A0A077ZBN5_TRITR Loading...

Pescadillo homolog

Required for maturation of ribosomal RNAs and formation of the large ribosomal subunit.

AlphaFold DB , UniProt , Accession A0A077ZBN5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 568 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
1M58.6Low76.2Confident224 Ų224123.1 Ų123.1100%1.10363%0.634SS**  000-101.7-155.5-143.500110.2M3M1-M3 PolarHBondContact O-N 3.28Å
2G77.6Confident76.6Confident72 Ų72114.5 Ų114.574%0.74260%0.595SS**  00000000112.4R4G2-R4 PolarHBondContact O-N 2.58Å; G2-R4 VanDerWaalsContact O-N 3.16Å
3M76.4Confident77.3Confident197 Ų197110.9 Ų110.997%0.9758%0.581SS**  0109.40-94.2-172.2-10700111.4M1 K5M1-M3 PolarHBondContact O-N 3.28Å; M3-K5 PolarHBondContact O-N 3.47Å
4R76.3Confident78.2Confident183 Ų183108.6 Ų108.669%0.69157%0.57SS**PPolyproline II helixtrans-62.1128.2177.3-69.8-175179.8175.2-1.8110.2G2 K6G2-R4 PolarHBondContact O-N 2.58Å; G2-R4 VanDerWaalsContact O-N 3.16Å; R4-K6 PolarHBondContact O-N 3.25Å
5K79.3Confident79.2Confident149 Ų149104.1 Ų104.165%0.64854%0.542SS*.PPolyproline II helixtrans-58.5134.3176.1-71.4-175-178.9179.40110.8M3 Y7 E8M3-K5 PolarHBondContact O-N 3.47Å; K5-Y7 PolarHBondContact O-N 3.39Å; K5-E8 HydrophobicContact CB-CB 4.4Å; K5-E8 HydrophobicContact CB-CG 3.77Å; K5-E8 WeakPolarHBondContact CB-OE2 3.44Å; K5-E8 WeakPolarHBondContact CD-OE1 3.21Å; K5-E8 PolarHBondContact O-N 3.4Å
6K75.6Confident80Confident178 Ų17897.8 Ų97.877%0.77451%0.509SS*.THydrogen-bonded Turntrans-54.80177.2-76.7-175-174.5178.20111R4 E8R4-K6 PolarHBondContact O-N 3.25Å; K6-E8 PolarHBondContact O-N 3.37Å
7Y79.8Confident80.7Confident103 Ų10392.3 Ų92.340%0.40448%0.481SS..THydrogen-bonded Turn08.70-55.1-65.5000110.7K5 S9 A12 K51 K54K5-Y7 PolarHBondContact O-N 3.39Å; Y7-S9 VanDerWaalsContact C-N 3.25Å; Y7-A12 HydrophobicContact CD1-CB 4.47Å; Y7-K51 VanDerWaalsContact CD1-O 3.31Å; Y7-K51 WeakPolarHBondContact CD1-O 3.45Å; Y7-K54 HydrophobicContact CD1-CG 4.38Å; Y7-K54 HydrophobicContact CD2-CG 4.48Å; Y7-K54 HydrophobicContact CG-CG 4.21Å
8E78.2Confident81.4Confident116 Ų11692.6 Ų92.654%0.54248%0.475SS..SBendtrans-98.5-2.5179.7-78.8-171.2171.600109.9K5 K6 T13K5-E8 HydrophobicContact CB-CB 4.4Å; K5-E8 HydrophobicContact CB-CG 3.77Å; K5-E8 WeakPolarHBondContact CB-OE2 3.44Å; K5-E8 WeakPolarHBondContact CD-OE1 3.21Å; K5-E8 PolarHBondContact O-N 3.4Å; K6-E8 PolarHBondContact O-N 3.37Å; E8-T13 VanDerWaalsContact C-CG2 3.49Å; E8-T13 WeakPolarHBondContact O-CG2 3.48Å
9S75.7Confident82Confident61 Ų6198.6 Ų98.643%0.42749%0.491SS..SBendtrans-144.5146.8175.857.60000109.2Y7Y7-S9 VanDerWaalsContact C-N 3.25Å
10G81Confident82.5Confident40 Ų4097.9 Ų97.941%0.41249%0.486SS..THydrogen-bonded Turntrans104.1-151174.600000111.4A12 T13 N14G10-A12 PolarHBondContact O-N 2.92Å; G10-A12 VanDerWaalsContact O-N 3.12Å; G10-T13 PolarHBondContact O-N 3.29Å; G10-T13 PolarHBondContact O-OG1 3.35Å; G10-N14 PolarHBondContact O-N 3.13Å
11A79.4Confident83Confident31 Ų3193.2 Ų93.226%0.25646%0.463SS..Hα-helixtrans-57.1-24.7-175.900000111T13 N14 Y15 V52A11-T13 VanDerWaalsContact C-N 3.28Å; A11-T13 PolarHBondContact O-N 3.45Å; A11-N14 PolarHBondContact O-N 3.37Å; A11-Y15 WeakPolarHBondContact O-CD2 3.1Å; A11-V52 HydrophobicContact CB-CG2 4.15Å
12A81.1Confident84.7Confident20 Ų2084.1 Ų84.117%0.16542%0.419CS..Hα-helixtrans-71.1-27.4-178.800000111.3Y7 G10 N14Y7-A12 HydrophobicContact CD1-CB 4.47Å; G10-A12 PolarHBondContact O-N 2.92Å; G10-A12 VanDerWaalsContact O-N 3.12Å; A12-N14 VanDerWaalsContact C-N 3.31Å
13T85.4Confident85.5Confident68 Ų6885.5 Ų85.542%0.41741%0.413SS..Hα-helixtrans-89-16.6-178.152.80000110.5E8 G10 A11 Y15 A65E8-T13 VanDerWaalsContact C-CG2 3.49Å; E8-T13 WeakPolarHBondContact O-CG2 3.48Å; G10-T13 PolarHBondContact O-N 3.29Å; G10-T13 PolarHBondContact O-OG1 3.35Å; A11-T13 VanDerWaalsContact C-N 3.28Å; A11-T13 PolarHBondContact O-N 3.45Å; T13-Y15 PolarHBondContact O-N 3.48Å; T13-A65 WeakPolarHBondContact O-CB 3.45Å
14N90.7Very high86.2Confident79 Ų7983.2 Ų83.242%0.42240%0.398SS..Hα-helixtrans-81.3-19.6-174.5-72.5-17.9000111.2G10 A11 A12 F64 A65G10-N14 PolarHBondContact O-N 3.13Å; A11-N14 PolarHBondContact O-N 3.37Å; A12-N14 VanDerWaalsContact C-N 3.31Å; N14-F64 CarbonylContact O-C 3.27Å; N14-F64 WeakPolarHBondContact O-CA 3.49Å; N14-A65 WeakPolarHBondContact O-CB 3.11Å; N14-A65 PolarHBondContact O-N 3.12Å
15Y92.2Very high87Confident40 Ų4074.9 Ų74.916%0.15737%0.367CS..EExtended strand (participates in β ladder)trans-118.9145.7-175.2-69-86.4000109.4A11 T13 H44 P46 V52 W62 Y63 F64A11-Y15 WeakPolarHBondContact O-CD2 3.1Å; T13-Y15 PolarHBondContact O-N 3.48Å; Y15-H44 HydrophobicContact CE1-CB 3.99Å; Y15-P46 HydrophobicContact CD2-CB 4.15Å; Y15-P46 HydrophobicContact CE1-CB 4.41Å; Y15-P46 HydrophobicContact CE2-CB 3.94Å; Y15-P46 HydrophobicContact CG-CB 4.49Å; Y15-V52 HydrophobicContact CD2-CG2 3.99Å; Y15-V52 HydrophobicContact CG-CG1 4.39Å; Y15-W62 HydrophobicContact CD1-CB 4.06Å; Y15-Y63 CarbonylContact C-O 3.54Å; Y15-Y63 VanDerWaalsContact CA-O 3.24Å; Y15-Y63 WeakPolarHBondContact CA-O 3.46Å; Y15-F64 AromaticContact CD1-CD1 3.92Å; Y15-F64 HydrophobicContact CD1-CD1 3.92Å; Y15-F64 AromaticContact CD1-CE1 3.98Å; Y15-F64 HydrophobicContact CD1-CE1 3.98Å; Y15-F64 AromaticContact CE1-CD1 3.58Å; Y15-F64 HydrophobicContact CE1-CD1 3.58Å; Y15-F64 AromaticContact CE1-CE1 3.14Å; Y15-F64 HydrophobicContact CE1-CE1 3.14Å; Y15-F64 AromaticContact CE1-CZ 3.87Å; Y15-F64 HydrophobicContact CE1-CZ 3.87Å; Y15-F64 HydrophobicContact CE2-CE1 4.32Å; Y15-F64 AromaticContact CZ-CE1 3.37Å; Y15-F64 WeakPolarHBondContact OH-CE1 3.37Å
16I92Very high87.5Confident3 Ų375.1 Ų75.12%0.01537%0.37CS..EExtended strand (participates in β ladder)trans-127.9135177.1-172.8164.3000107.7Q20 A21 K24 Y63 I68I16-Q20 HydrophobicContact CD1-CB 3.86Å; I16-Q20 HydrophobicContact CG1-CB 3.41Å; I16-Q20 VanDerWaalsContact CG1-CB 3.41Å; I16-A21 HydrophobicContact CG2-CB 4.37Å; I16-K24 HydrophobicContact CD1-CD 3.35Å; I16-K24 VanDerWaalsContact CD1-CE 3.46Å; I16-K24 HydrophobicContact CD1-CG 4.18Å; I16-Y63 PolarHBondContact N-O 2.89Å; I16-Y63 PolarHBondContact O-N 3.35Å; I16-I68 HydrophobicContact CG2-CB 4.31Å; I16-I68 HydrophobicContact CG2-CG1 3.53Å
17S92.5Very high88.2Confident5 Ų567.8 Ų67.84%0.03534%0.339CS..EExtended strand (participates in β ladder)trans-70.5158.9179.3700000111.2R19 Q20 A21S17-R19 PolarHBondContact O-N 3.11Å; S17-Q20 PolarHBondContact O-N 3.38Å; S17-Q20 VanDerWaalsContact OG-CB 3.29Å; S17-Q20 WeakPolarHBondContact OG-CB 3.45Å; S17-Q20 WeakPolarHBondContact OG-CG 3.05Å; S17-Q20 PolarHBondContact OG-N 3Å; S17-A21 WeakPolarHBondContact O-CB 3.49Å; S17-A21 PolarHBondContact O-N 3.34Å
18R93.4Very high88.6Confident98 Ų9868.2 Ų68.237%0.3735%0.348SS..Hα-helixtrans-58.3-42.8-178.5179.2175.672.3-178.80.5110.6Q20 A21 L22 F32 T61 Y63R18-Q20 VanDerWaalsContact C-N 3.26Å; R18-Q20 PolarHBondContact O-N 3.14Å; R18-A21 WeakPolarHBondContact O-CB 3.31Å; R18-A21 PolarHBondContact O-N 3.31Å; R18-A21 VanDerWaalsContact O-N 3.08Å; R18-L22 HydrophobicContact CG-CD1 4.34Å; R18-L22 WeakPolarHBondContact O-CG 3.15Å; R18-L22 PolarHBondContact O-N 2.86Å; R18-F32 HydrophobicContact CG-CE1 4.15Å; R18-T61 PolarHBondContact N-O 3.41Å; R18-T61 VanDerWaalsContact N-O 3.15Å; R18-Y63 HydrophobicContact CB-CE2 4.13Å; R18-Y63 HydrophobicContact CG-CE2 4.29Å
19R92.7Very high89.2Confident206 Ų20665.2 Ų65.278%0.77734%0.336SS*.Hα-helixtrans-62-43.1-179.9-172.3175.2175.6177.10.9111S17 A21 L22 T23S17-R19 PolarHBondContact O-N 3.11Å; R19-A21 PolarHBondContact O-N 3.36Å; R19-L22 PolarHBondContact O-N 3.05Å; R19-T23 PolarHBondContact O-N 3.33Å; R19-T23 PolarHBondContact O-OG1 3.46Å
20Q92.5Very high89.7Confident84 Ų8470.7 Ų70.739%0.39335%0.347SS..Hα-helixtrans-64.7-36.5178.7-71.4179-13.100111.1I16 S17 R18 L22 T23 K24I16-Q20 HydrophobicContact CD1-CB 3.86Å; I16-Q20 HydrophobicContact CG1-CB 3.41Å; I16-Q20 VanDerWaalsContact CG1-CB 3.41Å; S17-Q20 PolarHBondContact O-N 3.38Å; S17-Q20 VanDerWaalsContact OG-CB 3.29Å; S17-Q20 WeakPolarHBondContact OG-CB 3.45Å; S17-Q20 WeakPolarHBondContact OG-CG 3.05Å; S17-Q20 PolarHBondContact OG-N 3Å; R18-Q20 VanDerWaalsContact C-N 3.26Å; R18-Q20 PolarHBondContact O-N 3.14Å; Q20-L22 VanDerWaalsContact C-N 3.25Å; Q20-L22 PolarHBondContact O-N 3.29Å; Q20-T23 PolarHBondContact O-N 2.74Å; Q20-K24 WeakPolarHBondContact O-CB 3.39Å; Q20-K24 WeakPolarHBondContact O-CG 3.4Å; Q20-K24 PolarHBondContact O-N 2.72Å
21A93.7Very high89.9Confident0 Ų070.9 Ų70.90%034%0.339CS..Hα-helixtrans-65.9-36.3178.800000110.5I16 S17 R18 R19 T23 K24 L25 F32 I68I16-A21 HydrophobicContact CG2-CB 4.37Å; S17-A21 WeakPolarHBondContact O-CB 3.49Å; S17-A21 PolarHBondContact O-N 3.34Å; R18-A21 WeakPolarHBondContact O-CB 3.31Å; R18-A21 PolarHBondContact O-N 3.31Å; R18-A21 VanDerWaalsContact O-N 3.08Å; R19-A21 PolarHBondContact O-N 3.36Å; A21-T23 VanDerWaalsContact C-N 3.26Å; A21-T23 PolarHBondContact O-N 3.34Å; A21-K24 PolarHBondContact O-N 3.4Å; A21-L25 PolarHBondContact O-N 2.94Å; A21-F32 HydrophobicContact CB-CE2 4.09Å; A21-F32 HydrophobicContact CB-CZ 4Å; A21-I68 HydrophobicContact CB-CD1 4.02Å; A21-I68 HydrophobicContact CB-CG1 4.16Å; A21-I68 HydrophobicContact CB-CG2 4.3Å
22L93.6Very high90.5Very high34 Ų3469.4 Ų69.418%0.17833%0.327CS..Hα-helixtrans-69.1-36.6-179.3-75.5171.4000110.6R18 R19 Q20 K24 L25 Q26 L27 L29 F32R18-L22 HydrophobicContact CG-CD1 4.34Å; R18-L22 WeakPolarHBondContact O-CG 3.15Å; R18-L22 PolarHBondContact O-N 2.86Å; R19-L22 PolarHBondContact O-N 3.05Å; Q20-L22 VanDerWaalsContact C-N 3.25Å; Q20-L22 PolarHBondContact O-N 3.29Å; L22-K24 VanDerWaalsContact C-N 3.27Å; L22-K24 PolarHBondContact O-N 3.25Å; L22-L25 PolarHBondContact O-N 3.37Å; L22-Q26 WeakPolarHBondContact O-CA 3.38Å; L22-Q26 PolarHBondContact O-N 3.22Å; L22-L27 PolarHBondContact O-N 3.04Å; L22-L29 HydrophobicContact CD1-CD1 4.02Å; L22-F32 HydrophobicContact CD2-CB 3.25Å; L22-F32 HydrophobicContact CD2-CD1 3.8Å; L22-F32 HydrophobicContact CD2-CD2 4.06Å; L22-F32 HydrophobicContact CD2-CG 3.45Å; L22-F32 VanDerWaalsContact CD2-CG 3.45Å; L22-F32 HydrophobicContact CG-CD1 4.45Å; L22-F32 HydrophobicContact CG-CG 4.44Å
23T93.6Very high90.9Very high101 Ų10172.8 Ų72.862%0.6234%0.335SS*.Hα-helixtrans-72.5-34.3-179-58.20000110.3R19 Q20 A21 L25 Q26R19-T23 PolarHBondContact O-N 3.33Å; R19-T23 PolarHBondContact O-OG1 3.46Å; Q20-T23 PolarHBondContact O-N 2.74Å; A21-T23 VanDerWaalsContact C-N 3.26Å; A21-T23 PolarHBondContact O-N 3.34Å; T23-L25 VanDerWaalsContact C-N 3.33Å; T23-L25 PolarHBondContact O-N 3.39Å; T23-Q26 PolarHBondContact O-N 3.06Å
24K92.4Very high90.9Very high149 Ų14970.1 Ų70.165%0.64832%0.317SS*.Hα-helixtrans-71.1-36.8-179-81.7-165.7179.51790110.9I16 Q20 A21 L22 Q26I16-K24 HydrophobicContact CD1-CD 3.35Å; I16-K24 VanDerWaalsContact CD1-CE 3.46Å; I16-K24 HydrophobicContact CD1-CG 4.18Å; Q20-K24 WeakPolarHBondContact O-CB 3.39Å; Q20-K24 WeakPolarHBondContact O-CG 3.4Å; Q20-K24 PolarHBondContact O-N 2.72Å; A21-K24 PolarHBondContact O-N 3.4Å; L22-K24 VanDerWaalsContact C-N 3.27Å; L22-K24 PolarHBondContact O-N 3.25Å; K24-Q26 VanDerWaalsContact C-N 3.32Å
25L91.6Very high90.7Very high8 Ų866.3 Ų66.34%0.04230%0.297CS..Hα-helixtrans-90.9-9.3-175.7-71.5171.9000110.3A21 L22 T23 L27 F32 I68 L71 A72 I77A21-L25 PolarHBondContact O-N 2.94Å; L22-L25 PolarHBondContact O-N 3.37Å; T23-L25 VanDerWaalsContact C-N 3.33Å; T23-L25 PolarHBondContact O-N 3.39Å; L25-L27 HydrophobicContact CB-CB 4.49Å; L25-L27 HydrophobicContact CB-CD1 3.97Å; L25-L27 HydrophobicContact CB-CG 4.07Å; L25-L27 HydrophobicContact CD1-CD1 4.41Å; L25-L27 PolarHBondContact O-N 3.39Å; L25-F32 HydrophobicContact CD1-CD2 3.77Å; L25-F32 HydrophobicContact CD1-CE2 3.72Å; L25-I68 HydrophobicContact CD1-CG2 4.11Å; L25-I68 HydrophobicContact CD2-CG2 4.46Å; L25-I68 HydrophobicContact CG-CG2 4.11Å; L25-L71 HydrophobicContact CD1-CB 4.31Å; L25-L71 HydrophobicContact CD1-CD1 4.39Å; L25-L71 HydrophobicContact CD2-CB 4.29Å; L25-A72 HydrophobicContact CD2-CB 3.92Å; L25-I77 HydrophobicContact CD2-CD1 4.15Å
26Q91.4Very high90.6Very high154 Ų15464.7 Ų64.772%0.7229%0.292SS*.THydrogen-bonded Turntrans53.244-179.1-61.5179-33.400111.3L22 T23 K24L22-Q26 WeakPolarHBondContact O-CA 3.38Å; L22-Q26 PolarHBondContact O-N 3.22Å; T23-Q26 PolarHBondContact O-N 3.06Å; K24-Q26 VanDerWaalsContact C-N 3.32Å
