolarHBondContact O-N 3.42Å; N732-L735 PolarHBondContact O-N 3.36Å
733D77.3Confident81.8Confident88 Ų8879.7 Ų79.747%0.47141%0.41SS..G310 helixtrans-70.3-18.3-179.7-53.9-35.3000112.1F729 N730 K731F729-D733 HydrophobicContact CD2-CB 4.22Å; F729-D733 HydrophobicContact CE2-CB 3.79Å; N730-D733 PolarHBondContact N-OD2 3.44Å; N730-D733 WeakPolarHBondContact O-CB 3.4Å; N730-D733 PolarHBondContact O-N 3.39Å; N730-D733 VanDerWaalsContact O-N 3.14Å; K731-D733 PolarHBondContact O-N 3.48Å
734Q77.3Confident81.3Confident15 Ų1572.9 Ų72.97%0.0739%0.386CS..G310 helixtrans-92.7-22.4179.2-63.3179.637.800112.8A487 F729 K731 N732 G736 L737 A738 L739A487-Q734 HydrophobicContact CB-CG 4.29Å; F729-Q734 HydrophobicContact CE1-CG 3.55Å; F729-Q734 HydrophobicContact CE2-CG 4.36Å; F729-Q734 HydrophobicContact CZ-CG 3.44Å; F729-Q734 VanDerWaalsContact CZ-CG 3.44Å; K731-Q734 WeakPolarHBondContact O-CB 3.4Å; K731-Q734 PolarHBondContact O-N 3.27Å; K731-Q734 VanDerWaalsContact O-N 3.09Å; N732-Q734 PolarHBondContact O-N 3.42Å; Q734-G736 PolarHBondContact O-N 2.82Å; Q734-L737 PolarHBondContact O-N 3.4Å; Q734-A738 HydrophobicContact CB-CB 4.32Å; Q734-A738 PolarHBondContact O-N 2.97Å; Q734-L739 HydrophobicContact CB-CB 4.21Å; Q734-L739 HydrophobicContact CB-CD1 3.7Å; Q734-L739 HydrophobicContact CB-CG 3.94Å; Q734-L739 HydrophobicContact CG-CD1 4.48Å; Q734-L739 PolarHBondContact O-N 3.37Å
735L78.4Confident80.6Confident62 Ų6269.4 Ų69.433%0.32537%0.368SS..BIsolated β-bridgetrans-63.7128.3-174.8-67.8175.7000110.7Y16 K731 N732 L737 L739 T741Y16-L735 HydrophobicContact CD1-CD2 3.77Å; Y16-L735 HydrophobicContact CE1-CD2 3.44Å; Y16-L735 VanDerWaalsContact CE1-CD2 3.44Å; K731-L735 PolarHBondContact O-N 2.85Å; N732-L735 PolarHBondContact O-N 3.36Å; L735-L737 VanDerWaalsContact C-N 3.3Å; L735-L737 PolarHBondContact O-N 3.3Å; L735-L739 HydrophobicContact CD2-CB 4.25Å; L735-T741 HydrophobicContact CD2-CG2 4.15Å
736G71.6Confident80.2Confident38 Ų3872.4 Ų72.439%0.39238%0.384SS..THydrogen-bonded Turntrans89.1-17.1179.900000114.7Q734 L739Q734-G736 PolarHBondContact O-N 2.82Å; G736-L739 PolarHBondContact N-O 2.95Å
737L79.2Confident80Confident106 Ų10675.4 Ų75.456%0.55538%0.381SS*.THydrogen-bonded Turntrans-110.3-72.4175.3-67.5173.9000111.1P19 A487 Q734 L735P19-L737 WeakPolarHBondContact CG-O 3.2Å; A487-L737 HydrophobicContact CB-CB 4.41Å; Q734-L737 PolarHBondContact O-N 3.4Å; L735-L737 VanDerWaalsContact C-N 3.3Å; L735-L737 PolarHBondContact O-N 3.3Å
738A77Confident79.5Confident1 Ų171.8 Ų71.81%0.00837%0.365CS..THydrogen-bonded Turntrans-92-29.4-174.700000112.6Y18 P19 A487 K672 Q734Y18-A738 WeakPolarHBondContact CD1-O 3.37Å; P19-A738 VanDerWaalsContact CD-O 3.23Å; P19-A738 WeakPolarHBondContact CD-O 3.39Å; A487-A738 HydrophobicContact CB-CB 3.89Å; K672-A738 HydrophobicContact CD-CB 3.92Å; K672-A738 PolarHBondContact NZ-O 3Å; K672-A738 VanDerWaalsContact NZ-O 3.15Å; Q734-A738 HydrophobicContact CB-CB 4.32Å; Q734-A738 PolarHBondContact O-N 2.97Å
739L81.3Confident79Confident19 Ų1967.7 Ų67.710%0.09934%0.337CS..BIsolated β-bridgetrans-114.3126.8175.5-74.3172.1000110Y16 Y18 Q734 L735 G736Y16-L739 HydrophobicContact CG-CD2 4.37Å; Y18-L739 HydrophobicContact CD1-CD2 3.73Å; Y18-L739 HydrophobicContact CE1-CD2 3.38Å; Y18-L739 HydrophobicContact CE1-CG 4.22Å; Q734-L739 HydrophobicContact CB-CB 4.21Å; Q734-L739 HydrophobicContact CB-CD1 3.7Å; Q734-L739 HydrophobicContact CB-CG 3.94Å; Q734-L739 HydrophobicContact CG-CD1 4.48Å; Q734-L739 PolarHBondContact O-N 3.37Å; L735-L739 HydrophobicContact CD2-CB 4.25Å; G736-L739 PolarHBondContact N-O 2.95Å
740L82.1Confident78.6Confident10 Ų1069.8 Ų69.85%0.05235%0.347CS..BIsolated β-bridgetrans-106.8134.9177.2-57.4176.3000110I17 P19 H744 I745 L748I17-L740 HydrophobicContact CG2-CB 3.88Å; I17-L740 PolarHBondContact N-O 2.87Å; I17-L740 VanDerWaalsContact N-O 3.11Å; I17-L740 WeakPolarHBondContact O-CB 3.36Å; I17-L740 PolarHBondContact O-N 3.41Å; P19-L740 HydrophobicContact CB-CD1 4.02Å; P19-L740 HydrophobicContact CG-CD1 3.8Å; P19-L740 HydrophobicContact CG-CD2 4.31Å; P19-L740 HydrophobicContact CG-CG 3.94Å; L740-H744 HydrophobicContact CB-CB 4.21Å; L740-H744 HydrophobicContact CD2-CB 3.95Å; L740-I745 HydrophobicContact CB-CG1 4.27Å; L740-L748 HydrophobicContact CD1-CD1 3.59Å; L740-L748 HydrophobicContact CD2-CD1 4.39Å
741T84.7Confident78.4Confident32 Ų3270.1 Ų70.120%0.19635%0.346CS..  trans-90.8170.6168.660.30000109.5Y16 L735 E743 H744 I745Y16-T741 HydrophobicContact CD1-CG2 3.99Å; Y16-T741 HydrophobicContact CE1-CG2 3.83Å; L735-T741 HydrophobicContact CD2-CG2 4.15Å; T741-E743 PolarHBondContact O-N 3.32Å; T741-H744 PolarHBondContact O-N 3.02Å; T741-H744 VanDerWaalsContact O-N 3.09Å; T741-H744 PolarHBondContact OG1-ND1 3.09Å; T741-I745 WeakPolarHBondContact O-CG1 3.39Å; T741-I745 PolarHBondContact O-N 3.31Å; T741-I745 VanDerWaalsContact O-N 3.08Å
742R79.1Confident78.1Confident154 Ų15466.1 Ų66.158%0.58133%0.332SS*.Hα-helixtrans-53.6-39.8175.5-171.8178.8-179.6-171.8-2.7113.1M1 I745 N746M1-R742 HydrophobicContact SD-CB 4.04Å; R742-I745 PolarHBondContact O-N 2.96Å; R742-N746 PolarHBondContact O-N 3.48Å; R742-N746 VanDerWaalsContact O-N 3.08Å