27L88.4Confident90.4Very high23 Ų2365.4 Ų65.412%0.1230%0.295CS..  trans-119157.6178.6-69.1172.1000109.4L22 L25 L35 I77L22-L27 PolarHBondContact O-N 3.04Å; L25-L27 HydrophobicContact CB-CB 4.49Å; L25-L27 HydrophobicContact CB-CD1 3.97Å; L25-L27 HydrophobicContact CB-CG 4.07Å; L25-L27 HydrophobicContact CD1-CD1 4.41Å; L25-L27 PolarHBondContact O-N 3.39Å; L27-L35 HydrophobicContact CD1-CD2 4.01Å; L27-I77 HydrophobicContact CD1-CD1 4.46Å; L27-I77 HydrophobicContact CD1-CG1 4.21Å; L27-I77 HydrophobicContact CD2-CG2 4.16Å
28N88.8Confident90Very high112 Ų11265.4 Ų65.460%0.59930%0.295SS*.  trans-75.2159.2172.2-159.81.4000111.2R30 D31 F32N28-R30 PolarHBondContact O-N 3.43Å; N28-D31 PolarHBondContact O-N 3.02Å; N28-F32 VanDerWaalsContact O-CB 3.23Å; N28-F32 WeakPolarHBondContact O-CB 3.11Å; N28-F32 PolarHBondContact O-N 2.94Å
29L90.1Very high89.6Confident53 Ų5362 Ų6228%0.27728%0.283SS..Hα-helixtrans-58.9-39.4-176.2-178.862000111.2L22 D31 F32 R33L22-L29 HydrophobicContact CD1-CD1 4.02Å; L29-D31 VanDerWaalsContact C-N 3.33Å; L29-D31 PolarHBondContact O-N 3.3Å; L29-F32 PolarHBondContact O-N 3.39Å; L29-R33 HydrophobicContact CD1-CG 4.34Å; L29-R33 WeakPolarHBondContact O-CB 3.38Å; L29-R33 VanDerWaalsContact O-CG 3.28Å; L29-R33 WeakPolarHBondContact O-CG 2.67Å; L29-R33 PolarHBondContact O-N 3.15Å
30R86.6Confident89.4Confident176 Ų17653.8 Ų53.866%0.66426%0.262SS*.Hα-helixtrans-64.9-42.5-178.6-174.6-176.2-69.9-172.41.1111.1N28 R33 R34N28-R30 PolarHBondContact O-N 3.43Å; R30-R33 PolarHBondContact O-N 3.18Å; R30-R34 WeakPolarHBondContact O-CB 3.5Å; R30-R34 PolarHBondContact O-N 3.46Å
31D86.5Confident89.3Confident45 Ų4550.8 Ų50.824%0.24125%0.248CC..Hα-helixtrans-72.3-34.2-179.3-71.4-15.7000110.9N28 L29 R33 R34 L35 F80N28-D31 PolarHBondContact O-N 3.02Å; L29-D31 VanDerWaalsContact C-N 3.33Å; L29-D31 PolarHBondContact O-N 3.3Å; D31-R33 VanDerWaalsContact C-N 3.25Å; D31-R33 PolarHBondContact O-N 2.83Å; D31-R34 WeakPolarHBondContact O-CB 3.42Å; D31-R34 PolarHBondContact O-N 3.45Å; D31-L35 WeakPolarHBondContact O-CB 3.27Å; D31-L35 PolarHBondContact O-N 3.11Å; D31-F80 HydrophobicContact CB-CD2 4.31Å
32F90.9Very high89.2Confident0 Ų055.9 Ų55.90%027%0.272CS..Hα-helixtrans-65.9-42.7179.5172.7-108.3000110.1R18 A21 L22 L25 N28 L29 R34 L35 C36 Y63 I68R18-F32 HydrophobicContact CG-CE1 4.15Å; A21-F32 HydrophobicContact CB-CE2 4.09Å; A21-F32 HydrophobicContact CB-CZ 4Å; L22-F32 HydrophobicContact CD2-CB 3.25Å; L22-F32 HydrophobicContact CD2-CD1 3.8Å; L22-F32 HydrophobicContact CD2-CD2 4.06Å; L22-F32 HydrophobicContact CD2-CG 3.45Å; L22-F32 VanDerWaalsContact CD2-CG 3.45Å; L22-F32 HydrophobicContact CG-CD1 4.45Å; L22-F32 HydrophobicContact CG-CG 4.44Å; L25-F32 HydrophobicContact CD1-CD2 3.77Å; L25-F32 HydrophobicContact CD1-CE2 3.72Å; N28-F32 VanDerWaalsContact O-CB 3.23Å; N28-F32 WeakPolarHBondContact O-CB 3.11Å; N28-F32 PolarHBondContact O-N 2.94Å; L29-F32 PolarHBondContact O-N 3.39Å; F32-R34 PolarHBondContact O-N 3.35Å; F32-L35 PolarHBondContact O-N 3.42Å; F32-C36 WeakPolarHBondContact CZ-SG 3.5Å; F32-C36 PolarHBondContact O-N 3.5Å; F32-C36 PolarHBondContact O-SG 3.15Å; F32-Y63 AromaticContact CE1-CE2 3.99Å; F32-Y63 HydrophobicContact CE1-CE2 3.99Å; F32-Y63 HydrophobicContact CZ-CD2 4.4Å; F32-Y63 HydrophobicContact CZ-CE2 4.05Å; F32-I68 HydrophobicContact CE2-CD1 4.1Å; F32-I68 HydrophobicContact CZ-CD1 4.22Å
33R89.4Confident89.2Confident90 Ų9057.6 Ų57.634%0.3429%0.285SS..Hα-helixtrans-63.5-41.3178.5-75.4-174.6179.9164.70.9111.3L29 R30 D31 L35 C36 I37 D233L29-R33 HydrophobicContact CD1-CG 4.34Å; L29-R33 WeakPolarHBondContact O-CB 3.38Å; L29-R33 VanDerWaalsContact O-CG 3.28Å; L29-R33 WeakPolarHBondContact O-CG 2.67Å; L29-R33 PolarHBondContact O-N 3.15Å; R30-R33 PolarHBondContact O-N 3.18Å; D31-R33 VanDerWaalsContact C-N 3.25Å; D31-R33 PolarHBondContact O-N 2.83Å; R33-L35 PolarHBondContact O-N 3.37Å; R33-C36 PolarHBondContact O-N 2.91Å; R33-I37 WeakPolarHBondContact O-CG1 3.32Å; R33-I37 PolarHBondContact O-N 3.01Å; R33-D233 IonicContact NH1-OD2 3.16Å
34R86Confident89.2Confident12 Ų1255.1 Ų55.15%0.04527%0.266CS..Hα-helixtrans-61.7-42.1178.5-174.1172178.1-179.6-1.1111.1R30 D31 F32 C36 I37 I38 F80 F130 T239 D242R30-R34 WeakPolarHBondContact O-CB 3.5Å; R30-R34 PolarHBondContact O-N 3.46Å; D31-R34 WeakPolarHBondContact O-CB 3.42Å; D31-R34 PolarHBondContact O-N 3.45Å; F32-R34 PolarHBondContact O-N 3.35Å; R34-C36 PolarHBondContact O-N 3.08Å; R34-I37 PolarHBondContact O-N 2.84Å; R34-I38 HydrophobicContact CG-CD1 3.94Å; R34-I38 WeakPolarHBondContact O-CG1 3.49Å; R34-I38 PolarHBondContact O-N 3.25Å; R34-F80 HydrophobicContact CG-CZ 4.4Å; R34-F130 VanDerWaalsContact CZ-CE2 3.46Å; R34-F130 VanDerWaalsContact NH1-CZ 3.33Å; R34-F130 CovalentContact NH2-CB 1.59Å; R34-T239 HydrophobicContact CB-CG2 3.91Å; R34-T239 HydrophobicContact CG-CG2 3.38Å; R34-D242 IonicContact NH2-OD2 2.41Å
35L87Confident89.1Confident0 Ų054.6 Ų54.60%027%0.266CS..Hα-helixtrans-67.2-40.1-179-173.465.7000110.3L27 D31 F32 R33 I37 I38 K39 L71 L76 I77 F80L27-L35 HydrophobicContact CD1-CD2 4.01Å; D31-L35 WeakPolarHBondContact O-CB 3.27Å; D31-L35 PolarHBondContact O-N 3.11Å; F32-L35 PolarHBondContact O-N 3.42Å; R33-L35 PolarHBondContact O-N 3.37Å; L35-I37 PolarHBondContact O-N 3.23Å; L35-I38 PolarHBondContact O-N 2.94Å; L35-K39 PolarHBondContact O-N 3.43Å; L35-L71 HydrophobicContact CD1-CD2 4.45Å; L35-L71 HydrophobicContact CD2-CB 4.22Å; L35-L71 HydrophobicContact CD2-CD1 4.46Å; L35-L71 HydrophobicContact CD2-CD2 3.72Å; L35-L71 HydrophobicContact CD2-CG 4.37Å; L35-L71 HydrophobicContact CG-CD2 3.68Å; L35-L76 HydrophobicContact CD1-CB 4.02Å; L35-L76 HydrophobicContact CD1-CD1 4.16Å; L35-I77 HydrophobicContact CD2-CD1 4.02Å; L35-I77 HydrophobicContact CD2-CG1 3.8Å; L35-F80 HydrophobicContact CB-CE2 4.34Å; L35-F80 HydrophobicContact CD1-CE2 4.21Å
36C90.2Very high89Confident6 Ų654.5 Ų54.54%0.04127%0.266CS..Hα-helixtrans-64-37-179.8-69.80000111F32 R33 R34 I38 K39 G40 I41F32-C36 WeakPolarHBondContact CZ-SG 3.5Å; F32-C36 PolarHBondContact O-N 3.5Å; F32-C36 PolarHBondContact O-SG 3.15Å; R33-C36 PolarHBondContact O-N 2.91Å; R34-C36 PolarHBondContact O-N 3.08Å; C36-I38 VanDerWaalsContact C-N 3.29Å; C36-I38 PolarHBondContact O-N 3.21Å; C36-K39 PolarHBondContact O-N 3.35Å; C36-G40 CarbonylContact O-C 3.54Å; C36-G40 WeakPolarHBondContact O-CA 3.39Å; C36-G40 PolarHBondContact O-N 3.26Å; C36-I41 HydrophobicContact CB-CB 4.46Å; C36-I41 PolarHBondContact O-N 3.13Å
37I87.6Confident88.8Confident17 Ų1758.7 Ų58.79%0.08728%0.275CS..Hα-helixtrans-69.5-38.8-179.6-68173.2000109.8R33 R34 L35 K39 G40 V236 T239 F240R33-I37 WeakPolarHBondContact O-CG1 3.32Å; R33-I37 PolarHBondContact O-N 3.01Å; R34-I37 PolarHBondContact O-N 2.84Å; L35-I37 PolarHBondContact O-N 3.23Å; I37-K39 PolarHBondContact O-N 3.05Å; I37-G40 PolarHBondContact O-N 3.21Å; I37-V236 HydrophobicContact CD1-CG1 3.71Å; I37-T239 HydrophobicContact CB-CG2 4.2Å; I37-T239 HydrophobicContact CD1-CG2 3.81Å; I37-T239 HydrophobicContact CG2-CG2 4.33Å; I37-F240 HydrophobicContact CB-CE1 4.44Å; I37-F240 HydrophobicContact CB-CE2 4.48Å; I37-F240 HydrophobicContact CB-CZ 4.27Å; I37-F240 HydrophobicContact CD1-CD2 3.7Å; I37-F240 HydrophobicContact CD1-CE2 3.44Å; I37-F240 VanDerWaalsContact CD1-CE2 3.44Å; I37-F240 HydrophobicContact CD1-CG 4.47Å; I37-F240 HydrophobicContact CD1-CZ 4.05Å; I37-F240 HydrophobicContact CG1-CD2 4.32Å; I37-F240 HydrophobicContact CG1-CE1 4.42Å; I37-F240 HydrophobicContact CG1-CE2 3.7Å; I37-F240 HydrophobicContact CG1-CZ 3.76Å; I37-F240 HydrophobicContact CG2-CD1 3.47Å; I37-F240 VanDerWaalsContact CG2-CD1 3.47Å; I37-F240 HydrophobicContact CG2-CD2 4.02Å; I37-F240 HydrophobicContact CG2-CE1 3.37Å; I37-F240 HydrophobicContact CG2-CE2 3.94Å; I37-F240 HydrophobicContact CG2-CG 3.78Å; I37-F240 HydrophobicContact CG2-CZ 3.62Å
38I84.5Confident88.6Confident5 Ų563 Ų633%0.02629%0.294CS..Hα-helixtrans-70.2-33.8-176.2-70.1173.1000109.5R34 L35 C36 G40 L76 I132 C136R34-I38 HydrophobicContact CG-CD1 3.94Å; R34-I38 WeakPolarHBondContact O-CG1 3.49Å; R34-I38 PolarHBondContact O-N 3.25Å; L35-I38 PolarHBondContact O-N 2.94Å; C36-I38 VanDerWaalsContact C-N 3.29Å; C36-I38 PolarHBondContact O-N 3.21Å; I38-G40 VanDerWaalsContact C-N 3.29Å; I38-L76 HydrophobicContact CD1-CD1 4.47Å; I38-L76 HydrophobicContact CG2-CD1 3.95Å; I38-I132 HydrophobicContact CD1-CD1 4.27Å; I38-I132 HydrophobicContact CD1-CG1 4.19Å; I38-I132 HydrophobicContact CG1-CD1 4Å; I38-I132 HydrophobicContact CG1-CG1 4.46Å; I38-I132 HydrophobicContact CG2-CG2 4.15Å; I38-C136 HydrophobicContact CG2-CB 4.31Å
39K84.8Confident88.5Confident28 Ų2862.2 Ų62.212%0.12229%0.286CS..Hα-helixtrans-93.7-12.5-176.5-73.6-65.8-176.8-177.70110.3L35 C36 I37 I41 L71 E74 D139L35-K39 PolarHBondContact O-N 3.43Å; C36-K39 PolarHBondContact O-N 3.35Å; I37-K39 PolarHBondContact O-N 3.05Å; K39-I41 HydrophobicContact CB-CD1 4.23Å; K39-I41 HydrophobicContact CB-CG1 4.19Å; K39-L71 HydrophobicContact CB-CD2 3.99Å; K39-L71 HydrophobicContact CG-CD2 3.59Å; K39-E74 HydrophobicContact CD-CG 4.3Å; K39-E74 WeakPolarHBondContact CE-OE1 3.37Å; K39-E74 WeakPolarHBondContact CE-OE2 2.61Å; K39-E74 IonicContact NZ-OE1 3.62Å; K39-E74 PolarHBondContact NZ-OE1 2.57Å; K39-E74 IonicContact NZ-OE2 3.87Å; K39-E74 PolarHBondContact NZ-OE2 3.41Å; K39-D139 IonicContact NZ-OD2 3.59Å; K39-D139 PolarHBondContact NZ-OD2 3.36Å
40G87.5Confident88.2Confident33 Ų3366.4 Ų66.434%0.3430%0.302SS..THydrogen-bonded Turntrans82.232.4176.800000111.7C36 I37 I38C36-G40 CarbonylContact O-C 3.54Å; C36-G40 WeakPolarHBondContact O-CA 3.39Å; C36-G40 PolarHBondContact O-N 3.26Å; I37-G40 PolarHBondContact O-N 3.21Å; I38-G40 VanDerWaalsContact C-N 3.29Å
41I90.8Very high88.1Confident21 Ų2164 Ų6411%0.10830%0.296CS..  trans-94.2128.7175.8-62.8169.4000108.6C36 K39 Y63 D67 L71C36-I41 HydrophobicContact CB-CB 4.46Å; C36-I41 PolarHBondContact O-N 3.13Å; K39-I41 HydrophobicContact CB-CD1 4.23Å; K39-I41 HydrophobicContact CB-CG1 4.19Å; I41-Y63 HydrophobicContact CG2-CD1 3.65Å; I41-Y63 HydrophobicContact CG2-CE1 4.08Å; I41-D67 HydrophobicContact CD1-CB 4.19Å; I41-D67 HydrophobicContact CG1-CB 4.33Å; I41-D67 HydrophobicContact CG2-CB 4.05Å; I41-L71 HydrophobicContact CD1-CB 4.49Å; I41-L71 HydrophobicContact CD1-CD1 2.9Å; I41-L71 HydrophobicContact CD1-CD2 3.31Å; I41-L71 HydrophobicContact CD1-CG 3Å; I41-L71 HydrophobicContact CG1-CD1 4.33Å
42H92Very high88.1Confident106 Ų10662.2 Ų62.249%0.49129%0.287SS..  trans-125.1155.9-17754.9-83.8000109.5H44H42-H44 AromaticContact CD2-CE1 3.38Å; H42-H44 PolarHBondContact CD2-CE1 3.1Å; H42-H44 AromaticContact CD2-ND1 3.97Å; H42-H44 AromaticContact CD2-NE2 3.55Å; H42-H44 AromaticContact CE1-CE1 3.66Å; H42-H44 AromaticContact CE1-NE2 3.72Å; H42-H44 AromaticContact NE2-CE1 2.81Å; H42-H44 PolarHBondContact NE2-CE1 3.24Å; H42-H44 AromaticContact NE2-ND1 3.74Å; H42-H44 AromaticContact NE2-NE2 3.19Å; H42-H44 PolarHBondContact NE2-NE2 3.1Å; H42-H44 VanDerWaalsContact NE2-NE2 3.19Å; H42-H44 PolarHBondContact O-CD2 3.17Å; H42-H44 VanDerWaalsContact O-CD2 3.27Å
43P94.2Very high87.8Confident70 Ų7062.6 Ų62.646%0.45529%0.289SS..  trans-68.30-179.822.2-27.4000111.9T61 W62 Y63P43-T61 HydrophobicContact CB-CG2 3.17Å; P43-T61 HydrophobicContact CG-CG2 4.08Å; P43-W62 CarbonylContact C-O 3.58Å; P43-W62 VanDerWaalsContact CA-O 3.25Å; P43-W62 WeakPolarHBondContact CA-O 3.25Å; P43-Y63 HydrophobicContact CB-CE1 4.34Å
44H92Very high87.6Confident49 Ų4965.2 Ų65.223%0.22730%0.303CS..BIsolated β-bridge000-68-82.8000109.9Y15 H42 P46 W62 F64Y15-H44 HydrophobicContact CE1-CB 3.99Å; H42-H44 AromaticContact CD2-CE1 3.38Å; H42-H44 PolarHBondContact CD2-CE1 3.1Å; H42-H44 AromaticContact CD2-ND1 3.97Å; H42-H44 AromaticContact CD2-NE2 3.55Å; H42-H44 AromaticContact CE1-CE1 3.66Å; H42-H44 AromaticContact CE1-NE2 3.72Å; H42-H44 AromaticContact NE2-CE1 2.81Å; H42-H44 PolarHBondContact NE2-CE1 3.24Å; H42-H44 AromaticContact NE2-ND1 3.74Å; H42-H44 AromaticContact NE2-NE2 3.19Å; H42-H44 PolarHBondContact NE2-NE2 3.1Å; H42-H44 VanDerWaalsContact NE2-NE2 3.19Å; H42-H44 PolarHBondContact O-CD2 3.17Å; H42-H44 VanDerWaalsContact O-CD2 3.27Å; H44-P46 WeakPolarHBondContact O-CD 3.18Å; H44-W62 PolarHBondContact N-O 3.22Å; H44-W62 VanDerWaalsContact O-CB 3.25Å; H44-W62 WeakPolarHBondContact O-CB 3.07Å; H44-F64 HydrophobicContact CB-CE2 3.92Å; H44-F64 HydrophobicContact CB-CZ 3.94Å; H44-F64 AromaticContact CD2-CD2 2.98Å; H44-F64 WeakPolarHBondContact CD2-CD2 3.32Å; H44-F64 AromaticContact CD2-CE2 2.85Å; H44-F64 WeakPolarHBondContact CD2-CE2 3.47Å; H44-F64 AromaticContact CD2-CG 3.98Å; H44-F64 AromaticContact CD2-CZ 3.79Å; H44-F64 AromaticContact CE1-CE2 3.31Å; H44-F64 WeakPolarHBondContact CE1-CE2 3.39Å; H44-F64 AromaticContact CG-CD2 3.72Å; H44-F64 AromaticContact CG-CE2 3.12Å; H44-F64 AromaticContact CG-CZ 3.61Å; H44-F64 AromaticContact ND1-CE2 3.39Å; H44-F64 WeakPolarHBondContact ND1-CE2 3.45Å; H44-F64 AromaticContact ND1-CZ 3.91Å; H44-F64 AromaticContact NE2-CD2 3.25Å; H44-F64 VanDerWaalsContact NE2-CD2 3.25Å; H44-F64 WeakPolarHBondContact NE2-CD2 3.5Å; H44-F64 AromaticContact NE2-CE2 2.98Å; H44-F64 WeakPolarHBondContact NE2-CE2 3.44Å