743E81.2Confident77.6Confident137 Ų13765.6 Ų65.664%0.6433%0.325SS*.Hα-helixtrans-66.7-39.9178.6-64.1-177.1176.900112.2T741 I745 N746 K747T741-E743 PolarHBondContact O-N 3.32Å; E743-I745 VanDerWaalsContact C-N 3.32Å; E743-I745 PolarHBondContact O-N 3.26Å; E743-N746 PolarHBondContact O-N 3.48Å; E743-K747 WeakPolarHBondContact O-CG 3.26Å; E743-K747 PolarHBondContact O-N 3.43Å; E743-K747 VanDerWaalsContact O-N 3.1Å
744H81.6Confident77.2Confident52 Ų5267.4 Ų67.424%0.24133%0.329CS..Hα-helixtrans-64.3-38.6175.9-62.3154.3000111.7L740 T741 K747 L748L740-H744 HydrophobicContact CB-CB 4.21Å; L740-H744 HydrophobicContact CD2-CB 3.95Å; T741-H744 PolarHBondContact O-N 3.02Å; T741-H744 VanDerWaalsContact O-N 3.09Å; T741-H744 PolarHBondContact OG1-ND1 3.09Å; H744-K747 PolarHBondContact O-N 3.2Å; H744-L748 WeakPolarHBondContact O-CG 3.36Å; H744-L748 PolarHBondContact O-N 3.21Å
745I77.7Confident76.8Confident4 Ų471.4 Ų71.42%0.02135%0.351CS..Hα-helixtrans-64.2-44.6175.9-61.4166.5000110.8M1 I3 I17 Y22 L740 T741 R742 E743 K747 L748 I749M1-I745 HydrophobicContact CE-CD1 3.51Å; M1-I745 HydrophobicContact SD-CD1 3.78Å; I3-I745 HydrophobicContact CD1-CD1 4.38Å; I3-I745 HydrophobicContact CG1-CD1 4.26Å; I3-I745 HydrophobicContact CG2-CD1 4.39Å; I3-I745 HydrophobicContact CG2-CG2 4.33Å; I17-I745 HydrophobicContact CG2-CD1 3.52Å; I17-I745 HydrophobicContact CG2-CG1 4.06Å; Y22-I745 HydrophobicContact CD2-CG2 4.37Å; Y22-I745 HydrophobicContact CE2-CG2 3.99Å; L740-I745 HydrophobicContact CB-CG1 4.27Å; T741-I745 WeakPolarHBondContact O-CG1 3.39Å; T741-I745 PolarHBondContact O-N 3.31Å; T741-I745 VanDerWaalsContact O-N 3.08Å; R742-I745 PolarHBondContact O-N 2.96Å; E743-I745 VanDerWaalsContact C-N 3.32Å; E743-I745 PolarHBondContact O-N 3.26Å; I745-K747 VanDerWaalsContact C-N 3.29Å; I745-K747 PolarHBondContact O-N 2.95Å; I745-L748 WeakPolarHBondContact O-CB 3.3Å; I745-L748 PolarHBondContact O-N 3.06Å; I745-L748 VanDerWaalsContact O-N 3.1Å; I745-I749 HydrophobicContact CG2-CD1 3.87Å; I745-I749 HydrophobicContact CG2-CG1 4.34Å; I745-I749 WeakPolarHBondContact O-CG1 3.48Å; I745-I749 PolarHBondContact O-N 3.47Å
746N79.7Confident75.9Confident77 Ų7771.1 Ų71.141%0.41235%0.354SS..Hα-helixtrans-60-41.1177.8-70.8-13.8000111.5R742 E743 L748 I749 E750R742-N746 PolarHBondContact O-N 3.48Å; R742-N746 VanDerWaalsContact O-N 3.08Å; E743-N746 PolarHBondContact O-N 3.48Å; N746-L748 PolarHBondContact O-N 2.84Å; N746-I749 PolarHBondContact O-N 3.47Å; N746-E750 WeakPolarHBondContact O-CG 3.18Å; N746-E750 PolarHBondContact O-N 3.01Å