45E90.3Very high87.4Confident139 Ų13967.1 Ų67.165%0.6533%0.326SS*.  0120.50-167.1174.8-179.100109.9K49E45-K49 WeakPolarHBondContact OE1-CE 3.46Å; E45-K49 IonicContact OE1-NZ 3.42Å; E45-K49 PolarHBondContact OE1-NZ 3.27Å
46P89.9Confident87.4Confident5 Ų569.1 Ų69.13%0.03234%0.34CS..  trans-68.9145.9-179.921.8-25.3000112.1Y15 H44 H48 K49 V52 W62Y15-P46 HydrophobicContact CD2-CB 4.15Å; Y15-P46 HydrophobicContact CE1-CB 4.41Å; Y15-P46 HydrophobicContact CE2-CB 3.94Å; Y15-P46 HydrophobicContact CG-CB 4.49Å; H44-P46 WeakPolarHBondContact O-CD 3.18Å; P46-H48 VanDerWaalsContact C-N 3.32Å; P46-K49 HydrophobicContact CG-CG 4.18Å; P46-V52 HydrophobicContact CB-CB 4.35Å; P46-V52 HydrophobicContact CB-CG2 3.63Å; P46-V52 HydrophobicContact CG-CB 4.33Å; P46-V52 HydrophobicContact CG-CG2 4.16Å; P46-W62 VanDerWaalsContact CD-CD1 3.44Å; P46-W62 HydrophobicContact CG-CG 4.13Å
47R87.2Confident87.2Confident243 Ų24375.3 Ų75.392%0.91737%0.373SS*.SBendtrans-63.30179.9-73.4-173.4169.1-1731.1110.9
48H85.1Confident87.1Confident112 Ų11278.7 Ų78.752%0.51939%0.394SS..SBend0980-62.8-72.4000109.9P46 K50 K51 V52P46-H48 VanDerWaalsContact C-N 3.32Å; H48-K50 PolarHBondContact O-N 3.16Å; H48-K51 HydrophobicContact CB-CB 4.16Å; H48-K51 HydrophobicContact CB-CD 4.15Å; H48-K51 HydrophobicContact CB-CG 4.26Å; H48-K51 PolarHBondContact O-N 2.91Å; H48-V52 WeakPolarHBondContact O-CG2 3.33Å; H48-V52 PolarHBondContact O-N 2.88Å
49K85.2Confident87.3Confident96 Ų9686.9 Ų86.942%0.41743%0.433SS..Hα-helixtrans-71.9-27.7-170-69.2-179.2-176.7-177.70110.6E45 P46 K51 V52 N53E45-K49 WeakPolarHBondContact OE1-CE 3.46Å; E45-K49 IonicContact OE1-NZ 3.42Å; E45-K49 PolarHBondContact OE1-NZ 3.27Å; P46-K49 HydrophobicContact CG-CG 4.18Å; K49-K51 VanDerWaalsContact C-N 3.28Å; K49-K51 PolarHBondContact O-N 3.19Å; K49-V52 PolarHBondContact O-N 3.43Å; K49-N53 WeakPolarHBondContact O-CB 3.43Å; K49-N53 PolarHBondContact O-N 2.91Å
50K84.8Confident87.5Confident142 Ų14291.6 Ų91.662%0.61745%0.449SS*.Hα-helixtrans-76.6-35.7-175.4-74.2-174.4-178.31800110.8H48 V52 N53 K54 G55H48-K50 PolarHBondContact O-N 3.16Å; K50-V52 PolarHBondContact O-N 3.37Å; K50-N53 PolarHBondContact O-N 3.46Å; K50-K54 PolarHBondContact O-N 2.89Å; K50-G55 PolarHBondContact O-N 3.48Å
51K83.7Confident87.7Confident124 Ų12492.6 Ų92.654%0.53945%0.449SS..Hα-helixtrans-69.1-33.7-180-77.2-172.7-177.4178.20111.4Y7 H48 K49 N53 K54Y7-K51 VanDerWaalsContact CD1-O 3.31Å; Y7-K51 WeakPolarHBondContact CD1-O 3.45Å; H48-K51 HydrophobicContact CB-CB 4.16Å; H48-K51 HydrophobicContact CB-CD 4.15Å; H48-K51 HydrophobicContact CB-CG 4.26Å; H48-K51 PolarHBondContact O-N 2.91Å; K49-K51 VanDerWaalsContact C-N 3.28Å; K49-K51 PolarHBondContact O-N 3.19Å; K51-N53 PolarHBondContact O-N 2.86Å; K51-K54 PolarHBondContact O-N 3.5Å
52V86.6Confident87.8Confident8 Ų892.5 Ų92.55%0.04845%0.447CS..Hα-helixtrans-78.8-29.6-176.7175.40000109.6A11 Y15 P46 H48 K49 K50 K54 W62A11-V52 HydrophobicContact CB-CG2 4.15Å; Y15-V52 HydrophobicContact CD2-CG2 3.99Å; Y15-V52 HydrophobicContact CG-CG1 4.39Å; P46-V52 HydrophobicContact CB-CB 4.35Å; P46-V52 HydrophobicContact CB-CG2 3.63Å; P46-V52 HydrophobicContact CG-CB 4.33Å; P46-V52 HydrophobicContact CG-CG2 4.16Å; H48-V52 WeakPolarHBondContact O-CG2 3.33Å; H48-V52 PolarHBondContact O-N 2.88Å; K49-V52 PolarHBondContact O-N 3.43Å; K50-V52 PolarHBondContact O-N 3.37Å; V52-K54 PolarHBondContact O-N 2.84Å; V52-W62 HydrophobicContact CB-CZ2 4.4Å; V52-W62 HydrophobicContact CG1-CD2 3.7Å; V52-W62 HydrophobicContact CG1-CE3 3.58Å; V52-W62 HydrophobicContact CG1-CH2 3.5Å; V52-W62 HydrophobicContact CG1-CZ2 3.65Å; V52-W62 HydrophobicContact CG1-CZ3 3.46Å; V52-W62 VanDerWaalsContact CG1-CZ3 3.46Å
53N86Confident87.9Confident9 Ų988.4 Ų88.45%0.04843%0.428CS..THydrogen-bonded Turntrans-94.322.3-177.2-159.94.8000110.5K49 K50 K51 G55 S56 V58 W62K49-N53 WeakPolarHBondContact O-CB 3.43Å; K49-N53 PolarHBondContact O-N 2.91Å; K50-N53 PolarHBondContact O-N 3.46Å; K51-N53 PolarHBondContact O-N 2.86Å; N53-G55 PolarHBondContact O-N 3.33Å; N53-S56 WeakPolarHBondContact CB-O 3.38Å; N53-S56 VanDerWaalsContact CG-O 3.29Å; N53-S56 WeakPolarHBondContact ND2-CB 3.49Å; N53-S56 PolarHBondContact ND2-O 3.24Å; N53-S56 PolarHBondContact ND2-OG 2.96Å; N53-S56 WeakPolarHBondContact O-CB 3.49Å; N53-S56 PolarHBondContact O-N 3Å; N53-V58 PolarHBondContact ND2-N 3.16Å; N53-V58 PolarHBondContact ND2-O 3.39Å; N53-W62 HydrophobicContact CB-CZ2 4.05Å
54K85.4Confident87.9Confident144 Ų14488 Ų8863%0.62642%0.419SS*.THydrogen-bonded Turntrans49.537.5177.4-63.5-179.2-178178.30111Y7 K50 K51 V52Y7-K54 HydrophobicContact CD1-CG 4.38Å; Y7-K54 HydrophobicContact CD2-CG 4.48Å; Y7-K54 HydrophobicContact CG-CG 4.21Å; K50-K54 PolarHBondContact O-N 2.89Å; K51-K54 PolarHBondContact O-N 3.5Å; V52-K54 PolarHBondContact O-N 2.84Å
55G81.6Confident88Confident53 Ų5386.8 Ų86.855%0.54642%0.417SS..THydrogen-bonded Turntrans98.2-4.6171.900000111.6K50 N53K50-G55 PolarHBondContact O-N 3.48Å; N53-G55 PolarHBondContact O-N 3.33Å
56S87.3Confident88.1Confident42 Ų4287.8 Ų87.829%0.29442%0.42SS..  trans-91.5144.3-179178.80000110.1N53 V58N53-S56 WeakPolarHBondContact CB-O 3.38Å; N53-S56 VanDerWaalsContact CG-O 3.29Å; N53-S56 WeakPolarHBondContact ND2-CB 3.49Å; N53-S56 PolarHBondContact ND2-O 3.24Å; N53-S56 PolarHBondContact ND2-OG 2.96Å; N53-S56 WeakPolarHBondContact O-CB 3.49Å; N53-S56 PolarHBondContact O-N 3Å; S56-V58 VanDerWaalsContact C-N 3.32Å; S56-V58 WeakPolarHBondContact OG-CG2 3.48Å; S56-V58 PolarHBondContact OG-N 3.5Å
57N84.4Confident88.2Confident136 Ų13690.2 Ų90.273%0.72743%0.433SS*.  trans-95.513.1-179.9-162.1-15.4000111
58V87.1Confident88.5Confident88 Ų8878.9 Ų78.953%0.53339%0.39SS..  trans-77.8135.2-179.5178.10000109.7N53 S56 R60N53-V58 PolarHBondContact ND2-N 3.16Å; N53-V58 PolarHBondContact ND2-O 3.39Å; S56-V58 VanDerWaalsContact C-N 3.32Å; S56-V58 WeakPolarHBondContact OG-CG2 3.48Å; S56-V58 PolarHBondContact OG-N 3.5Å; V58-R60 HydrophobicContact CG1-CG 4.29Å; V58-R60 PolarHBondContact O-N 2.53Å
59Q86.7Confident88.8Confident177 Ų17779.8 Ų79.883%0.82740%0.395SS*.  trans-76.8114.6180-68.1-179.4-11.400110.5
60R89.3Confident89Confident126 Ų12680.8 Ų80.848%0.47540%0.399SS..  trans-122.4159.1177.5-67.6-176.2-178.7177.10.3109.4V58 W62V58-R60 HydrophobicContact CG1-CG 4.29Å; V58-R60 PolarHBondContact O-N 2.53Å; R60-W62 HydrophobicContact CB-CZ2 4.13Å; R60-W62 VanDerWaalsContact O-CD1 3.26Å; R60-W62 PolarHBondContact O-NE1 3.23Å
61T92.2Very high89.1Confident55 Ų5574 Ų7434%0.33737%0.37SS..  trans-89.6128.6176.6-54.60000109.9R18 P43 Y63R18-T61 PolarHBondContact N-O 3.41Å; R18-T61 VanDerWaalsContact N-O 3.15Å; P43-T61 HydrophobicContact CB-CG2 3.17Å; P43-T61 HydrophobicContact CG-CG2 4.08Å; T61-Y63 HydrophobicContact CG2-CE2 4.1Å
62W92.7Very high89.3Confident18 Ų1870.7 Ų70.77%0.06837%0.366CS..EExtended strand (participates in β ladder)trans-113.7143.5-173.6-64.3102.5000109.7Y15 P43 H44 P46 V52 N53 R60Y15-W62 HydrophobicContact CD1-CB 4.06Å; P43-W62 CarbonylContact C-O 3.58Å; P43-W62 VanDerWaalsContact CA-O 3.25Å; P43-W62 WeakPolarHBondContact CA-O 3.25Å; H44-W62 PolarHBondContact N-O 3.22Å; H44-W62 VanDerWaalsContact O-CB 3.25Å; H44-W62 WeakPolarHBondContact O-CB 3.07Å; P46-W62 VanDerWaalsContact CD-CD1 3.44Å; P46-W62 HydrophobicContact CG-CG 4.13Å; V52-W62 HydrophobicContact CB-CZ2 4.4Å; V52-W62 HydrophobicContact CG1-CD2 3.7Å; V52-W62 HydrophobicContact CG1-CE3 3.58Å; V52-W62 HydrophobicContact CG1-CH2 3.5Å; V52-W62 HydrophobicContact CG1-CZ2 3.65Å; V52-W62 HydrophobicContact CG1-CZ3 3.46Å; V52-W62 VanDerWaalsContact CG1-CZ3 3.46Å; N53-W62 HydrophobicContact CB-CZ2 4.05Å; R60-W62 HydrophobicContact CB-CZ2 4.13Å; R60-W62 VanDerWaalsContact O-CD1 3.26Å; R60-W62 PolarHBondContact O-NE1 3.23Å
63Y94.5Very high89.2Confident21 Ų2177.8 Ų77.88%0.08240%0.398CS..EExtended strand (participates in β ladder)trans-120.7159.2172.4-69.9-88.5000109.4Y15 I16 R18 F32 I41 P43 T61 A65 I68Y15-Y63 CarbonylContact C-O 3.54Å; Y15-Y63 VanDerWaalsContact CA-O 3.24Å; Y15-Y63 WeakPolarHBondContact CA-O 3.46Å; I16-Y63 PolarHBondContact N-O 2.89Å; I16-Y63 PolarHBondContact O-N 3.35Å; R18-Y63 HydrophobicContact CB-CE2 4.13Å; R18-Y63 HydrophobicContact CG-CE2 4.29Å; F32-Y63 AromaticContact CE1-CE2 3.99Å; F32-Y63 HydrophobicContact CE1-CE2 3.99Å; F32-Y63 HydrophobicContact CZ-CD2 4.4Å; F32-Y63 HydrophobicContact CZ-CE2 4.05Å; I41-Y63 HydrophobicContact CG2-CD1 3.65Å; I41-Y63 HydrophobicContact CG2-CE1 4.08Å; P43-Y63 HydrophobicContact CB-CE1 4.34Å; T61-Y63 HydrophobicContact CG2-CE2 4.1Å; Y63-A65 PolarHBondContact O-N 3.41Å; Y63-I68 HydrophobicContact CG-CD1 4.37Å
64F94.3Very high89Confident60 Ų6078 Ų7826%0.26340%0.398SS..EExtended strand (participates in β ladder)trans-75.3132.5173.9-74.9-57000110.5N14 Y15 H44 K66 D67 I68N14-F64 CarbonylContact O-C 3.27Å; N14-F64 WeakPolarHBondContact O-CA 3.49Å; Y15-F64 AromaticContact CD1-CD1 3.92Å; Y15-F64 HydrophobicContact CD1-CD1 3.92Å; Y15-F64 AromaticContact CD1-CE1 3.98Å; Y15-F64 HydrophobicContact CD1-CE1 3.98Å; Y15-F64 AromaticContact CE1-CD1 3.58Å; Y15-F64 HydrophobicContact CE1-CD1 3.58Å; Y15-F64 AromaticContact CE1-CE1 3.14Å; Y15-F64 HydrophobicContact CE1-CE1 3.14Å; Y15-F64 AromaticContact CE1-CZ 3.87Å; Y15-F64 HydrophobicContact CE1-CZ 3.87Å; Y15-F64 HydrophobicContact CE2-CE1 4.32Å; Y15-F64 AromaticContact CZ-CE1 3.37Å; Y15-F64 WeakPolarHBondContact OH-CE1 3.37Å; H44-F64 HydrophobicContact CB-CE2 3.92Å; H44-F64 HydrophobicContact CB-CZ 3.94Å; H44-F64 AromaticContact CD2-CD2 2.98Å; H44-F64 WeakPolarHBondContact CD2-CD2 3.32Å; H44-F64 AromaticContact CD2-CE2 2.85Å; H44-F64 WeakPolarHBondContact CD2-CE2 3.47Å; H44-F64 AromaticContact CD2-CG 3.98Å; H44-F64 AromaticContact CD2-CZ 3.79Å; H44-F64 AromaticContact CE1-CE2 3.31Å; H44-F64 WeakPolarHBondContact CE1-CE2 3.39Å; H44-F64 AromaticContact CG-CD2 3.72Å; H44-F64 AromaticContact CG-CE2 3.12Å; H44-F64 AromaticContact CG-CZ 3.61Å; H44-F64 AromaticContact ND1-CE2 3.39Å; H44-F64 WeakPolarHBondContact ND1-CE2 3.45Å; H44-F64 AromaticContact ND1-CZ 3.91Å; H44-F64 AromaticContact NE2-CD2 3.25Å; H44-F64 VanDerWaalsContact NE2-CD2 3.25Å; H44-F64 WeakPolarHBondContact NE2-CD2 3.5Å; H44-F64 AromaticContact NE2-CE2 2.98Å; H44-F64 WeakPolarHBondContact NE2-CE2 3.44Å; F64-K66 PolarHBondContact O-N 3.11Å; F64-D67 HydrophobicContact CB-CB 4.25Å; F64-D67 PolarHBondContact O-N 3.39Å; F64-D67 VanDerWaalsContact O-N 3.16Å; F64-I68 WeakPolarHBondContact O-CG1 3.35Å; F64-I68 PolarHBondContact O-N 3.43Å
65A92.9Very high88.8Confident24 Ų2475.1 Ų75.120%0.19839%0.394CS..Hα-helixtrans-60.8-33.1-178.100000111.2T13 N14 Y63 D67 I68 Q69T13-A65 WeakPolarHBondContact O-CB 3.45Å; N14-A65 WeakPolarHBondContact O-CB 3.11Å; N14-A65 PolarHBondContact O-N 3.12Å; Y63-A65 PolarHBondContact O-N 3.41Å; A65-D67 PolarHBondContact O-N 2.37Å; A65-I68 PolarHBondContact O-N 1.92Å; A65-Q69 PolarHBondContact O-N 3.42Å
66K92.5Very high88.8Confident161 Ų16173 Ų7370%0.737%0.371SS*.Hα-helixtrans-66.4-35.6-179.4-70.1-178.8-176.5179.70110.9F64 I68 Q69 F70F64-K66 PolarHBondContact O-N 3.11Å; K66-I68 VanDerWaalsContact C-N 3.29Å; K66-Q69 WeakPolarHBondContact O-CB 3.48Å; K66-Q69 PolarHBondContact O-N 2.89Å; K66-F70 PolarHBondContact O-N 3.49Å
67D92.7Very high88.6Confident56 Ų5671.2 Ų71.230%0.29936%0.358SS..Hα-helixtrans-69-38.8-179.2-73.3-15.8000111.2I41 F64 A65 Q69 F70 L71I41-D67 HydrophobicContact CD1-CB 4.19Å; I41-D67 HydrophobicContact CG1-CB 4.33Å; I41-D67 HydrophobicContact CG2-CB 4.05Å; F64-D67 HydrophobicContact CB-CB 4.25Å; F64-D67 PolarHBondContact O-N 3.39Å; F64-D67 VanDerWaalsContact O-N 3.16Å; A65-D67 PolarHBondContact O-N 2.37Å; D67-Q69 PolarHBondContact O-N 3.48Å; D67-F70 VanDerWaalsContact O-CB 3.3Å; D67-F70 WeakPolarHBondContact O-CB 3.42Å; D67-F70 PolarHBondContact O-N 3.04Å; D67-F70 VanDerWaalsContact O-N 3.16Å; D67-L71 WeakPolarHBondContact O-CG 1.2Å; D67-L71 PolarHBondContact O-N 3.5Å