747K81Confident75.5Confident119 Ų11975 Ų7552%0.51737%0.365SS..Hα-helixtrans-61.8-41173.5-70.5177.7-177.5176.40112.5E743 H744 I745 E750 Q751E743-K747 WeakPolarHBondContact O-CG 3.26Å; E743-K747 PolarHBondContact O-N 3.43Å; E743-K747 VanDerWaalsContact O-N 3.1Å; H744-K747 PolarHBondContact O-N 3.2Å; I745-K747 VanDerWaalsContact C-N 3.29Å; I745-K747 PolarHBondContact O-N 2.95Å; K747-E750 PolarHBondContact O-N 2.66Å; K747-Q751 WeakPolarHBondContact O-CB 3.39Å; K747-Q751 VanDerWaalsContact O-CG 3.31Å; K747-Q751 WeakPolarHBondContact O-CG 3.29Å; K747-Q751 PolarHBondContact O-N 3.35Å
748L77.6Confident74.6Confident44 Ų4474.5 Ų74.523%0.2336%0.361CS..Hα-helixtrans-64.4-39.2175.1-76.7164.3000112L740 H744 I745 N746 Q751 N752L740-L748 HydrophobicContact CD1-CD1 3.59Å; L740-L748 HydrophobicContact CD2-CD1 4.39Å; H744-L748 WeakPolarHBondContact O-CG 3.36Å; H744-L748 PolarHBondContact O-N 3.21Å; I745-L748 WeakPolarHBondContact O-CB 3.3Å; I745-L748 PolarHBondContact O-N 3.06Å; I745-L748 VanDerWaalsContact O-N 3.1Å; N746-L748 PolarHBondContact O-N 2.84Å; L748-Q751 PolarHBondContact O-N 2.94Å; L748-N752 WeakPolarHBondContact O-CB 3.44Å; L748-N752 VanDerWaalsContact O-CG 3.24Å; L748-N752 PolarHBondContact O-N 2.81Å; L748-N752 PolarHBondContact O-ND2 3.43Å
749I74.7Confident73.5Confident29 Ų2977.1 Ų77.115%0.14938%0.38CS..Hα-helixtrans-62.9-46.3174.9-67.3166.4000110.1N4 Y22 I745 N746 Q751 N752 Q753N4-I749 HydrophobicContact CB-CD1 4.49Å; Y22-I749 WeakPolarHBondContact OH-CG1 3.48Å; I745-I749 HydrophobicContact CG2-CD1 3.87Å; I745-I749 HydrophobicContact CG2-CG1 4.34Å; I745-I749 WeakPolarHBondContact O-CG1 3.48Å; I745-I749 PolarHBondContact O-N 3.47Å; N746-I749 PolarHBondContact O-N 3.47Å; I749-Q751 VanDerWaalsContact C-N 3.33Å; I749-Q751 PolarHBondContact O-N 3.08Å; I749-N752 PolarHBondContact O-N 3.44Å; I749-Q753 WeakPolarHBondContact O-CB 3.25Å; I749-Q753 WeakPolarHBondContact O-CG 3.41Å; I749-Q753 PolarHBondContact O-N 2.9Å
750E74.7Confident71.9Confident104 Ų10482.6 Ų82.649%0.48641%0.406SS..Hα-helixtrans-61.6-39.8176.6-73.3175.4-165.100112.4N746 K747 Q753 K754N746-E750 WeakPolarHBondContact O-CG 3.18Å; N746-E750 PolarHBondContact O-N 3.01Å; K747-E750 PolarHBondContact O-N 2.66Å; E750-Q753 PolarHBondContact O-N 2.65Å; E750-K754 VanDerWaalsContact O-CG 3.32Å; E750-K754 WeakPolarHBondContact O-CG 3.5Å; E750-K754 PolarHBondContact O-N 3.28Å
751Q75.6Confident70.1Confident106 Ų10684 Ų8450%0.49542%0.423SS..Hα-helixtrans-63.5-48.8174.8-75.9174.1-11.800111.3K747 L748 I749 Q753 K754 D755K747-Q751 WeakPolarHBondContact O-CB 3.39Å; K747-Q751 VanDerWaalsContact O-CG 3.31Å; K747-Q751 WeakPolarHBondContact O-CG 3.29Å; K747-Q751 PolarHBondContact O-N 3.35Å; L748-Q751 PolarHBondContact O-N 2.94Å; I749-Q751 VanDerWaalsContact C-N 3.33Å; I749-Q751 PolarHBondContact O-N 3.08Å; Q751-Q753 VanDerWaalsContact C-N 3.28Å; Q751-Q753 PolarHBondContact O-N 3.39Å; Q751-K754 WeakPolarHBondContact O-CB 3.44Å; Q751-K754 PolarHBondContact O-N 3.22Å; Q751-K754 VanDerWaalsContact O-N 3.1Å; Q751-D755 PolarHBondContact O-N 2.99Å
752N70.1Confident68.6Low70 Ų7089.1 Ų89.137%0.37444%0.443SS..Hα-helixtrans-61.8-35.4177.8-71.8-24.7000112.5L748 I749 S756L748-N752 WeakPolarHBondContact O-CB 3.44Å; L748-N752 VanDerWaalsContact O-CG 3.24Å; L748-N752 PolarHBondContact O-N 2.81Å; L748-N752 PolarHBondContact O-ND2 3.43Å; I749-N752 PolarHBondContact O-N 3.44Å; N752-S756 WeakPolarHBondContact O-CB 3.33Å; N752-S756 PolarHBondContact O-N 2.93Å; N752-S756 PolarHBondContact O-OG 3.49Å
753Q67.8Low66.8Low110 Ų11088 Ų8851%0.51445%0.446SS..Hα-helixtrans-67.4-41.4173.8-74.8177.1-2.600111.8I749 E750 Q751 S756 I757I749-Q753 WeakPolarHBondContact O-CB 3.25Å; I749-Q753 WeakPolarHBondContact O-CG 3.41Å; I749-Q753 PolarHBondContact O-N 2.9Å; E750-Q753 PolarHBondContact O-N 2.65Å; Q751-Q753 VanDerWaalsContact C-N 3.28Å; Q751-Q753 PolarHBondContact O-N 3.39Å; Q753-S756 WeakPolarHBondContact CA-OG 3.19Å; Q753-S756 PolarHBondContact O-OG 3.35Å; Q753-I757 WeakPolarHBondContact O-CD1 3.27Å; Q753-I757 WeakPolarHBondContact O-CG1 3.33Å; Q753-I757 PolarHBondContact O-N 3.34Å; Q753-I757 VanDerWaalsContact O-N 3.1Å
754K68.6Low65Low127 Ų12786.2 Ų86.255%0.55244%0.441SS*.Hα-helixtrans-63.4-44174.2-73.5171.8-177.6174.20111.6E750 Q751 S756 I757 I758E750-K754 VanDerWaalsContact O-CG 3.32Å; E750-K754 WeakPolarHBondContact O-CG 3.5Å; E750-K754 PolarHBondContact O-N 3.28Å; Q751-K754 WeakPolarHBondContact O-CB 3.44Å; Q751-K754 PolarHBondContact O-N 3.22Å; Q751-K754 VanDerWaalsContact O-N 3.1Å; K754-S756 PolarHBondContact O-N 3.46Å; K754-I757 PolarHBondContact O-N 2.6Å; K754-I758 WeakPolarHBondContact O-CD1 3.19Å; K754-I758 VanDerWaalsContact O-CG1 3.24Å; K754-I758 WeakPolarHBondContact O-CG1 3.43Å; K754-I758 PolarHBondContact O-N 3.42Å
755D69.1Low63.3Low99 Ų9987 Ų8753%0.52945%0.452SS..Hα-helixtrans-67.9-35.4-179.4-70.8-17.7000112.7Q751 I758 S759Q751-D755 PolarHBondContact O-N 2.99Å; D755-I758 PolarHBondContact O-N 3.29Å; D755-S759 WeakPolarHBondContact O-CB 3.32Å; D755-S759 PolarHBondContact O-N 2.62Å; D755-S759 PolarHBondContact O-OG 3.06Å