68I92.8Very high88.7Confident5 Ų569 Ų693%0.02635%0.346CS..Hα-helixtrans-71.1-34.3-178.5-62.7-56.5000109.5I16 A21 L25 F32 Y63 F64 A65 K66 F70 L71 A72I16-I68 HydrophobicContact CG2-CB 4.31Å; I16-I68 HydrophobicContact CG2-CG1 3.53Å; A21-I68 HydrophobicContact CB-CD1 4.02Å; A21-I68 HydrophobicContact CB-CG1 4.16Å; A21-I68 HydrophobicContact CB-CG2 4.3Å; L25-I68 HydrophobicContact CD1-CG2 4.11Å; L25-I68 HydrophobicContact CD2-CG2 4.46Å; L25-I68 HydrophobicContact CG-CG2 4.11Å; F32-I68 HydrophobicContact CE2-CD1 4.1Å; F32-I68 HydrophobicContact CZ-CD1 4.22Å; Y63-I68 HydrophobicContact CG-CD1 4.37Å; F64-I68 WeakPolarHBondContact O-CG1 3.35Å; F64-I68 PolarHBondContact O-N 3.43Å; A65-I68 PolarHBondContact O-N 1.92Å; K66-I68 VanDerWaalsContact C-N 3.29Å; I68-F70 PolarHBondContact O-N 1.83Å; I68-L71 HydrophobicContact CD1-CD1 3.79Å; I68-L71 WeakPolarHBondContact O-CB 3.44Å; I68-L71 PolarHBondContact O-N 3.44Å; I68-A72 PolarHBondContact O-N 2.91Å; I68-A72 VanDerWaalsContact O-N 3.1Å
69Q91.8Very high88.4Confident131 Ų13168.5 Ų68.561%0.61234%0.337SS*.Hα-helixtrans-62.8-38.9175.3-170.8173.20.500111.1A65 K66 D67 L71 A72A65-Q69 PolarHBondContact O-N 3.42Å; K66-Q69 WeakPolarHBondContact O-CB 3.48Å; K66-Q69 PolarHBondContact O-N 2.89Å; D67-Q69 PolarHBondContact O-N 3.48Å; Q69-L71 PolarHBondContact O-N 3.3Å; Q69-A72 WeakPolarHBondContact O-CB 2.34Å; Q69-A72 PolarHBondContact O-N 2.92Å
70F89Confident88.2Confident116 Ų11660.4 Ų60.451%0.50930%0.299SS..Hα-helixtrans-64.1-31.5177180-103.6000111K66 D67 I68 A72 H73 E74K66-F70 PolarHBondContact O-N 3.49Å; D67-F70 VanDerWaalsContact O-CB 3.3Å; D67-F70 WeakPolarHBondContact O-CB 3.42Å; D67-F70 PolarHBondContact O-N 3.04Å; D67-F70 VanDerWaalsContact O-N 3.16Å; I68-F70 PolarHBondContact O-N 1.83Å; F70-A72 PolarHBondContact O-N 2.91Å; F70-H73 PolarHBondContact O-N 3.2Å; F70-E74 WeakPolarHBondContact CE1-OE1 1.52Å; F70-E74 WeakPolarHBondContact CZ-OE1 3.01Å
71L87.5Confident88Confident0 Ų059.9 Ų59.90%030%0.297CS..Hα-helixtrans-72.9-27.4-178.5-78.8172.7000110.9L25 L35 K39 I41 D67 I68 Q69 H73 E74 I77L25-L71 HydrophobicContact CD1-CB 4.31Å; L25-L71 HydrophobicContact CD1-CD1 4.39Å; L25-L71 HydrophobicContact CD2-CB 4.29Å; L35-L71 HydrophobicContact CD1-CD2 4.45Å; L35-L71 HydrophobicContact CD2-CB 4.22Å; L35-L71 HydrophobicContact CD2-CD1 4.46Å; L35-L71 HydrophobicContact CD2-CD2 3.72Å; L35-L71 HydrophobicContact CD2-CG 4.37Å; L35-L71 HydrophobicContact CG-CD2 3.68Å; K39-L71 HydrophobicContact CB-CD2 3.99Å; K39-L71 HydrophobicContact CG-CD2 3.59Å; I41-L71 HydrophobicContact CD1-CB 4.49Å; I41-L71 HydrophobicContact CD1-CD1 2.9Å; I41-L71 HydrophobicContact CD1-CD2 3.31Å; I41-L71 HydrophobicContact CD1-CG 3Å; I41-L71 HydrophobicContact CG1-CD1 4.33Å; D67-L71 WeakPolarHBondContact O-CG 1.2Å; D67-L71 PolarHBondContact O-N 3.5Å; I68-L71 HydrophobicContact CD1-CD1 3.79Å; I68-L71 WeakPolarHBondContact O-CB 3.44Å; I68-L71 PolarHBondContact O-N 3.44Å; Q69-L71 PolarHBondContact O-N 3.3Å; L71-H73 PolarHBondContact O-N 3.08Å; L71-H73 VanDerWaalsContact O-N 3.1Å; L71-E74 HydrophobicContact CD2-CG 4.3Å; L71-E74 WeakPolarHBondContact O-CB 3.39Å; L71-E74 PolarHBondContact O-N 3.07Å; L71-I77 WeakPolarHBondContact O-CD1 2.64Å
72A88.4Confident87.7Confident55 Ų5561.7 Ų61.746%0.45530%0.301SS..Hα-helixtrans-64.1-22.7-176.700000110.9L25 I68 Q69 F70 E74L25-A72 HydrophobicContact CD2-CB 3.92Å; I68-A72 PolarHBondContact O-N 2.91Å; I68-A72 VanDerWaalsContact O-N 3.1Å; Q69-A72 WeakPolarHBondContact O-CB 2.34Å; Q69-A72 PolarHBondContact O-N 2.92Å; F70-A72 PolarHBondContact O-N 2.91Å; A72-E74 VanDerWaalsContact C-N 3.33Å
73H85Confident87.3Confident156 Ų15662.8 Ų62.872%0.72231%0.306SS*.THydrogen-bonded Turntrans-100.46.8-177.9-68.2-71000110.8F70 L71F70-H73 PolarHBondContact O-N 3.2Å; L71-H73 PolarHBondContact O-N 3.08Å; L71-H73 VanDerWaalsContact O-N 3.1Å
74E81.4Confident86.9Confident13 Ų1367.7 Ų67.76%0.06133%0.328CS..  trans-75134.8-178.7-77.6-69.7159.800111K39 F70 L71 A72 L76 I77K39-E74 HydrophobicContact CD-CG 4.3Å; K39-E74 WeakPolarHBondContact CE-OE1 3.37Å; K39-E74 WeakPolarHBondContact CE-OE2 2.61Å; K39-E74 IonicContact NZ-OE1 3.62Å; K39-E74 PolarHBondContact NZ-OE1 2.57Å; K39-E74 IonicContact NZ-OE2 3.87Å; K39-E74 PolarHBondContact NZ-OE2 3.41Å; F70-E74 WeakPolarHBondContact CE1-OE1 1.52Å; F70-E74 WeakPolarHBondContact CZ-OE1 3.01Å; L71-E74 HydrophobicContact CD2-CG 4.3Å; L71-E74 WeakPolarHBondContact O-CB 3.39Å; L71-E74 PolarHBondContact O-N 3.07Å; A72-E74 VanDerWaalsContact C-N 3.33Å; E74-L76 PolarHBondContact O-N 3.05Å; E74-I77 HydrophobicContact CB-CD1 4.49Å; E74-I77 HydrophobicContact CB-CG1 4.49Å; E74-I77 WeakPolarHBondContact O-CB 3.26Å; E74-I77 PolarHBondContact O-N 2.41Å
75P81.8Confident86.6Confident84 Ų8468.1 Ų68.155%0.54534%0.335SS..Hα-helixtrans-68.1-18-17720.9-29.1000111.8I77 N78 K79P75-I77 PolarHBondContact O-N 3.06Å; P75-N78 WeakPolarHBondContact O-CB 1.42Å; P75-N78 PolarHBondContact O-N 3.1Å; P75-N78 VanDerWaalsContact O-N 3.1Å; P75-K79 PolarHBondContact O-N 3.01Å
76L80.4Confident86.4Confident9 Ų967.9 Ų67.95%0.04733%0.33CS..Hα-helixtrans-67.8-24.5-177.8-72.7173.5000111L35 I38 E74 N78 K79 F80 L112L35-L76 HydrophobicContact CD1-CB 4.02Å; L35-L76 HydrophobicContact CD1-CD1 4.16Å; I38-L76 HydrophobicContact CD1-CD1 4.47Å; I38-L76 HydrophobicContact CG2-CD1 3.95Å; E74-L76 PolarHBondContact O-N 3.05Å; L76-N78 PolarHBondContact O-N 3.2Å; L76-K79 WeakPolarHBondContact O-CB 2.8Å; L76-K79 PolarHBondContact O-N 3.03Å; L76-F80 WeakPolarHBondContact O-CG 2.72Å; L76-F80 PolarHBondContact O-N 3.31Å; L76-L112 HydrophobicContact CD2-CD2 4.12Å
77I83.9Confident86.2Confident5 Ų564.1 Ų64.13%0.02632%0.317CS..Hα-helixtrans-68.4-37.5-178.8-69.8174.3000109.7L25 L27 L35 L71 E74 P75 K79 F80 R81L25-I77 HydrophobicContact CD2-CD1 4.15Å; L27-I77 HydrophobicContact CD1-CD1 4.46Å; L27-I77 HydrophobicContact CD1-CG1 4.21Å; L27-I77 HydrophobicContact CD2-CG2 4.16Å; L35-I77 HydrophobicContact CD2-CD1 4.02Å; L35-I77 HydrophobicContact CD2-CG1 3.8Å; L71-I77 WeakPolarHBondContact O-CD1 2.64Å; E74-I77 HydrophobicContact CB-CD1 4.49Å; E74-I77 HydrophobicContact CB-CG1 4.49Å; E74-I77 WeakPolarHBondContact O-CB 3.26Å; E74-I77 PolarHBondContact O-N 2.41Å; P75-I77 PolarHBondContact O-N 3.06Å; I77-K79 PolarHBondContact O-N 3.33Å; I77-F80 WeakPolarHBondContact O-CB 3.45Å; I77-F80 PolarHBondContact O-N 3.16Å; I77-F80 VanDerWaalsContact O-N 3.12Å; I77-R81 WeakPolarHBondContact O-CG 3.35Å; I77-R81 PolarHBondContact O-N 3.36Å; I77-R81 VanDerWaalsContact O-N 3.11Å
78N85.3Confident86Confident88 Ų8868 Ų6847%0.47133%0.332SS..Hα-helixtrans-67-28.9178.7-69.3-25.1000111.7P75 L76 F80 R81 E82P75-N78 WeakPolarHBondContact O-CB 1.42Å; P75-N78 PolarHBondContact O-N 3.1Å; P75-N78 VanDerWaalsContact O-N 3.1Å; L76-N78 PolarHBondContact O-N 3.2Å; N78-F80 VanDerWaalsContact C-N 3.29Å; N78-R81 WeakPolarHBondContact O-CB 3.11Å; N78-R81 PolarHBondContact O-N 3.34Å; N78-E82 VanDerWaalsContact O-CG 3.25Å; N78-E82 WeakPolarHBondContact O-CG 3.38Å; N78-E82 PolarHBondContact O-N 3.45Å
79K81.3Confident85.8Confident79 Ų7975.2 Ų75.234%0.34336%0.358SS..Hα-helixtrans-74.9-36.8179.1-69.7-68-174.3-175.50111P75 L76 I77 R81 E82 F83 L112P75-K79 PolarHBondContact O-N 3.01Å; L76-K79 WeakPolarHBondContact O-CB 2.8Å; L76-K79 PolarHBondContact O-N 3.03Å; I77-K79 PolarHBondContact O-N 3.33Å; K79-R81 PolarHBondContact O-N 3Å; K79-E82 WeakPolarHBondContact CD-OE2 3.33Å; K79-E82 IonicContact NZ-OE2 3.47Å; K79-E82 PolarHBondContact O-N 3.47Å; K79-E82 VanDerWaalsContact O-N 3.13Å; K79-F83 WeakPolarHBondContact O-CB 3.44Å; K79-F83 PolarHBondContact O-N 1.92Å; K79-L112 HydrophobicContact CB-CD2 3.53Å; K79-L112 HydrophobicContact CD-CD2 3.99Å; K79-L112 HydrophobicContact CG-CD2 3.46Å; K79-L112 VanDerWaalsContact CG-CD2 3.46Å
80F82.4Confident85.7Confident7 Ų770.4 Ų70.43%0.03134%0.337CS..Hα-helixtrans-60.8-32.6175.5-72.3-27.3000110.8D31 R34 L35 L76 I77 N78 E82 F83 K84 F130D31-F80 HydrophobicContact CB-CD2 4.31Å; R34-F80 HydrophobicContact CG-CZ 4.4Å; L35-F80 HydrophobicContact CB-CE2 4.34Å; L35-F80 HydrophobicContact CD1-CE2 4.21Å; L76-F80 WeakPolarHBondContact O-CG 2.72Å; L76-F80 PolarHBondContact O-N 3.31Å; I77-F80 WeakPolarHBondContact O-CB 3.45Å; I77-F80 PolarHBondContact O-N 3.16Å; I77-F80 VanDerWaalsContact O-N 3.12Å; N78-F80 VanDerWaalsContact C-N 3.29Å; F80-E82 VanDerWaalsContact C-N 3.28Å; F80-E82 PolarHBondContact O-N 3.29Å; F80-F83 WeakPolarHBondContact O-CB 3.3Å; F80-F83 PolarHBondContact O-N 3.22Å; F80-K84 PolarHBondContact O-N 2.78Å; F80-F130 HydrophobicContact CD1-CD1 4.09Å; F80-F130 AromaticContact CD1-CE1 2.98Å; F80-F130 HydrophobicContact CD1-CE1 2.98Å; F80-F130 HydrophobicContact CD1-CE2 4.48Å; F80-F130 AromaticContact CD1-CZ 3.25Å; F80-F130 HydrophobicContact CD1-CZ 3.25Å; F80-F130 AromaticContact CE1-CD1 3.36Å; F80-F130 HydrophobicContact CE1-CD1 3.36Å; F80-F130 AromaticContact CE1-CE1 2.69Å; F80-F130 HydrophobicContact CE1-CE1 2.69Å; F80-F130 HydrophobicContact CE1-CE2 4.26Å; F80-F130 HydrophobicContact CE1-CG 4.35Å; F80-F130 AromaticContact CE1-CZ 3.25Å; F80-F130 HydrophobicContact CE1-CZ 3.25Å; F80-F130 HydrophobicContact CG-CE1 4.37Å; F80-F130 HydrophobicContact CZ-CD1 4.37Å; F80-F130 AromaticContact CZ-CE1 3.98Å; F80-F130 HydrophobicContact CZ-CE1 3.98Å
81R85.7Confident85.7Confident115 Ų11570.9 Ų70.943%0.43434%0.34SS..Hα-helixtrans-73.8-37.9-178.8-68.5-179.6179.7174.81.4111I77 N78 K79 F83 K84 V85I77-R81 WeakPolarHBondContact O-CG 3.35Å; I77-R81 PolarHBondContact O-N 3.36Å; I77-R81 VanDerWaalsContact O-N 3.11Å; N78-R81 WeakPolarHBondContact O-CB 3.11Å; N78-R81 PolarHBondContact O-N 3.34Å; K79-R81 PolarHBondContact O-N 3Å; R81-F83 PolarHBondContact O-N 3.44Å; R81-K84 WeakPolarHBondContact O-CB 3.34Å; R81-K84 PolarHBondContact O-N 2.96Å; R81-V85 WeakPolarHBondContact O-CG2 3.11Å; R81-V85 PolarHBondContact O-N 3.26Å
82E85.9Confident85.9Confident92 Ų9279.2 Ų79.243%0.4337%0.372SS..Hα-helixtrans-64.2-35.5177.1-71.5175.1-173.900110.9N78 K79 F80 K84 V85 F86N78-E82 VanDerWaalsContact O-CG 3.25Å; N78-E82 WeakPolarHBondContact O-CG 3.38Å; N78-E82 PolarHBondContact O-N 3.45Å; K79-E82 WeakPolarHBondContact CD-OE2 3.33Å; K79-E82 IonicContact NZ-OE2 3.47Å; K79-E82 PolarHBondContact O-N 3.47Å; K79-E82 VanDerWaalsContact O-N 3.13Å; F80-E82 VanDerWaalsContact C-N 3.28Å; F80-E82 PolarHBondContact O-N 3.29Å; E82-K84 PolarHBondContact O-N 2.87Å; E82-V85 WeakPolarHBondContact O-CB 3.34Å; E82-V85 PolarHBondContact O-N 3.3Å; E82-F86 WeakPolarHBondContact O-CB 1.54Å; E82-F86 PolarHBondContact O-N 3.49Å
83F83.8Confident85.9Confident41 Ų4176.9 Ų76.918%0.1835%0.352CS..Hα-helixtrans-69.9-37.9-179.1-174.2-105.1000110.2K79 F80 R81 V85 F86 L87 P110 F130K79-F83 WeakPolarHBondContact O-CB 3.44Å; K79-F83 PolarHBondContact O-N 1.92Å; F80-F83 WeakPolarHBondContact O-CB 3.3Å; F80-F83 PolarHBondContact O-N 3.22Å; R81-F83 PolarHBondContact O-N 3.44Å; F83-V85 PolarHBondContact O-N 3.34Å; F83-F86 HydrophobicContact CD2-CD1 4.39Å; F83-F86 HydrophobicContact CE2-CD1 4.3Å; F83-F86 WeakPolarHBondContact O-CA 3.23Å; F83-F86 VanDerWaalsContact O-CB 3.27Å; F83-F86 WeakPolarHBondContact O-CB 1.66Å; F83-F86 PolarHBondContact O-N 3.44Å; F83-F86 VanDerWaalsContact O-N 3.08Å; F83-L87 HydrophobicContact CD1-CD1 3.81Å; F83-L87 HydrophobicContact CD1-CG 4.13Å; F83-L87 HydrophobicContact CE1-CD1 3.43Å; F83-L87 VanDerWaalsContact CE1-CD1 3.43Å; F83-L87 HydrophobicContact CE1-CD2 4.22Å; F83-L87 HydrophobicContact CE1-CG 3.81Å; F83-L87 HydrophobicContact CZ-CD1 4.26Å; F83-L87 HydrophobicContact CZ-CD2 4.19Å; F83-L87 HydrophobicContact CZ-CG 4.22Å; F83-L87 WeakPolarHBondContact O-CG 2.11Å; F83-L87 PolarHBondContact O-N 2.98Å; F83-P110 HydrophobicContact CB-CG 4.49Å; F83-P110 HydrophobicContact CD2-CG 4.14Å; F83-F130 HydrophobicContact CD1-CZ 4.43Å; F83-F130 HydrophobicContact CG-CZ 4.37Å
84K86.3Confident86.2Confident125 Ų12575.6 Ų75.654%0.54334%0.344SS..Hα-helixtrans-63.7-39.6177.9-168.1172.9-179.8176.80111.2F80 R81 E82 F86 L87 K88F80-K84 PolarHBondContact O-N 2.78Å; R81-K84 WeakPolarHBondContact O-CB 3.34Å; R81-K84 PolarHBondContact O-N 2.96Å; E82-K84 PolarHBondContact O-N 2.87Å; K84-F86 PolarHBondContact O-N 3.26Å; K84-L87 PolarHBondContact O-N 2.87Å; K84-L87 VanDerWaalsContact O-N 3.16Å; K84-K88 WeakPolarHBondContact O-CG 3.5Å; K84-K88 PolarHBondContact O-N 3.43Å
85V88.9Confident86.7Confident68 Ų6880 Ų8041%0.41237%0.372SS..Hα-helixtrans-64-36.7177.5173.50000109.9R81 E82 F83 L87 K88 R89R81-V85 WeakPolarHBondContact O-CG2 3.11Å; R81-V85 PolarHBondContact O-N 3.26Å; E82-V85 WeakPolarHBondContact O-CB 3.34Å; E82-V85 PolarHBondContact O-N 3.3Å; F83-V85 PolarHBondContact O-N 3.34Å; V85-L87 VanDerWaalsContact C-N 3.26Å; V85-L87 PolarHBondContact O-N 2.83Å; V85-K88 PolarHBondContact O-N 3.3Å; V85-R89 HydrophobicContact CG1-CG 4.44Å; V85-R89 VanDerWaalsContact O-CG 3.32Å; V85-R89 WeakPolarHBondContact O-CG 2.39Å; V85-R89 PolarHBondContact O-N 3.42Å
86F87.6Confident87.2Confident19 Ų1981.6 Ų81.68%0.08337%0.372CS..Hα-helixtrans-65.6-40.9-180165.3-103.6000110.3E82 F83 K84 K88 R89 L90 V105 R109 P110E82-F86 WeakPolarHBondContact O-CB 1.54Å; E82-F86 PolarHBondContact O-N 3.49Å; F83-F86 HydrophobicContact CD2-CD1 4.39Å; F83-F86 HydrophobicContact CE2-CD1 4.3Å; F83-F86 WeakPolarHBondContact O-CA 3.23Å; F83-F86 VanDerWaalsContact O-CB 3.27Å; F83-F86 WeakPolarHBondContact O-CB 1.66Å; F83-F86 PolarHBondContact O-N 3.44Å; F83-F86 VanDerWaalsContact O-N 3.08Å; K84-F86 PolarHBondContact O-N 3.26Å; F86-K88 PolarHBondContact O-N 3.2Å; F86-R89 WeakPolarHBondContact O-CB 2.31Å; F86-R89 PolarHBondContact O-N 3.37Å; F86-R89 VanDerWaalsContact O-N 3.11Å; F86-L90 WeakPolarHBondContact O-CB 1.92Å; F86-L90 PolarHBondContact O-N 3.22Å; F86-V105 HydrophobicContact CD2-CG1 3.7Å; F86-V105 HydrophobicContact CE2-CG1 3.42Å; F86-V105 VanDerWaalsContact CE2-CG1 3.42Å; F86-V105 WeakPolarHBondContact CE2-O 3.15Å; F86-V105 HydrophobicContact CZ-CG1 4.34Å; F86-R109 HydrophobicContact CE1-CB 4.49Å; F86-R109 HydrophobicContact CE1-CG 4.24Å; F86-R109 HydrophobicContact CE2-CB 4.19Å; F86-R109 HydrophobicContact CZ-CB 3.94Å; F86-R109 HydrophobicContact CZ-CG 4.19Å; F86-P110 HydrophobicContact CB-CG 4.18Å; F86-P110 HydrophobicContact CG-CG 4.5Å
87L87.4Confident87.4Confident83 Ų8383.6 Ų83.644%0.43540%0.395SS..Hα-helixtrans-66.9-35-178.7-74.7177.7000110.4F83 K84 V85 R89 L90 H91F83-L87 HydrophobicContact CD1-CD1 3.81Å; F83-L87 HydrophobicContact CD1-CG 4.13Å; F83-L87 HydrophobicContact CE1-CD1 3.43Å; F83-L87 VanDerWaalsContact CE1-CD1 3.43Å; F83-L87 HydrophobicContact CE1-CD2 4.22Å; F83-L87 HydrophobicContact CE1-CG 3.81Å; F83-L87 HydrophobicContact CZ-CD1 4.26Å; F83-L87 HydrophobicContact CZ-CD2 4.19Å; F83-L87 HydrophobicContact CZ-CG 4.22Å; F83-L87 WeakPolarHBondContact O-CG 2.11Å; F83-L87 PolarHBondContact O-N 2.98Å; K84-L87 PolarHBondContact O-N 2.87Å; K84-L87 VanDerWaalsContact O-N 3.16Å; V85-L87 VanDerWaalsContact C-N 3.26Å; V85-L87 PolarHBondContact O-N 2.83Å; L87-R89 PolarHBondContact O-N 2.99Å; L87-L90 PolarHBondContact O-N 2.99Å; L87-H91 WeakPolarHBondContact O-CB 3Å; L87-H91 PolarHBondContact O-N 3.22Å
88K89.2Confident87.5Confident138 Ų13886.5 Ų86.560%0.641%0.41SS*.Hα-helixtrans-67.4-37.5178.1-76.9-175.7-175.3177.70111.1K84 V85 F86 L90 H91 R92K84-K88 WeakPolarHBondContact O-CG 3.5Å; K84-K88 PolarHBondContact O-N 3.43Å; V85-K88 PolarHBondContact O-N 3.3Å; F86-K88 PolarHBondContact O-N 3.2Å; K88-L90 PolarHBondContact O-N 3.19Å; K88-H91 PolarHBondContact O-N 2.99Å; K88-R92 WeakPolarHBondContact O-CB 3.38Å; K88-R92 PolarHBondContact O-N 3.5Å
89R88.5Confident87.6Confident156 Ų15688.6 Ų88.659%0.58942%0.417SS*.Hα-helixtrans-70-36.4179.1-74.3-176.2-176.9177.30.8110.8V85 F86 L87 H91 R92 A93 V105V85-R89 HydrophobicContact CG1-CG 4.44Å; V85-R89 VanDerWaalsContact O-CG 3.32Å; V85-R89 WeakPolarHBondContact O-CG 2.39Å; V85-R89 PolarHBondContact O-N 3.42Å; F86-R89 WeakPolarHBondContact O-CB 2.31Å; F86-R89 PolarHBondContact O-N 3.37Å; F86-R89 VanDerWaalsContact O-N 3.11Å; L87-R89 PolarHBondContact O-N 2.99Å; R89-H91 VanDerWaalsContact C-N 3.3Å; R89-R92 PolarHBondContact O-N 3.32Å; R89-A93 WeakPolarHBondContact O-CB 3.44Å; R89-A93 PolarHBondContact O-N 3.18Å; R89-V105 HydrophobicContact CB-CG1 4.08Å
90L89.4Confident87.9Confident29 Ų2990.6 Ų90.615%0.15243%0.432CS..Hα-helixtrans-68.7-42.2179.9-175.469.9000110.2F86 L87 K88 R92 A93 K94 V102 V105F86-L90 WeakPolarHBondContact O-CB 1.92Å; F86-L90 PolarHBondContact O-N 3.22Å; L87-L90 PolarHBondContact O-N 2.99Å; K88-L90 PolarHBondContact O-N 3.19Å; L90-R92 PolarHBondContact O-N 2.99Å; L90-A93 PolarHBondContact O-N 3.19Å; L90-K94 WeakPolarHBondContact O-CB 3.42Å; L90-K94 WeakPolarHBondContact O-CG 3.34Å; L90-K94 PolarHBondContact O-N 2.52Å; L90-V102 HydrophobicContact CD1-CG1 3.96Å; L90-V105 HydrophobicContact CB-CG1 4.27Å; L90-V105 HydrophobicContact CD1-CB 4.46Å; L90-V105 HydrophobicContact CD1-CG1 4.27Å
91H90.2Very high88Confident127 Ų12792.9 Ų92.959%0.58844%0.443SS*.Hα-helixtrans-63.1-40.1177.9-175.166.8000111.3L87 K88 R89 A93 K94 V95L87-H91 WeakPolarHBondContact O-CB 3Å; L87-H91 PolarHBondContact O-N 3.22Å; K88-H91 PolarHBondContact O-N 2.99Å; R89-H91 VanDerWaalsContact C-N 3.3Å; H91-A93 PolarHBondContact O-N 3.38Å; H91-K94 PolarHBondContact O-N 3.02Å; H91-V95 WeakPolarHBondContact O-CB 2.95Å; H91-V95 WeakPolarHBondContact O-CG2 3.32Å; H91-V95 PolarHBondContact O-N 3.23Å
92R90.9Very high87.9Confident175 Ų17588.2 Ų88.266%0.6643%0.427SS*.Hα-helixtrans-62.5-41.1177.1-173.8178.4175.6-175.7-1.7111.4K88 R89 L90 K94 V95 E96K88-R92 WeakPolarHBondContact O-CB 3.38Å; K88-R92 PolarHBondContact O-N 3.5Å; R89-R92 PolarHBondContact O-N 3.32Å; L90-R92 PolarHBondContact O-N 2.99Å; R92-K94 PolarHBondContact O-N 3.28Å; R92-V95 PolarHBondContact O-N 2.82Å; R92-E96 IonicContact NE-OE1 3.29Å; R92-E96 PolarHBondContact NE-OE1 3.37Å; R92-E96 WeakPolarHBondContact O-CB 3.48Å; R92-E96 VanDerWaalsContact O-CG 3.31Å; R92-E96 WeakPolarHBondContact O-CG 3.48Å; R92-E96 PolarHBondContact O-N 3.24Å
93A89.4Confident88Confident5 Ų587.9 Ų87.94%0.04143%0.428CS..Hα-helixtrans-69-33.5-179.900000110.6R89 L90 H91 V95 E96 G97 D98 E101 V102R89-A93 WeakPolarHBondContact O-CB 3.44Å; R89-A93 PolarHBondContact O-N 3.18Å; L90-A93 PolarHBondContact O-N 3.19Å; H91-A93 PolarHBondContact O-N 3.38Å; A93-V95 VanDerWaalsContact C-N 3.3Å; A93-E96 PolarHBondContact O-N 3.24Å; A93-G97 PolarHBondContact O-N 3.29Å; A93-G97 VanDerWaalsContact O-N 3.14Å; A93-D98 PolarHBondContact O-N 3.41Å; A93-E101 HydrophobicContact CB-CB 4.19Å; A93-V102 HydrophobicContact CB-CG2 3.61Å
94K90.4Very high88.2Confident129 Ų12993 Ų9356%0.56145%0.446SS*.Hα-helixtrans-73.7-36.1-179.3-82.4-173.9-178.6177.10110.5L90 H91 R92 E96 G97 V102L90-K94 WeakPolarHBondContact O-CB 3.42Å; L90-K94 WeakPolarHBondContact O-CG 3.34Å; L90-K94 PolarHBondContact O-N 2.52Å; H91-K94 PolarHBondContact O-N 3.02Å; R92-K94 PolarHBondContact O-N 3.28Å; K94-E96 PolarHBondContact O-N 3.16Å; K94-G97 PolarHBondContact O-N 3.44Å; K94-G97 VanDerWaalsContact O-N 3.11Å; K94-V102 HydrophobicContact CG-CG1 4.49Å; K94-V102 HydrophobicContact CG-CG2 4.06Å
95V92.3Very high88.1Confident105 Ų10587.8 Ų87.864%0.63642%0.424SS*.Hα-helixtrans-70-32.3-179.2171.20000109.9H91 R92 A93 G97H91-V95 WeakPolarHBondContact O-CB 2.95Å; H91-V95 WeakPolarHBondContact O-CG2 3.32Å; H91-V95 PolarHBondContact O-N 3.23Å; R92-V95 PolarHBondContact O-N 2.82Å; A93-V95 VanDerWaalsContact C-N 3.3Å; V95-G97 PolarHBondContact O-N 2.72Å
96E91.4Very high87.8Confident119 Ų11987.6 Ų87.656%0.55643%0.426SS*.Hα-helixtrans-77.9-12.3179.7-78.3179.4-178.300111.1R92 A93 K94 D98R92-E96 IonicContact NE-OE1 3.29Å; R92-E96 PolarHBondContact NE-OE1 3.37Å; R92-E96 WeakPolarHBondContact O-CB 3.48Å; R92-E96 VanDerWaalsContact O-CG 3.31Å; R92-E96 WeakPolarHBondContact O-CG 3.48Å; R92-E96 PolarHBondContact O-N 3.24Å; A93-E96 PolarHBondContact O-N 3.24Å; K94-E96 PolarHBondContact O-N 3.16Å; E96-D98 PolarHBondContact O-N 3.24Å
97G84.9Confident87.5Confident50 Ų5095.4 Ų95.452%0.51546%0.46SS..THydrogen-bonded Turntrans75.49.9175.700000111.7A93 K94 V95 Q99A93-G97 PolarHBondContact O-N 3.29Å; A93-G97 VanDerWaalsContact O-N 3.14Å; K94-G97 PolarHBondContact O-N 3.44Å; K94-G97 VanDerWaalsContact O-N 3.11Å; V95-G97 PolarHBondContact O-N 2.72Å; G97-Q99 PolarHBondContact O-N 3.06Å
98D87.3Confident87.1Confident67 Ų6795.9 Ų95.936%0.35847%0.467SS..  trans-84.5101.8178.6-164.6-8.9000109.6A93 E96 D100 E101 V102A93-D98 PolarHBondContact O-N 3.41Å; E96-D98 PolarHBondContact O-N 3.24Å; D98-D100 PolarHBondContact O-N 2.68Å; D98-D100 PolarHBondContact OD1-N 3.01Å; D98-E101 HydrophobicContact CB-CB 3.99Å; D98-E101 HydrophobicContact CB-CG 4.17Å; D98-E101 PolarHBondContact O-N 3.4Å; D98-E101 WeakPolarHBondContact OD2-CG 3.29Å; D98-V102 WeakPolarHBondContact O-CG2 2.99Å; D98-V102 PolarHBondContact O-N 3.37Å; D98-V102 VanDerWaalsContact O-N 3.13Å
99Q87.3Confident86.3Confident131 Ų13192 Ų9261%0.61245%0.448SS*.Hα-helixtrans-66.2-28.7-175.5-68.1-65.6-15.700110.7G97 E101 V102 N103G97-Q99 PolarHBondContact O-N 3.06Å; Q99-E101 VanDerWaalsContact C-N 3.27Å; Q99-E101 PolarHBondContact O-N 3.35Å; Q99-V102 WeakPolarHBondContact O-CB 3.35Å; Q99-V102 PolarHBondContact O-N 3.44Å; Q99-N103 VanDerWaalsContact O-CG 3.29Å; Q99-N103 PolarHBondContact O-N 3.34Å; Q99-N103 PolarHBondContact O-ND2 3.5Å
100D87.2Confident85.2Confident121 Ų12186 Ų8665%0.64743%0.43SS*.Hα-helixtrans-69.8-40.1-178.6-70.2-25.9000110.9D98 V102 N103 R104D98-D100 PolarHBondContact O-N 2.68Å; D98-D100 PolarHBondContact OD1-N 3.01Å; D100-V102 PolarHBondContact O-N 2.66Å; D100-N103 PolarHBondContact O-N 3.03Å; D100-R104 WeakPolarHBondContact O-CB 3.41Å; D100-R104 PolarHBondContact O-N 3.25Å
101E83.1Confident83.9Confident56 Ų5688.2 Ų88.226%0.26244%0.441SS..Hα-helixtrans-69.5-36.5178.7-80.4-66.5136.900111A93 D98 Q99 N103 R104 V105A93-E101 HydrophobicContact CB-CB 4.19Å; D98-E101 HydrophobicContact CB-CB 3.99Å; D98-E101 HydrophobicContact CB-CG 4.17Å; D98-E101 PolarHBondContact O-N 3.4Å; D98-E101 WeakPolarHBondContact OD2-CG 3.29Å; Q99-E101 VanDerWaalsContact C-N 3.27Å; Q99-E101 PolarHBondContact O-N 3.35Å; E101-N103 PolarHBondContact O-N 3.03Å; E101-R104 VanDerWaalsContact CD-NH2 3.29Å; E101-R104 WeakPolarHBondContact O-CB 2.96Å; E101-R104 PolarHBondContact O-N 3.47Å; E101-R104 IonicContact OE1-CZ 3.17Å; E101-R104 IonicContact OE1-NE 3.51Å; E101-R104 IonicContact OE1-NH1 3.61Å; E101-R104 IonicContact OE1-NH2 3.25Å; E101-R104 PolarHBondContact OE1-NH2 2.89Å; E101-R104 IonicContact OE2-CZ 3.15Å; E101-R104 IonicContact OE2-NE 3.28Å; E101-R104 PolarHBondContact OE2-NE 3.44Å; E101-R104 IonicContact OE2-NH2 2.58Å; E101-R104 PolarHBondContact OE2-NH2 3.22Å; E101-V105 WeakPolarHBondContact O-CB 3.49Å; E101-V105 WeakPolarHBondContact O-CG2 3.27Å; E101-V105 PolarHBondContact O-N 3.39Å
102V85Confident82.1Confident17 Ų1783.4 Ų83.410%0.10342%0.42CS..Hα-helixtrans-61.8-42.9177.6172.40000109.8L90 A93 K94 D98 Q99 D100 R104 V105 S106L90-V102 HydrophobicContact CD1-CG1 3.96Å; A93-V102 HydrophobicContact CB-CG2 3.61Å; K94-V102 HydrophobicContact CG-CG1 4.49Å; K94-V102 HydrophobicContact CG-CG2 4.06Å; D98-V102 WeakPolarHBondContact O-CG2 2.99Å; D98-V102 PolarHBondContact O-N 3.37Å; D98-V102 VanDerWaalsContact O-N 3.13Å; Q99-V102 WeakPolarHBondContact O-CB 3.35Å; Q99-V102 PolarHBondContact O-N 3.44Å; D100-V102 PolarHBondContact O-N 2.66Å; V102-R104 PolarHBondContact O-N 3.17Å; V102-V105 PolarHBondContact O-N 2.95Å; V102-S106 WeakPolarHBondContact O-CA 3.49Å; V102-S106 WeakPolarHBondContact O-CB 3.39Å; V102-S106 PolarHBondContact O-N 3.48Å
103N87.8Confident79.8Confident84 Ų8483.8 Ų83.845%0.44943%0.426SS..Hα-helixtrans-66.5-32.8178.1-72.8-21.8000111.7Q99 D100 E101 V105 S106 K107Q99-N103 VanDerWaalsContact O-CG 3.29Å; Q99-N103 PolarHBondContact O-N 3.34Å; Q99-N103 PolarHBondContact O-ND2 3.5Å; D100-N103 PolarHBondContact O-N 3.03Å; E101-N103 PolarHBondContact O-N 3.03Å; N103-V105 VanDerWaalsContact C-N 3.32Å; N103-S106 PolarHBondContact O-N 3.04Å; N103-K107 WeakPolarHBondContact O-CG 3.46Å; N103-K107 PolarHBondContact O-N 2.89Å
104R87.5Confident77.2Confident150 Ų15086.3 Ų86.357%0.56644%0.435SS*.Hα-helixtrans-71.1-45-179.6-171.7179.670.7164.7-2.4110.4D100 E101 V102 S106 K107 T108D100-R104 WeakPolarHBondContact O-CB 3.41Å; D100-R104 PolarHBondContact O-N 3.25Å; E101-R104 VanDerWaalsContact CD-NH2 3.29Å; E101-R104 WeakPolarHBondContact O-CB 2.96Å; E101-R104 PolarHBondContact O-N 3.47Å; E101-R104 IonicContact OE1-CZ 3.17Å; E101-R104 IonicContact OE1-NE 3.51Å; E101-R104 IonicContact OE1-NH1 3.61Å; E101-R104 IonicContact OE1-NH2 3.25Å; E101-R104 PolarHBondContact OE1-NH2 2.89Å; E101-R104 IonicContact OE2-CZ 3.15Å; E101-R104 IonicContact OE2-NE 3.28Å; E101-R104 PolarHBondContact OE2-NE 3.44Å; E101-R104 IonicContact OE2-NH2 2.58Å; E101-R104 PolarHBondContact OE2-NH2 3.22Å; V102-R104 PolarHBondContact O-N 3.17Å; R104-S106 PolarHBondContact O-N 3.42Å; R104-K107 WeakPolarHBondContact O-CB 3.3Å; R104-K107 PolarHBondContact O-N 3.27Å; R104-T108 PolarHBondContact O-N 2.98Å; R104-T108 VanDerWaalsContact O-N 3.15Å; R104-T108 PolarHBondContact O-OG1 3.39Å