756S60.7Low61.7Low55 Ų5590.8 Ų90.839%0.38548%0.478SS..Hα-helixtrans-68.3-38.4173.843.30000112.3N752 Q753 K754 S759 M760N752-S756 WeakPolarHBondContact O-CB 3.33Å; N752-S756 PolarHBondContact O-N 2.93Å; N752-S756 PolarHBondContact O-OG 3.49Å; Q753-S756 WeakPolarHBondContact CA-OG 3.19Å; Q753-S756 PolarHBondContact O-OG 3.35Å; K754-S756 PolarHBondContact O-N 3.46Å; S756-S759 WeakPolarHBondContact CA-OG 3.45Å; S756-S759 PolarHBondContact O-N 3.26Å; S756-S759 PolarHBondContact O-OG 3.06Å; S756-M760 PolarHBondContact O-N 2.99Å
757I61.6Low59.9Low121 Ų12193.6 Ų93.662%0.62149%0.489SS*.Hα-helixtrans-65-41.3172.9-65.2163.2000111Q753 K754 G761Q753-I757 WeakPolarHBondContact O-CD1 3.27Å; Q753-I757 WeakPolarHBondContact O-CG1 3.33Å; Q753-I757 PolarHBondContact O-N 3.34Å; Q753-I757 VanDerWaalsContact O-N 3.1Å; K754-I757 PolarHBondContact O-N 2.6Å; I757-G761 PolarHBondContact O-N 2.64Å
758I61.2Low58.2Low94 Ų9492.5 Ų92.548%0.48249%0.492SS..Hα-helixtrans-65.8-40.5178.1-67.2163.1000111.3K754 D755 G761 K762K754-I758 WeakPolarHBondContact O-CD1 3.19Å; K754-I758 VanDerWaalsContact O-CG1 3.24Å; K754-I758 WeakPolarHBondContact O-CG1 3.43Å; K754-I758 PolarHBondContact O-N 3.42Å; D755-I758 PolarHBondContact O-N 3.29Å; I758-G761 PolarHBondContact O-N 2.78Å; I758-K762 PolarHBondContact O-N 2.88Å
759S54.2Low56.6Low57 Ų5793.8 Ų93.840%0.39951%0.509SS..Hα-helixtrans-69.3-39178.761.80000112.6D755 S756 K762 M763D755-S759 WeakPolarHBondContact O-CB 3.32Å; D755-S759 PolarHBondContact O-N 2.62Å; D755-S759 PolarHBondContact O-OG 3.06Å; S756-S759 WeakPolarHBondContact CA-OG 3.45Å; S756-S759 PolarHBondContact O-N 3.26Å; S756-S759 PolarHBondContact O-OG 3.06Å; S759-K762 PolarHBondContact O-N 3.47Å; S759-M763 PolarHBondContact O-N 3.01Å; S759-M763 VanDerWaalsContact O-N 3.17Å
760M47.3Very low55.1Low133 Ų13399 Ų9966%0.65554%0.537SS*.Hα-helixtrans-66.5-38.7171.1-76.7-174.7169.900112.4S756 K762 M763 N764S756-M760 PolarHBondContact O-N 2.99Å; M760-K762 VanDerWaalsContact C-N 3.35Å; M760-K762 PolarHBondContact O-N 2.7Å; M760-M763 PolarHBondContact O-N 3.22Å; M760-N764 PolarHBondContact O-N 2.98Å
761G45.2Very low53.5Low40 Ų40100.9 Ų100.941%0.41255%0.55SS.*Hα-helixtrans-62.1-39.2174.700000112.9I757 I758 N764 S765I757-G761 PolarHBondContact O-N 2.64Å; I758-G761 PolarHBondContact O-N 2.78Å; G761-N764 PolarHBondContact O-N 2.88Å; G761-S765 WeakPolarHBondContact O-CB 3.44Å; G761-S765 PolarHBondContact O-N 3.25Å; G761-S765 PolarHBondContact O-OG 3.21Å