105V85.2Confident74.4Confident14 Ų1488 Ų889%0.08545%0.45CS..Hα-helixtrans-68.8-35.2-177.2173.30000108.9F86 R89 L90 E101 V102 N103 K107 T108F86-V105 HydrophobicContact CD2-CG1 3.7Å; F86-V105 HydrophobicContact CE2-CG1 3.42Å; F86-V105 VanDerWaalsContact CE2-CG1 3.42Å; F86-V105 WeakPolarHBondContact CE2-O 3.15Å; F86-V105 HydrophobicContact CZ-CG1 4.34Å; R89-V105 HydrophobicContact CB-CG1 4.08Å; L90-V105 HydrophobicContact CB-CG1 4.27Å; L90-V105 HydrophobicContact CD1-CB 4.46Å; L90-V105 HydrophobicContact CD1-CG1 4.27Å; E101-V105 WeakPolarHBondContact O-CB 3.49Å; E101-V105 WeakPolarHBondContact O-CG2 3.27Å; E101-V105 PolarHBondContact O-N 3.39Å; V102-V105 PolarHBondContact O-N 2.95Å; N103-V105 VanDerWaalsContact C-N 3.32Å; V105-K107 PolarHBondContact O-N 3.03Å; V105-T108 PolarHBondContact O-N 3.42Å
106S81.1Confident71.5Confident64 Ų6494.5 Ų94.545%0.44846%0.463SS..Hα-helixtrans-62-30.4178-176.30000111.5V102 N103 R104 T108 R109V102-S106 WeakPolarHBondContact O-CA 3.49Å; V102-S106 WeakPolarHBondContact O-CB 3.39Å; V102-S106 PolarHBondContact O-N 3.48Å; N103-S106 PolarHBondContact O-N 3.04Å; R104-S106 PolarHBondContact O-N 3.42Å; S106-T108 VanDerWaalsContact C-N 3.28Å; S106-R109 WeakPolarHBondContact O-CB 3.35Å; S106-R109 PolarHBondContact O-N 3.34Å
107K82.1Confident68.7Low183 Ų18394.5 Ų94.580%0.79647%0.466SS*.Hα-helixtrans-76.4-27179.8-73-178.9-175.7175.90110.8N103 R104 V105 R109N103-K107 WeakPolarHBondContact O-CG 3.46Å; N103-K107 PolarHBondContact O-N 2.89Å; R104-K107 WeakPolarHBondContact O-CB 3.3Å; R104-K107 PolarHBondContact O-N 3.27Å; V105-K107 PolarHBondContact O-N 3.03Å; K107-R109 PolarHBondContact O-N 2.54Å; K107-R109 VanDerWaalsContact O-N 3.15Å
108T79.8Confident66.1Low94 Ų9497.5 Ų97.558%0.57747%0.474SS*.THydrogen-bonded Turntrans-83.115.1-178.9-54.90000110R104 V105 S106 P110R104-T108 PolarHBondContact O-N 2.98Å; R104-T108 VanDerWaalsContact O-N 3.15Å; R104-T108 PolarHBondContact O-OG1 3.39Å; V105-T108 PolarHBondContact O-N 3.42Å; S106-T108 VanDerWaalsContact C-N 3.28Å; T108-P110 WeakPolarHBondContact O-CD 3.45Å
109R71.2Confident63.3Low57 Ų57103.8 Ų103.822%0.21550%0.498CS..  trans-52.4124.4-179.2-179.2174.7178.1-174.60.2110.8F86 S106 K107 L111F86-R109 HydrophobicContact CE1-CB 4.49Å; F86-R109 HydrophobicContact CE1-CG 4.24Å; F86-R109 HydrophobicContact CE2-CB 4.19Å; F86-R109 HydrophobicContact CZ-CB 3.94Å; F86-R109 HydrophobicContact CZ-CG 4.19Å; S106-R109 WeakPolarHBondContact O-CB 3.35Å; S106-R109 PolarHBondContact O-N 3.34Å; K107-R109 PolarHBondContact O-N 2.54Å; K107-R109 VanDerWaalsContact O-N 3.15Å; R109-L111 PolarHBondContact O-N 3.17Å
110P66.8Low60.6Low30 Ų30105.8 Ų105.820%0.19551%0.507CS..  trans-70.8102.5179.120.8-24000111.7F83 F86 T108F83-P110 HydrophobicContact CB-CG 4.49Å; F83-P110 HydrophobicContact CD2-CG 4.14Å; F86-P110 HydrophobicContact CB-CG 4.18Å; F86-P110 HydrophobicContact CG-CG 4.5Å; T108-P110 WeakPolarHBondContact O-CD 3.45Å
111L60.3Low58.2Low74 Ų74104 Ų10439%0.38750%0.504SS..  trans-84.5124.3171.8-66169000109.9R109 K113 D129R109-L111 PolarHBondContact O-N 3.17Å; L111-K113 HydrophobicContact CB-CG 4.1Å; L111-K113 PolarHBondContact O-N 3.45Å; L111-D129 HydrophobicContact CD2-CB 3.65Å; L111-D129 WeakPolarHBondContact CD2-OD2 3.5Å
112L52.8Low55.8Low27 Ų27107.5 Ų107.514%0.14153%0.525CS..  trans-56.872.5172.9-69.4164.5000110.6L76 K79 Y114 F130 M131L76-L112 HydrophobicContact CD2-CD2 4.12Å; K79-L112 HydrophobicContact CB-CD2 3.53Å; K79-L112 HydrophobicContact CD-CD2 3.99Å; K79-L112 HydrophobicContact CG-CD2 3.46Å; K79-L112 VanDerWaalsContact CG-CD2 3.46Å; L112-Y114 PolarHBondContact O-N 3.31Å; L112-F130 HydrophobicContact CD1-CB 3.69Å; L112-F130 HydrophobicContact CD1-CD1 2.98Å; L112-F130 HydrophobicContact CD1-CE1 3.86Å; L112-F130 HydrophobicContact CD1-CG 3.69Å; L112-F130 HydrophobicContact CG-CD1 4.03Å; L112-M131 WeakPolarHBondContact CB-O 3.28Å
113K44Very low53.3Low182 Ų182113.2 Ų113.279%0.79157%0.565SS**  trans-64.10-176.5-86.9-174.7-175.9-178.70109.7L111L111-K113 HydrophobicContact CB-CG 4.1Å; L111-K113 PolarHBondContact O-N 3.45Å
114Y34.6Very low50.9Low58 Ų58113.9 Ų113.923%0.22758%0.576CS.*  0126.70-75.4-80000110.1L112 R116 I132 S133 P134 Q135L112-Y114 PolarHBondContact O-N 3.31Å; Y114-R116 PolarHBondContact O-N 3.36Å; Y114-I132 VanDerWaalsContact CD2-C 3.41Å; Y114-I132 WeakPolarHBondContact CD2-O 3.43Å; Y114-I132 WeakPolarHBondContact CE2-O 2.77Å; Y114-S133 WeakPolarHBondContact CD1-OG 3.47Å; Y114-S133 VanDerWaalsContact CD2-C 3.46Å; Y114-S133 VanDerWaalsContact CD2-CB 3.48Å; Y114-S133 WeakPolarHBondContact CE1-O 3.44Å; Y114-S133 CovalentContact CE1-OG 1.52Å; Y114-S133 WeakPolarHBondContact CE1-OG 3.38Å; Y114-S133 CovalentContact CE2-CA 1.24Å; Y114-S133 CovalentContact CE2-N 1.68Å; Y114-S133 WeakPolarHBondContact CE2-O 3.13Å; Y114-S133 VanDerWaalsContact CE2-OG 3.26Å; Y114-S133 WeakPolarHBondContact CE2-OG 3.49Å; Y114-S133 CovalentContact CZ-C 1.55Å; Y114-S133 CovalentContact CZ-CA 0.59Å; Y114-S133 CovalentContact CZ-CB 1.47Å; Y114-S133 CovalentContact OH-CA 1.2Å; Y114-S133 WeakPolarHBondContact OH-CA 3.45Å; Y114-S133 WeakPolarHBondContact OH-CB 3.21Å; Y114-S133 PolarHBondContact OH-N 3.21Å; Y114-S133 PolarHBondContact OH-O 3.42Å; Y114-S133 PolarHBondContact OH-OG 3.37Å; Y114-P134 HydrophobicContact CD1-CB 3.96Å; Y114-P134 CovalentContact CD1-CD 1.82Å; Y114-P134 HydrophobicContact CD1-CG 2.83Å; Y114-P134 HydrophobicContact CD2-CG 4Å; Y114-P134 VanDerWaalsContact CE1-CA 3.45Å; Y114-P134 HydrophobicContact CE1-CB 3.87Å; Y114-P134 HydrophobicContact CE1-CG 3.22Å; Y114-P134 HydrophobicContact CE2-CG 4.32Å; Y114-P134 HydrophobicContact CG-CG 3.28Å; Y114-Q135 HydrophobicContact CE1-CB 4.43Å; Y114-Q135 VanDerWaalsContact CE1-N 3.27Å; Y114-Q135 PolarHBondContact OH-N 3.39Å
115D31Very low48.1Very low165 Ų165110.1 Ų110.188%0.88259%0.585SS**SBendtrans-280154.4-99.3-8000111.7
116R30.9Very low45.5Very low242 Ų242112.6 Ų112.691%0.91360%0.602SS**SBend000-147.3174.7172.21630.1110.2Y114Y114-R116 PolarHBondContact O-N 3.36Å
117I32.2Very low43.1Very low118 Ų118116.1 Ų116.161%0.60562%0.615SS**SBend028.80-66.7173.1000108.4F253I117-F253 HydrophobicContact CD1-CZ 4.36Å
118V30.7Very low41Very low113 Ų113110.8 Ų110.869%0.68560%0.595SS**  trans-156.40161.2177.60000108.2E120V118-E120 PolarHBondContact O-N 3.12Å
119K28.9Very low39.3Very low199 Ų199108 Ų10887%0.86558%0.577SS**  000-125.3178.7179.1175.30111.4
120E31.3Very low38.2Very low173 Ų173105.9 Ų105.981%0.80857%0.569SS**SBend000-109.6176.7179.600109.8V118V118-E120 PolarHBondContact O-N 3.12Å
121S35.2Very low37.5Very low83 Ų83108.5 Ų108.558%0.5858%0.579SS**  065.7052.40000109.5
122D34Very low37.2Very low131 Ų131105.4 Ų105.470%0.70156%0.563SS**  trans-179.475.7138.5-71.7-18000109.2S124D122-S124 PolarHBondContact O-N 3Å
123S32.7Very low37.3Very low136 Ų136105.8 Ų105.895%0.95157%0.568SS**  trans-34.145.7145.239.80000111.7
124S36.5Very low37.9Very low98 Ų9899.7 Ų99.769%0.68555%0.547SS*.  trans-135.285.1163.653.10000109.5D122D122-S124 PolarHBondContact O-N 3Å
125G29.1Very low39Very low72 Ų72102.4 Ų102.474%0.74256%0.562SS**  35.50117.800000111.9
126S30Very low40.4Very low65 Ų6595 Ų9546%0.45552%0.522SS..  0110.70108.70000109.4L128S126-L128 PolarHBondContact O-N 3.44Å
127I31.8Very low42Very low138 Ų13884 Ų8471%0.70848%0.482SS*.SBend58.80128.3-68.3163.9000109.6
128L38.1Very low43.5Very low71 Ų7182.7 Ų82.737%0.37248%0.475SS..  057.30-84.5151.9000109S126 F130S126-L128 PolarHBondContact O-N 3.44Å; L128-F130 HydrophobicContact CD2-CD2 3.72Å; L128-F130 HydrophobicContact CD2-CE2 4.08Å; L128-F130 PolarHBondContact O-N 3.04Å
129D43.4Very low45.3Very low37 Ų3781.3 Ų81.320%0.19846%0.464CS..  trans-720169.3-97-7.3000110L111 M131 R173L111-D129 HydrophobicContact CD2-CB 3.65Å; L111-D129 WeakPolarHBondContact CD2-OD2 3.5Å; D129-M131 VanDerWaalsContact C-N 3.35Å; D129-R173 IonicContact OD1-CZ 2.84Å; D129-R173 IonicContact OD1-NH1 3.29Å; D129-R173 PolarHBondContact OD1-NH1 3.44Å; D129-R173 IonicContact OD1-NH2 3.98Å; D129-R173 IonicContact OD2-NH1 3.34Å
130F48.3Very low47.7Very low12 Ų1275.4 Ų75.45%0.05344%0.436CS..  000-87.4-85.5000109.5R34 F80 F83 L112 L128 D242R34-F130 VanDerWaalsContact CZ-CE2 3.46Å; R34-F130 VanDerWaalsContact NH1-CZ 3.33Å; R34-F130 CovalentContact NH2-CB 1.59Å; F80-F130 HydrophobicContact CD1-CD1 4.09Å; F80-F130 AromaticContact CD1-CE1 2.98Å; F80-F130 HydrophobicContact CD1-CE1 2.98Å; F80-F130 HydrophobicContact CD1-CE2 4.48Å; F80-F130 AromaticContact CD1-CZ 3.25Å; F80-F130 HydrophobicContact CD1-CZ 3.25Å; F80-F130 AromaticContact CE1-CD1 3.36Å; F80-F130 HydrophobicContact CE1-CD1 3.36Å; F80-F130 AromaticContact CE1-CE1 2.69Å; F80-F130 HydrophobicContact CE1-CE1 2.69Å; F80-F130 HydrophobicContact CE1-CE2 4.26Å; F80-F130 HydrophobicContact CE1-CG 4.35Å; F80-F130 AromaticContact CE1-CZ 3.25Å; F80-F130 HydrophobicContact CE1-CZ 3.25Å; F80-F130 HydrophobicContact CG-CE1 4.37Å; F80-F130 HydrophobicContact CZ-CD1 4.37Å; F80-F130 AromaticContact CZ-CE1 3.98Å; F80-F130 HydrophobicContact CZ-CE1 3.98Å; F83-F130 HydrophobicContact CD1-CZ 4.43Å; F83-F130 HydrophobicContact CG-CZ 4.37Å; L112-F130 HydrophobicContact CD1-CB 3.69Å; L112-F130 HydrophobicContact CD1-CD1 2.98Å; L112-F130 HydrophobicContact CD1-CE1 3.86Å; L112-F130 HydrophobicContact CD1-CG 3.69Å; L112-F130 HydrophobicContact CG-CD1 4.03Å; L128-F130 HydrophobicContact CD2-CD2 3.72Å; L128-F130 HydrophobicContact CD2-CE2 4.08Å; L128-F130 PolarHBondContact O-N 3.04Å; F130-D242 VanDerWaalsContact O-OD2 3.05Å
131M51.1Low50.1Low85 Ų8568 Ų6842%0.41940%0.401SS..  099.90-91.4173.682.100110.3L112 D129 R173 T246L112-M131 WeakPolarHBondContact CB-O 3.28Å; D129-M131 VanDerWaalsContact C-N 3.35Å; M131-R173 PolarHBondContact SD-NH2 3.46Å; M131-T246 HydrophobicContact CG-CG2 4.26Å
132I55.1Low52.4Low8 Ų868.6 Ų68.64%0.04140%0.403CS..  trans-40.6114.8175.6-60170.5000109.9I38 Y114 C136 F137 F243 T246I38-I132 HydrophobicContact CD1-CD1 4.27Å; I38-I132 HydrophobicContact CD1-CG1 4.19Å; I38-I132 HydrophobicContact CG1-CD1 4Å; I38-I132 HydrophobicContact CG1-CG1 4.46Å; I38-I132 HydrophobicContact CG2-CG2 4.15Å; Y114-I132 VanDerWaalsContact CD2-C 3.41Å; Y114-I132 WeakPolarHBondContact CD2-O 3.43Å; Y114-I132 WeakPolarHBondContact CE2-O 2.77Å; I132-C136 HydrophobicContact CG2-CB 3.48Å; I132-C136 VanDerWaalsContact CG2-CB 3.48Å; I132-F137 HydrophobicContact CB-CE2 4.35Å; I132-F137 HydrophobicContact CB-CZ 4.38Å; I132-F137 HydrophobicContact CG2-CE2 4.04Å; I132-F137 HydrophobicContact CG2-CZ 4.14Å; I132-F243 HydrophobicContact CD1-CB 3.61Å; I132-F243 HydrophobicContact CD1-CD2 3.37Å; I132-F243 HydrophobicContact CD1-CE2 4.46Å; I132-F243 HydrophobicContact CD1-CG 3.96Å; I132-T246 HydrophobicContact CB-CG2 4.35Å
133S53.7Low54.9Low35 Ų3565.7 Ų65.725%0.24539%0.39CS..  trans-49.50173.3-1790000111.7Y114 Q135 C136Y114-S133 WeakPolarHBondContact CD1-OG 3.47Å; Y114-S133 VanDerWaalsContact CD2-C 3.46Å; Y114-S133 VanDerWaalsContact CD2-CB 3.48Å; Y114-S133 WeakPolarHBondContact CE1-O 3.44Å; Y114-S133 CovalentContact CE1-OG 1.52Å; Y114-S133 WeakPolarHBondContact CE1-OG 3.38Å; Y114-S133 CovalentContact CE2-CA 1.24Å; Y114-S133 CovalentContact CE2-N 1.68Å; Y114-S133 WeakPolarHBondContact CE2-O 3.13Å; Y114-S133 VanDerWaalsContact CE2-OG 3.26Å; Y114-S133 WeakPolarHBondContact CE2-OG 3.49Å; Y114-S133 CovalentContact CZ-C 1.55Å; Y114-S133 CovalentContact CZ-CA 0.59Å; Y114-S133 CovalentContact CZ-CB 1.47Å; Y114-S133 CovalentContact OH-CA 1.2Å; Y114-S133 WeakPolarHBondContact OH-CA 3.45Å; Y114-S133 WeakPolarHBondContact OH-CB 3.21Å; Y114-S133 PolarHBondContact OH-N 3.21Å; Y114-S133 PolarHBondContact OH-O 3.42Å; Y114-S133 PolarHBondContact OH-OG 3.37Å; S133-Q135 PolarHBondContact O-N 3.22Å; S133-Q135 PolarHBondContact OG-N 3.22Å; S133-C136 WeakPolarHBondContact O-CB 3.16Å; S133-C136 PolarHBondContact O-N 3.08Å
134P56.8Low57.5Low54 Ų5461.3 Ų61.335%0.35135%0.354SS..Hα-helix0-21.10-13.215.5000111.6Y114 C136 F137 L138Y114-P134 HydrophobicContact CD1-CB 3.96Å; Y114-P134 CovalentContact CD1-CD 1.82Å; Y114-P134 HydrophobicContact CD1-CG 2.83Å; Y114-P134 HydrophobicContact CD2-CG 4Å; Y114-P134 VanDerWaalsContact CE1-CA 3.45Å; Y114-P134 HydrophobicContact CE1-CB 3.87Å; Y114-P134 HydrophobicContact CE1-CG 3.22Å; Y114-P134 HydrophobicContact CE2-CG 4.32Å; Y114-P134 HydrophobicContact CG-CG 3.28Å; P134-C136 PolarHBondContact O-N 3.4Å; P134-F137 WeakPolarHBondContact O-CB 3.38Å; P134-F137 PolarHBondContact O-N 2.92Å; P134-L138 PolarHBondContact O-N 3.35Å
135Q58.7Low60.1Low116 Ų11659.8 Ų59.854%0.54234%0.337SS..Hα-helixtrans-68.5-29.8-176.9-166.975.7-0.400110.5Y114 S133 F137 L138 D139Y114-Q135 HydrophobicContact CE1-CB 4.43Å; Y114-Q135 VanDerWaalsContact CE1-N 3.27Å; Y114-Q135 PolarHBondContact OH-N 3.39Å; S133-Q135 PolarHBondContact O-N 3.22Å; S133-Q135 PolarHBondContact OG-N 3.22Å; Q135-F137 PolarHBondContact O-N 3.38Å; Q135-F137 VanDerWaalsContact O-N 3.08Å; Q135-L138 PolarHBondContact O-N 2.96Å; Q135-D139 PolarHBondContact O-N 3.12Å
136C59.9Low62.9Low8 Ų858.8 Ų58.85%0.05432%0.315CS..Hα-helixtrans-65.9-24.9-178.5-66.90000110.7I38 I132 S133 P134 L138 D139 R140I38-C136 HydrophobicContact CG2-CB 4.31Å; I132-C136 HydrophobicContact CG2-CB 3.48Å; I132-C136 VanDerWaalsContact CG2-CB 3.48Å; S133-C136 WeakPolarHBondContact O-CB 3.16Å; S133-C136 PolarHBondContact O-N 3.08Å; P134-C136 PolarHBondContact O-N 3.4Å; C136-L138 VanDerWaalsContact C-N 3.25Å; C136-L138 PolarHBondContact O-N 3.38Å; C136-D139 PolarHBondContact O-N 3.48Å; C136-R140 PolarHBondContact O-N 3.25Å
137F63.7Low65.8Low13 Ų1355.9 Ų55.96%0.05729%0.294CS..Hα-helixtrans-82.2-32.4-178-69.9-68.2000110.7I132 P134 Q135 D139 R140 Y141 F243 T246 F247I132-F137 HydrophobicContact CB-CE2 4.35Å; I132-F137 HydrophobicContact CB-CZ 4.38Å; I132-F137 HydrophobicContact CG2-CE2 4.04Å; I132-F137 HydrophobicContact CG2-CZ 4.14Å; P134-F137 WeakPolarHBondContact O-CB 3.38Å; P134-F137 PolarHBondContact O-N 2.92Å; Q135-F137 PolarHBondContact O-N 3.38Å; Q135-F137 VanDerWaalsContact O-N 3.08Å; F137-D139 PolarHBondContact O-N 3.23Å; F137-R140 CarbonylContact O-C 3.44Å; F137-R140 PolarHBondContact O-N 3.17Å; F137-Y141 WeakPolarHBondContact O-CA 3.34Å; F137-Y141 PolarHBondContact O-N 2.78Å; F137-F243 AromaticContact CD1-CE2 3.81Å; F137-F243 HydrophobicContact CD1-CE2 3.81Å; F137-F243 HydrophobicContact CD1-CZ 4.06Å; F137-F243 AromaticContact CE1-CD2 3.8Å; F137-F243 HydrophobicContact CE1-CD2 3.8Å; F137-F243 AromaticContact CE1-CE2 3.22Å; F137-F243 HydrophobicContact CE1-CE2 3.22Å; F137-F243 AromaticContact CE1-CZ 3.65Å; F137-F243 HydrophobicContact CE1-CZ 3.65Å; F137-F243 HydrophobicContact CZ-CD2 4.25Å; F137-F243 HydrophobicContact CZ-CE2 4.07Å; F137-T246 WeakPolarHBondContact CZ-OG1 3.11Å; F137-F247 HydrophobicContact CD1-CB 4.24Å; F137-F247 HydrophobicContact CD1-CD2 4.03Å; F137-F247 HydrophobicContact CE1-CB 3.47Å; F137-F247 VanDerWaalsContact CE1-CB 3.47Å; F137-F247 HydrophobicContact CE1-CD2 4.13Å; F137-F247 HydrophobicContact CE1-CG 4.27Å; F137-F247 HydrophobicContact CZ-CB 3.93Å; F137-F247 VanDerWaalsContact CZ-N 3.34Å
138L64.1Low68.6Low89 Ų8949.3 Ų49.347%0.46626%0.261SS..Hα-helixtrans-700179.9-71.7172.5000110.8P134 Q135 C136 R140 Y141P134-L138 PolarHBondContact O-N 3.35Å; Q135-L138 PolarHBondContact O-N 2.96Å; C136-L138 VanDerWaalsContact C-N 3.25Å; C136-L138 PolarHBondContact O-N 3.38Å; L138-R140 VanDerWaalsContact C-N 3.27Å; L138-Y141 CarbonylContact O-C 3.47Å
139D69.9Low71.1Confident84 Ų8453.3 Ų53.345%0.44927%0.271SS..Hα-helix0-31.70-71.5-18.6000111K39 Q135 C136 F137K39-D139 IonicContact NZ-OD2 3.59Å; K39-D139 PolarHBondContact NZ-OD2 3.36Å; Q135-D139 PolarHBondContact O-N 3.12Å; C136-D139 PolarHBondContact O-N 3.48Å; F137-D139 PolarHBondContact O-N 3.23Å
140R77.5Confident73.3Confident76 Ų7654.5 Ų54.529%0.28728%0.277SS..Hα-helixtrans-87.5-35.4-178.2-171.2170.4179.4-178.6-1.2110.9C136 F137 L138 P142C136-R140 PolarHBondContact O-N 3.25Å; F137-R140 CarbonylContact O-C 3.44Å; F137-R140 PolarHBondContact O-N 3.17Å; L138-R140 VanDerWaalsContact C-N 3.27Å; R140-P142 VanDerWaalsContact O-CD 3.27Å; R140-P142 WeakPolarHBondContact O-CD 2.89Å
141Y82.7Confident75.3Confident17 Ų1754 Ų547%0.06728%0.275CS..  trans-125.696.3-178.2-56.2-73.5000109.3F137 L138 T143 D146 A147 D150 F243 F247F137-Y141 WeakPolarHBondContact O-CA 3.34Å; F137-Y141 PolarHBondContact O-N 2.78Å; L138-Y141 CarbonylContact O-C 3.47Å; Y141-T143 PolarHBondContact O-N 3.44Å; Y141-D146 HydrophobicContact CD1-CB 4.27Å; Y141-A147 HydrophobicContact CG-CB 4.3Å; Y141-D150 HydrophobicContact CE1-CB 3.67Å; Y141-D150 WeakPolarHBondContact CE1-OD2 3.48Å; Y141-D150 PolarHBondContact OH-OD2 3.28Å; Y141-F243 HydrophobicContact CE2-CZ 4.33Å; Y141-F247 HydrophobicContact CD2-CD2 4.37Å; Y141-F247 HydrophobicContact CD2-CE2 4Å; Y141-F247 HydrophobicContact CE2-CD2 4.07Å; Y141-F247 AromaticContact CE2-CE2 3.82Å; Y141-F247 HydrophobicContact CE2-CE2 3.82Å
142P82.9Confident77.3Confident95 Ų9552.8 Ų52.862%0.61727%0.268SS*.SBendtrans-67.1-34.5-176.4-23.128000111.7R140R140-P142 VanDerWaalsContact O-CD 3.27Å; R140-P142 WeakPolarHBondContact O-CD 2.89Å
143T86.7Confident79.1Confident71 Ų7157 Ų5744%0.43629%0.291SS..SBendtrans-116.3156.8179.958.50000109.7Y141 M145 D146 A147Y141-T143 PolarHBondContact O-N 3.44Å; T143-M145 PolarHBondContact O-N 3.44Å; T143-D146 WeakPolarHBondContact O-CB 3.38Å; T143-D146 PolarHBondContact O-N 2.95Å; T143-D146 WeakPolarHBondContact OG1-CB 3.27Å; T143-D146 PolarHBondContact OG1-N 3.38Å; T143-D146 PolarHBondContact OG1-OD1 3.3Å; T143-D146 PolarHBondContact OG1-OD2 3.44Å; T143-A147 PolarHBondContact O-N 2.83Å
144F88.1Confident81Confident43 Ų4355.4 Ų55.419%0.18928%0.28CS..Hα-helixtrans-67.5-31.1-178.6-178.4-113.5000110.3D146 A147 I148 M212 V251 R254 L255F144-D146 PolarHBondContact O-N 3.01Å; F144-A147 WeakPolarHBondContact O-CA 3.31Å; F144-A147 WeakPolarHBondContact O-CB 3.43Å; F144-A147 PolarHBondContact O-N 3.19Å; F144-I148 HydrophobicContact CD1-CD1 3.72Å; F144-I148 HydrophobicContact CD1-CG1 4.17Å; F144-I148 HydrophobicContact CE1-CD1 3.33Å; F144-I148 HydrophobicContact CE1-CG1 3.82Å; F144-I148 HydrophobicContact CZ-CD1 4.06Å; F144-I148 HydrophobicContact CZ-CG1 4.1Å; F144-I148 PolarHBondContact O-N 3.02Å; F144-M212 HydrophobicContact CD1-CE 4.4Å; F144-M212 HydrophobicContact CD1-SD 3.73Å; F144-M212 HydrophobicContact CE1-SD 3.35Å; F144-M212 WeakPolarHBondContact CE1-SD 3.14Å; F144-V251 HydrophobicContact CE2-CG1 4.41Å; F144-V251 HydrophobicContact CZ-CG1 4.36Å; F144-R254 HydrophobicContact CD2-CB 4.41Å; F144-R254 HydrophobicContact CD2-CG 3.98Å; F144-R254 HydrophobicContact CE1-CG 4.27Å; F144-R254 HydrophobicContact CE2-CB 3.7Å; F144-R254 HydrophobicContact CE2-CG 3.6Å; F144-R254 HydrophobicContact CG-CG 4.47Å; F144-R254 HydrophobicContact CZ-CB 4.04Å; F144-R254 HydrophobicContact CZ-CG 3.77Å; F144-L255 HydrophobicContact CE1-CD2 4.11Å; F144-L255 HydrophobicContact CZ-CD2 3.84Å; F144-L255 HydrophobicContact CZ-CG 4.11Å
145M89.5Confident82.8Confident66 Ų6652.9 Ų52.933%0.32526%0.263SS..Hα-helixtrans-65.2-35.9179.4-73.3-57.3-69.200110.7T143 A147 I148 R149 M212 Q214T143-M145 PolarHBondContact O-N 3.44Å; M145-A147 PolarHBondContact O-N 3.41Å; M145-I148 PolarHBondContact O-N 3.37Å; M145-I148 VanDerWaalsContact O-N 3.1Å; M145-I148 HydrophobicContact SD-CD1 4.18Å; M145-R149 WeakPolarHBondContact O-CG 3.48Å; M145-R149 PolarHBondContact O-N 3.29Å; M145-M212 HydrophobicContact SD-CB 4.37Å; M145-Q214 HydrophobicContact CE-CB 4.36Å; M145-Q214 PolarHBondContact O-OE1 3.49Å
146D89.2Confident84.4Confident52 Ų5249.1 Ų49.128%0.27825%0.25SC..Hα-helixtrans-64.5-30.7177.2-71.9-20.8000111.1Y141 T143 F144 I148 R149 D150Y141-D146 HydrophobicContact CD1-CB 4.27Å; T143-D146 WeakPolarHBondContact O-CB 3.38Å; T143-D146 PolarHBondContact O-N 2.95Å; T143-D146 WeakPolarHBondContact OG1-CB 3.27Å; T143-D146 PolarHBondContact OG1-N 3.38Å; T143-D146 PolarHBondContact OG1-OD1 3.3Å; T143-D146 PolarHBondContact OG1-OD2 3.44Å; F144-D146 PolarHBondContact O-N 3.01Å; D146-I148 VanDerWaalsContact C-N 3.29Å; D146-I148 PolarHBondContact O-N 3.3Å; D146-R149 PolarHBondContact O-N 2.8Å; D146-D150 PolarHBondContact O-N 2.82Å
147A90.1Very high86Confident4 Ų449.7 Ų49.73%0.03325%0.252CS..Hα-helixtrans-70.7-35.7177.700000111.2Y141 T143 F144 M145 R149 D150 L151 F247Y141-A147 HydrophobicContact CG-CB 4.3Å; T143-A147 PolarHBondContact O-N 2.83Å; F144-A147 WeakPolarHBondContact O-CA 3.31Å; F144-A147 WeakPolarHBondContact O-CB 3.43Å; F144-A147 PolarHBondContact O-N 3.19Å; M145-A147 PolarHBondContact O-N 3.41Å; A147-R149 PolarHBondContact O-N 3.24Å; A147-D150 PolarHBondContact O-N 3.29Å; A147-D150 VanDerWaalsContact O-N 3.14Å; A147-L151 PolarHBondContact O-N 2.8Å; A147-L151 VanDerWaalsContact O-N 3.08Å; A147-F247 HydrophobicContact CB-CE2 3.67Å; A147-F247 HydrophobicContact CB-CZ 3.92Å; A147-F247 WeakPolarHBondContact O-CZ 3.45Å
148I91.3Very high87.3Confident0 Ų049.1 Ų49.10%025%0.249CC..Hα-helixtrans-71.5-29.9-177.8-70179.8000109.3F144 M145 D146 D150 L151 I211 M212 Q214F144-I148 HydrophobicContact CD1-CD1 3.72Å; F144-I148 HydrophobicContact CD1-CG1 4.17Å; F144-I148 HydrophobicContact CE1-CD1 3.33Å; F144-I148 HydrophobicContact CE1-CG1 3.82Å; F144-I148 HydrophobicContact CZ-CD1 4.06Å; F144-I148 HydrophobicContact CZ-CG1 4.1Å; F144-I148 PolarHBondContact O-N 3.02Å; M145-I148 PolarHBondContact O-N 3.37Å; M145-I148 VanDerWaalsContact O-N 3.1Å; M145-I148 HydrophobicContact SD-CD1 4.18Å; D146-I148 VanDerWaalsContact C-N 3.29Å; D146-I148 PolarHBondContact O-N 3.3Å; I148-D150 PolarHBondContact O-N 3Å; I148-L151 WeakPolarHBondContact O-CB 3.32Å; I148-L151 PolarHBondContact O-N 3.28Å; I148-L151 VanDerWaalsContact O-N 3.12Å; I148-I211 HydrophobicContact CD1-CG2 4.27Å; I148-M212 HydrophobicContact CD1-CB 4.2Å; I148-M212 HydrophobicContact CD1-CG 4.31Å; I148-M212 HydrophobicContact CD1-SD 3.72Å; I148-Q214 HydrophobicContact CG2-CB 3.89Å; I148-Q214 HydrophobicContact CG2-CG 4.09Å
149R89.9Confident88.7Confident154 Ų15444.9 Ų44.958%0.58123%0.227SC*.Hα-helixtrans-67.9-28.2179.5-74.9-173.7-168.6168.61111.2M145 D146 A147 L151 Q214M145-R149 WeakPolarHBondContact O-CG 3.48Å; M145-R149 PolarHBondContact O-N 3.29Å; D146-R149 PolarHBondContact O-N 2.8Å; A147-R149 PolarHBondContact O-N 3.24Å; R149-L151 VanDerWaalsContact C-N 3.33Å; R149-Q214 VanDerWaalsContact CA-CD 3.43Å; R149-Q214 HydrophobicContact CG-CG 4.42Å
150D90Very high89.7Confident63 Ų6343.7 Ų43.734%0.33722%0.221SC..THydrogen-bonded Turntrans-98.12.5-179.2-85.10.2000110.7Y141 D146 A147 I148 E152 D153Y141-D150 HydrophobicContact CE1-CB 3.67Å; Y141-D150 WeakPolarHBondContact CE1-OD2 3.48Å; Y141-D150 PolarHBondContact OH-OD2 3.28Å; D146-D150 PolarHBondContact O-N 2.82Å; A147-D150 PolarHBondContact O-N 3.29Å; A147-D150 VanDerWaalsContact O-N 3.14Å; I148-D150 PolarHBondContact O-N 3Å; D150-E152 PolarHBondContact O-N 3.4Å; D150-D153 PolarHBondContact O-N 3.21Å
151L91.3Very high90.3Very high0 Ų040.2 Ų40.20%021%0.208CC..Hα-helixtrans-65.8-25.3-175178.862000110.1A147 I148 R149 D153 A154 L155 F185 I211 T216 F247 V251A147-L151 PolarHBondContact O-N 2.8Å; A147-L151 VanDerWaalsContact O-N 3.08Å; I148-L151 WeakPolarHBondContact O-CB 3.32Å; I148-L151 PolarHBondContact O-N 3.28Å; I148-L151 VanDerWaalsContact O-N 3.12Å; R149-L151 VanDerWaalsContact C-N 3.33Å; L151-D153 VanDerWaalsContact C-N 3.34Å; L151-D153 PolarHBondContact O-N 3.4Å; L151-A154 WeakPolarHBondContact O-CB 3.36Å; L151-A154 PolarHBondContact O-N 2.88Å; L151-L155 HydrophobicContact CD1-CD1 4.48Å; L151-L155 HydrophobicContact CD1-CG 4.16Å; L151-L155 HydrophobicContact CD2-CD1 4.11Å; L151-L155 HydrophobicContact CG-CD1 3.73Å; L151-L155 HydrophobicContact CG-CG 3.94Å; L151-L155 WeakPolarHBondContact O-CG 3.43Å; L151-L155 PolarHBondContact O-N 3.24Å; L151-F185 HydrophobicContact CD2-CE2 3.81Å; L151-F185 HydrophobicContact CD2-CZ 4.2Å; L151-I211 HydrophobicContact CD2-CD1 4.15Å; L151-T216 HydrophobicContact CD2-CG2 4.49Å; L151-F247 HydrophobicContact CD1-CE1 3.89Å; L151-V251 HydrophobicContact CD1-CB 4.49Å; L151-V251 HydrophobicContact CD1-CG1 4.15Å; L151-V251 HydrophobicContact CD1-CG2 4.47Å; L151-V251 HydrophobicContact CD2-CG1 4.27Å
152E93.2Very high90.5Very high60 Ų6040.3 Ų40.328%0.2821%0.212SC..Hα-helixtrans-62.8-43.3-175.4-71.7-176.7178.300110.6D150 A154 L155 C156 T216 T217D150-E152 PolarHBondContact O-N 3.4Å; E152-A154 PolarHBondContact O-N 3.15Å; E152-L155 PolarHBondContact O-N 3.11Å; E152-C156 PolarHBondContact O-N 3.13Å; E152-C156 PolarHBondContact O-SG 3.49Å; E152-C156 VanDerWaalsContact O-SG 3.33Å; E152-T216 HydrophobicContact CB-CG2 4.28Å; E152-T216 HydrophobicContact CG-CG2 3.25Å; E152-T216 WeakPolarHBondContact OE1-CA 3.15Å; E152-T217 WeakPolarHBondContact CB-O 3.48Å; E152-T217 VanDerWaalsContact CG-O 3.27Å; E152-T217 WeakPolarHBondContact CG-O 3.38Å; E152-T217 PolarHBondContact OE1-N 3.01Å