762K51.3Low51.8Low140 Ų140102.1 Ų102.161%0.60956%0.56SS**Hα-helixtrans-67.4-38.9175.3-79.8-177.7177.6179.40112.9I758 S759 M760 S765 C766I758-K762 PolarHBondContact O-N 2.88Å; S759-K762 PolarHBondContact O-N 3.47Å; M760-K762 VanDerWaalsContact C-N 3.35Å; M760-K762 PolarHBondContact O-N 2.7Å; K762-S765 WeakPolarHBondContact CA-OG 3.21Å; K762-S765 PolarHBondContact O-N 2.88Å; K762-S765 PolarHBondContact O-OG 3.01Å; K762-C766 PolarHBondContact O-N 3.25Å; K762-C766 VanDerWaalsContact O-N 3.12Å
763M41.3Very low50.2Low130 Ų130106.1 Ų106.164%0.6458%0.581SS**Hα-helixtrans-66.6-41.5175.2-70.3-170.4-153.800112S759 M760 C766 Q767S759-M763 PolarHBondContact O-N 3.01Å; S759-M763 VanDerWaalsContact O-N 3.17Å; M760-M763 PolarHBondContact O-N 3.22Å; M763-C766 PolarHBondContact O-N 3.2Å; M763-Q767 PolarHBondContact O-N 3.38Å; M763-Q767 VanDerWaalsContact O-N 3.15Å
764N44.4Very low48.5Very low99 Ų99106.4 Ų106.453%0.52959%0.593SS.*Hα-helixtrans-69.1-35.6177.3-73.1-8.8000112.3M760 G761 C766 Q767 V768M760-N764 PolarHBondContact O-N 2.98Å; G761-N764 PolarHBondContact O-N 2.88Å; N764-C766 VanDerWaalsContact C-N 3.33Å; N764-C766 PolarHBondContact O-N 3.01Å; N764-Q767 PolarHBondContact O-N 3.47Å; N764-V768 VanDerWaalsContact O-CG2 3.3Å; N764-V768 WeakPolarHBondContact O-CG2 3.32Å; N764-V768 PolarHBondContact O-N 3.33Å
765S45.9Very low47Very low68 Ų68106.3 Ų106.348%0.47660%0.603SS.*Hα-helixtrans-68.5-29.6174.261.20000113.5G761 K762 A769G761-S765 WeakPolarHBondContact O-CB 3.44Å; G761-S765 PolarHBondContact O-N 3.25Å; G761-S765 PolarHBondContact O-OG 3.21Å; K762-S765 WeakPolarHBondContact CA-OG 3.21Å; K762-S765 PolarHBondContact O-N 2.88Å; K762-S765 PolarHBondContact O-OG 3.01Å; S765-A769 VanDerWaalsContact O-CB 3.29Å; S765-A769 WeakPolarHBondContact O-CB 3.44Å; S765-A769 PolarHBondContact O-N 2.99Å
766C44.4Very low45.4Very low85 Ų85108.1 Ų108.157%0.57461%0.612SS**Hα-helixtrans-77.7-25.4175.3-790000113.3K762 M763 N764K762-C766 PolarHBondContact O-N 3.25Å; K762-C766 VanDerWaalsContact O-N 3.12Å; M763-C766 PolarHBondContact O-N 3.2Å; N764-C766 VanDerWaalsContact C-N 3.33Å; N764-C766 PolarHBondContact O-N 3.01Å
767Q41.7Very low44.1Very low135 Ų135113.4 Ų113.463%0.63163%0.631SS**Hα-helixtrans-79.9-38.6173.4-74.3-176.8-22.500111.9M763 N764 A769 N770M763-Q767 PolarHBondContact O-N 3.38Å; M763-Q767 VanDerWaalsContact O-N 3.15Å; N764-Q767 PolarHBondContact O-N 3.47Å; Q767-A769 PolarHBondContact O-N 3.03Å; Q767-N770 PolarHBondContact O-N 3.49Å
768V45.1Very low42.7Very low96 Ų96112.7 Ų112.758%0.58264%0.637SS**Hα-helixtrans-73.7-25.8178.8179.90000112.6N764 N770N764-V768 VanDerWaalsContact O-CG2 3.3Å; N764-V768 WeakPolarHBondContact O-CG2 3.32Å; N764-V768 PolarHBondContact O-N 3.33Å; V768-N770 VanDerWaalsContact C-N 3.3Å; V768-N770 PolarHBondContact O-N 2.97Å
769A44Very low41.5Very low71 Ų71120.2 Ų120.259%0.58766%0.659SS**THydrogen-bonded Turntrans-74.3-15.4175.500000114.2S765 Q767S765-A769 VanDerWaalsContact O-CB 3.29Å; S765-A769 WeakPolarHBondContact O-CB 3.44Å; S765-A769 PolarHBondContact O-N 2.99Å; Q767-A769 PolarHBondContact O-N 3.03Å
770N42.4Very low40.6Very low138 Ų138123.5 Ų123.574%0.73868%0.677SS**THydrogen-bonded Turntrans-93.8-9.8179.1-80.9-16.6000114.1Q767 V768Q767-N770 PolarHBondContact O-N 3.49Å; V768-N770 VanDerWaalsContact C-N 3.3Å; V768-N770 PolarHBondContact O-N 2.97Å
771D41.9Very low40.2Very low144 Ų144124.3 Ų124.377%0.7769%0.689SS**SBendtrans-99.46.8-179.3-74.7-25.7000113.9
772L40.2Very low39.7Very low133 Ų133127.7 Ų127.770%0.69670%0.702SS**SBendtrans-120.661.1178.8-76.9159.5000111.2
773N36.1Very low39Very low154 Ų154127 Ų12782%0.82471%0.709SS**  trans-162.688160.1-107.6-18.1000112.1
774P32.1Very low38.8Very low116 Ų116124.8 Ų124.875%0.75371%0.712SS**  trans-99.692.3167.833.9-21.4000108.8
775T36.7Very low38.5Very low125 Ų125129.1 Ų129.177%0.76773%0.731SS**  trans170.499.5153.542.10000111
776N34.7Very low38.2Very low137 Ų137131.6 Ų131.673%0.73374%0.744SS**  164.2108.7120.4-93.8-22.9000112.6
777Q35.1Very low37.9Very low165 Ų165135.2 Ų135.277%0.77176%0.756SS**  58.994.6127.9-64-179.3-4.500119.4
778S31.9Very low38Very low106 Ų106141.9 Ų141.974%0.74178%0.783SS**  42.3111.1120.763.50000119.4
779R35.7Very low37.6Very low253 Ų253144.2 Ų144.296%0.95579%0.793SS**  -165.5118.4121.9-105.2168.8-173.2-168.72.5111.8
780T35.1Very low37.3Very low125 Ų125148.1 Ų148.177%0.76780%0.804SS**  trans-64.5133.6173.73.90000112.1
781V39.1Very low37Very low150 Ų150148.6 Ų148.691%0.90981%0.808SS**  trans-138.6109.2147.9-178.80000108.2
782T34.4Very low36.7Very low112 Ų112148.9 Ų148.969%0.68781%0.81SS**  trans-92.6152.1174.2-38.80000109.1
783T37.4Very low36.5Very low124 Ų124149.9 Ų149.976%0.76182%0.817SS**  trans114.799.8142.2-350000117.1
784A37.2Very low36.5Very low85 Ų85149.6 Ų149.670%0.70282%0.817SS**  47130.6129.900000121.6
785M37.1Very low36.8Very low190 Ų190152 Ų15294%0.93682%0.822SS**  -163.8118.6120.1-105.7179.9-172.100113.2
786T40.4Very low36.8Very low119 Ų119154.1 Ų154.173%0.7383%0.826SS**  trans-16.8139.3151.33.90000120.7
787L38.2Very low37Very low161 Ų161155.5 Ų155.584%0.84383%0.834SS**  trans46.3118.5136.2-83.5159.2000121.1
788K42.2Very low37.2Very low276 Ų276154.6 Ų154.6100%1.284%0.839SS**  trans-129.30133.3-106.4-172.4-178.4179.20109.1

Retrieved 788 of 788 residues in 275.9 ms (Link to these results)

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