153D92.2Very high90.7Very high98 Ų9837.9 Ų37.952%0.52419%0.192SC..Hα-helixtrans-66.6-37-178.3-73.7-11000111.2D150 L151 L155 C156 L157D150-D153 PolarHBondContact O-N 3.21Å; L151-D153 VanDerWaalsContact C-N 3.34Å; L151-D153 PolarHBondContact O-N 3.4Å; D153-L155 PolarHBondContact O-N 2.91Å; D153-C156 PolarHBondContact O-N 3.44Å; D153-L157 PolarHBondContact O-N 2.87Å
154A92.6Very high90.5Very high0 Ų036.3 Ų36.30%018%0.18CC..Hα-helixtrans-68.3-36.6-179.500000111.3L151 E152 C156 L157 C158 Y244 F247 M248L151-A154 WeakPolarHBondContact O-CB 3.36Å; L151-A154 PolarHBondContact O-N 2.88Å; E152-A154 PolarHBondContact O-N 3.15Å; A154-C156 VanDerWaalsContact C-N 3.28Å; A154-C156 PolarHBondContact O-N 3.02Å; A154-L157 PolarHBondContact O-N 3.31Å; A154-C158 WeakPolarHBondContact O-CB 3.38Å; A154-C158 PolarHBondContact O-N 3.26Å; A154-C158 PolarHBondContact O-SG 3.49Å; A154-Y244 HydrophobicContact CB-CD1 3.57Å; A154-Y244 HydrophobicContact CB-CD2 4.49Å; A154-Y244 HydrophobicContact CB-CE1 4.11Å; A154-Y244 HydrophobicContact CB-CG 3.81Å; A154-F247 HydrophobicContact CB-CD1 3.72Å; A154-F247 HydrophobicContact CB-CE1 3.93Å; A154-M248 HydrophobicContact CB-CG 4.05Å
155L94.3Very high90Very high1 Ų141 Ų411%0.00520%0.2CC..Hα-helixtrans-69.8-37.4-177.6-76.4170.3000110.3L151 E152 D153 L157 C158 F159 F185 T216 W218 M248L151-L155 HydrophobicContact CD1-CD1 4.48Å; L151-L155 HydrophobicContact CD1-CG 4.16Å; L151-L155 HydrophobicContact CD2-CD1 4.11Å; L151-L155 HydrophobicContact CG-CD1 3.73Å; L151-L155 HydrophobicContact CG-CG 3.94Å; L151-L155 WeakPolarHBondContact O-CG 3.43Å; L151-L155 PolarHBondContact O-N 3.24Å; E152-L155 PolarHBondContact O-N 3.11Å; D153-L155 PolarHBondContact O-N 2.91Å; L155-L157 VanDerWaalsContact C-N 3.3Å; L155-L157 PolarHBondContact O-N 2.88Å; L155-C158 PolarHBondContact O-N 3.25Å; L155-F159 HydrophobicContact CB-CD2 4.36Å; L155-F159 HydrophobicContact CB-CE2 4.37Å; L155-F159 HydrophobicContact CD2-CE2 4.14Å; L155-F159 WeakPolarHBondContact O-CB 3.35Å; L155-F159 WeakPolarHBondContact O-CD2 3.18Å; L155-F159 PolarHBondContact O-N 3.44Å; L155-F185 HydrophobicContact CD1-CD1 4.4Å; L155-F185 HydrophobicContact CD1-CE1 3.67Å; L155-F185 HydrophobicContact CD1-CE2 4.31Å; L155-F185 HydrophobicContact CD1-CZ 3.6Å; L155-F185 HydrophobicContact CD2-CB 4.46Å; L155-F185 HydrophobicContact CD2-CD1 3.65Å; L155-F185 HydrophobicContact CD2-CD2 4.22Å; L155-F185 HydrophobicContact CD2-CE1 3.82Å; L155-F185 HydrophobicContact CD2-CE2 4.38Å; L155-F185 HydrophobicContact CD2-CG 3.87Å; L155-F185 HydrophobicContact CD2-CZ 4.18Å; L155-F185 HydrophobicContact CG-CE1 4.41Å; L155-T216 HydrophobicContact CD1-CG2 3.77Å; L155-W218 HydrophobicContact CB-CB 3.76Å; L155-W218 HydrophobicContact CB-CG 4.12Å; L155-W218 HydrophobicContact CD1-CB 4.21Å; L155-W218 HydrophobicContact CD1-CD2 3.94Å; L155-W218 HydrophobicContact CD1-CE3 3.78Å; L155-W218 HydrophobicContact CD1-CG 4.16Å; L155-W218 HydrophobicContact CD1-CZ3 4.44Å; L155-M248 HydrophobicContact CD2-SD 3.98Å
156C93.8Very high89.3Confident38 Ų3846.6 Ų46.626%0.25722%0.223SC..Hα-helixtrans-66-42.5-178.6-71.50000110.7E152 D153 A154 C158 F159 L160 I219E152-C156 PolarHBondContact O-N 3.13Å; E152-C156 PolarHBondContact O-SG 3.49Å; E152-C156 VanDerWaalsContact O-SG 3.33Å; D153-C156 PolarHBondContact O-N 3.44Å; A154-C156 VanDerWaalsContact C-N 3.28Å; A154-C156 PolarHBondContact O-N 3.02Å; C156-C158 VanDerWaalsContact C-N 3.32Å; C156-F159 PolarHBondContact O-N 2.87Å; C156-L160 WeakPolarHBondContact O-CB 2.86Å; C156-L160 PolarHBondContact O-N 2.95Å; C156-L160 VanDerWaalsContact O-N 3.09Å; C156-I219 HydrophobicContact CB-CG2 4.14Å
157L92.3Very high88.5Confident19 Ų1946.7 Ų46.710%0.09922%0.221CC..Hα-helixtrans-70.2-39.5-178-172.866.4000111.1D153 A154 L155 F159 L160 F161 M237 F240 A241 Y244D153-L157 PolarHBondContact O-N 2.87Å; A154-L157 PolarHBondContact O-N 3.31Å; L155-L157 VanDerWaalsContact C-N 3.3Å; L155-L157 PolarHBondContact O-N 2.88Å; L157-F159 PolarHBondContact O-N 2.79Å; L157-L160 WeakPolarHBondContact O-CB 3.24Å; L157-L160 PolarHBondContact O-N 2.85Å; L157-F161 HydrophobicContact CD1-CD2 3.69Å; L157-F161 HydrophobicContact CD1-CE2 3.22Å; L157-F161 HydrophobicContact CD1-CZ 4.41Å; L157-F161 HydrophobicContact CD2-CD2 4.49Å; L157-F161 HydrophobicContact CD2-CE2 4.06Å; L157-F161 HydrophobicContact CG-CD2 3.59Å; L157-F161 HydrophobicContact CG-CE2 3.46Å; L157-F161 VanDerWaalsContact CG-CE2 3.46Å; L157-F161 WeakPolarHBondContact O-CD2 3.43Å; L157-F161 PolarHBondContact O-N 2.71Å; L157-M237 HydrophobicContact CD1-CE 2.95Å; L157-M237 HydrophobicContact CD1-SD 4.48Å; L157-M237 HydrophobicContact CG-CE 4.35Å; L157-F240 HydrophobicContact CD2-CB 3.7Å; L157-A241 HydrophobicContact CD2-CB 4.28Å; L157-Y244 HydrophobicContact CB-CD2 3.95Å; L157-Y244 HydrophobicContact CB-CE2 4.27Å; L157-Y244 HydrophobicContact CD2-CD2 3.08Å; L157-Y244 HydrophobicContact CD2-CE2 3.44Å; L157-Y244 VanDerWaalsContact CD2-CE2 3.44Å; L157-Y244 HydrophobicContact CD2-CG 4.31Å; L157-Y244 HydrophobicContact CG-CD2 4.13Å
158C92.6Very high87.2Confident1 Ų152.9 Ų52.91%0.00726%0.264CS..Hα-helixtrans-66.7-35.9-178.4-73.70000110.6A154 L155 C156 L160 F161 A162 C178 T182 M248A154-C158 WeakPolarHBondContact O-CB 3.38Å; A154-C158 PolarHBondContact O-N 3.26Å; A154-C158 PolarHBondContact O-SG 3.49Å; L155-C158 PolarHBondContact O-N 3.25Å; C156-C158 VanDerWaalsContact C-N 3.32Å; C158-L160 PolarHBondContact O-N 3.39Å; C158-F161 PolarHBondContact O-N 3.31Å; C158-A162 WeakPolarHBondContact O-CB 3.4Å; C158-A162 PolarHBondContact O-N 2.89Å; C158-C178 HydrophobicContact CB-CB 4.42Å; C158-T182 HydrophobicContact CB-CG2 3.74Å; C158-M248 HydrophobicContact CB-CE 3.05Å; C158-M248 HydrophobicContact CB-SD 3.69Å; C158-M248 CovalentContact SG-CE 2.23Å; C158-M248 WeakPolarHBondContact SG-CE 3.21Å; C158-M248 PolarHBondContact SG-SD 3.22Å
159F93Very high86.4Confident0 Ų062.6 Ų62.60%030%0.301CS..Hα-helixtrans-71.3-30.5179.4-87.5-77.3000110.1L155 C156 L157 A162 K163 T182 M186 W218 T220L155-F159 HydrophobicContact CB-CD2 4.36Å; L155-F159 HydrophobicContact CB-CE2 4.37Å; L155-F159 HydrophobicContact CD2-CE2 4.14Å; L155-F159 WeakPolarHBondContact O-CB 3.35Å; L155-F159 WeakPolarHBondContact O-CD2 3.18Å; L155-F159 PolarHBondContact O-N 3.44Å; C156-F159 PolarHBondContact O-N 2.87Å; L157-F159 PolarHBondContact O-N 2.79Å; F159-A162 PolarHBondContact O-N 3.32Å; F159-K163 WeakPolarHBondContact O-CG 2.98Å; F159-K163 PolarHBondContact O-N 3.29Å; F159-T182 HydrophobicContact CD1-CG2 4.15Å; F159-T182 HydrophobicContact CD2-CG2 4.26Å; F159-T182 HydrophobicContact CE1-CG2 4.24Å; F159-T182 HydrophobicContact CE2-CG2 4.33Å; F159-T182 HydrophobicContact CG-CG2 4.16Å; F159-T182 HydrophobicContact CZ-CG2 4.33Å; F159-M186 HydrophobicContact CD1-CE 3.82Å; F159-M186 HydrophobicContact CE1-CE 2.63Å; F159-M186 HydrophobicContact CE1-SD 4.21Å; F159-M186 HydrophobicContact CZ-CE 3.13Å; F159-M186 HydrophobicContact CZ-CG 4.18Å; F159-M186 HydrophobicContact CZ-SD 4.47Å; F159-W218 AromaticContact CD2-CD1 3.77Å; F159-W218 AromaticContact CE2-CD1 3.43Å; F159-W218 VanDerWaalsContact CE2-CD1 3.43Å; F159-W218 HydrophobicContact CE2-CG 4.34Å; F159-W218 AromaticContact CE2-NE1 3.5Å; F159-W218 AromaticContact CZ-NE1 3.75Å; F159-T220 HydrophobicContact CD1-CG2 3.78Å; F159-T220 HydrophobicContact CE1-CG2 4.27Å; F159-T220 HydrophobicContact CG-CG2 4.43Å
160L90.5Very high85.9Confident60 Ų6055.9 Ų55.931%0.31428%0.276SS..Hα-helixtrans-69.1-45.5177.817667.7000111.2C156 L157 C158 A162 K163 L164 I226C156-L160 WeakPolarHBondContact O-CB 2.86Å; C156-L160 PolarHBondContact O-N 2.95Å; C156-L160 VanDerWaalsContact O-N 3.09Å; L157-L160 WeakPolarHBondContact O-CB 3.24Å; L157-L160 PolarHBondContact O-N 2.85Å; C158-L160 PolarHBondContact O-N 3.39Å; L160-A162 PolarHBondContact O-N 3.33Å; L160-K163 PolarHBondContact O-N 2.76Å; L160-K163 VanDerWaalsContact O-N 3.08Å; L160-L164 HydrophobicContact CG-CD1 4.36Å; L160-L164 HydrophobicContact CG-CG 4.48Å; L160-L164 WeakPolarHBondContact O-CG 2.85Å; L160-L164 PolarHBondContact O-N 3.27Å; L160-I226 HydrophobicContact CD1-CD1 3.58Å
161F89.2Confident85.3Confident2 Ų254.1 Ų54.11%0.00927%0.269CS..Hα-helixtrans-70.9-21.6-176.8-88.6-87.5000110.6L157 C158 K163 L164 I170 I174 P175 C178 M237 A241L157-F161 HydrophobicContact CD1-CD2 3.69Å; L157-F161 HydrophobicContact CD1-CE2 3.22Å; L157-F161 HydrophobicContact CD1-CZ 4.41Å; L157-F161 HydrophobicContact CD2-CD2 4.49Å; L157-F161 HydrophobicContact CD2-CE2 4.06Å; L157-F161 HydrophobicContact CG-CD2 3.59Å; L157-F161 HydrophobicContact CG-CE2 3.46Å; L157-F161 VanDerWaalsContact CG-CE2 3.46Å; L157-F161 WeakPolarHBondContact O-CD2 3.43Å; L157-F161 PolarHBondContact O-N 2.71Å; C158-F161 PolarHBondContact O-N 3.31Å; F161-K163 PolarHBondContact O-N 3.4Å; F161-L164 HydrophobicContact CB-CD1 4.48Å; F161-L164 HydrophobicContact CD1-CD1 3.75Å; F161-L164 HydrophobicContact CE1-CD1 4.12Å; F161-L164 HydrophobicContact CG-CD1 4.05Å; F161-L164 PolarHBondContact O-N 2.95Å; F161-I170 HydrophobicContact CE1-CD1 4.35Å; F161-I174 HydrophobicContact CD1-CG2 4.21Å; F161-P175 WeakPolarHBondContact O-CB 3.37Å; F161-C178 HydrophobicContact CB-CB 4.28Å; F161-M237 HydrophobicContact CE2-CB 4.37Å; F161-M237 HydrophobicContact CE2-CE 3.93Å; F161-M237 HydrophobicContact CZ-CB 3.7Å; F161-M237 HydrophobicContact CZ-CE 4.28Å; F161-A241 HydrophobicContact CD1-CB 4.47Å; F161-A241 HydrophobicContact CD2-CB 4.02Å; F161-A241 HydrophobicContact CE1-CB 4.28Å; F161-A241 HydrophobicContact CE2-CB 3.78Å; F161-A241 HydrophobicContact CG-CB 4.34Å; F161-A241 HydrophobicContact CZ-CB 3.95Å
162A88.3Confident84.8Confident19 Ų1957.7 Ų57.716%0.15729%0.293CS..Hα-helixtrans-71.6-23.6-179.900000110.7C158 F159 L160 C178 R179C158-A162 WeakPolarHBondContact O-CB 3.4Å; C158-A162 PolarHBondContact O-N 2.89Å; F159-A162 PolarHBondContact O-N 3.32Å; L160-A162 PolarHBondContact O-N 3.33Å; A162-C178 HydrophobicContact CB-CB 4.47Å; A162-R179 HydrophobicContact CB-CB 4.28Å
163K85.7Confident84.4Confident45 Ų4559.6 Ų59.620%0.19630%0.298CS..Hα-helixtrans-103.9-4.2-175.7-63.3-68.8-174.9-174.90110.6F159 L160 F161 P221 E223 E352F159-K163 WeakPolarHBondContact O-CG 2.98Å; F159-K163 PolarHBondContact O-N 3.29Å; L160-K163 PolarHBondContact O-N 2.76Å; L160-K163 VanDerWaalsContact O-N 3.08Å; F161-K163 PolarHBondContact O-N 3.4Å; K163-P221 HydrophobicContact CB-CG 4.35Å; K163-P221 HydrophobicContact CG-CG 3.97Å; K163-E223 IonicContact NZ-OE1 3.69Å; K163-E352 IonicContact NZ-OE2 2.74Å; K163-E352 PolarHBondContact NZ-OE2 3.37Å
164L82.7Confident84Confident38 Ų3855.5 Ų55.520%0.19928%0.276CS..SBendtrans-74.2146.7-178.6-74.5171.4000110.6L160 F161 I226L160-L164 HydrophobicContact CG-CD1 4.36Å; L160-L164 HydrophobicContact CG-CG 4.48Å; L160-L164 WeakPolarHBondContact O-CG 2.85Å; L160-L164 PolarHBondContact O-N 3.27Å; F161-L164 HydrophobicContact CB-CD1 4.48Å; F161-L164 HydrophobicContact CD1-CD1 3.75Å; F161-L164 HydrophobicContact CE1-CD1 4.12Å; F161-L164 HydrophobicContact CG-CD1 4.05Å; F161-L164 PolarHBondContact O-N 2.95Å; L164-I226 HydrophobicContact CD2-CB 4.4Å; L164-I226 HydrophobicContact CD2-CD1 4.29Å
165K77.6Confident83.7Confident140 Ų14056.3 Ų56.361%0.60928%0.281SS*.PPolyproline II helixtrans-75.9151.8178-68.6-175.2-179.6-179.50110.4K167 A225K165-K167 PolarHBondContact O-N 3.23Å; K165-K167 VanDerWaalsContact O-N 3.12Å; K165-A225 HydrophobicContact CD-CB 4.48Å
166K74.9Confident83.4Confident184 Ų18460.6 Ų60.680%0.830%0.301SS*.PPolyproline II helixtrans-65.4116.2-178.5-68.1-178-177.3179.70110.4
167K72.1Confident83Confident54 Ų5460 Ų6024%0.23530%0.295CS..  trans-117.30173.1-69.9-172.3179.1178.60109.9K165 R169 I170 E228K165-K167 PolarHBondContact O-N 3.23Å; K165-K167 VanDerWaalsContact O-N 3.12Å; K167-R169 PolarHBondContact O-N 3.37Å; K167-I170 PolarHBondContact O-N 3.19Å; K167-E228 HydrophobicContact CD-CG 3.64Å; K167-E228 CovalentContact CD-OE1 1.56Å; K167-E228 WeakPolarHBondContact CD-OE1 3.23Å; K167-E228 WeakPolarHBondContact CD-OE2 2.91Å; K167-E228 WeakPolarHBondContact CE-OE1 3.3Å; K167-E228 WeakPolarHBondContact CE-OE2 3.39Å; K167-E228 WeakPolarHBondContact CG-OE1 3.31Å; K167-E228 CovalentContact NZ-CD 0.58Å; K167-E228 CovalentContact NZ-CG 1.33Å; K167-E228 IonicContact NZ-OE1 3.3Å; K167-E228 PolarHBondContact NZ-OE1 3.38Å; K167-E228 IonicContact NZ-OE2 3.99Å; K167-E228 PolarHBondContact NZ-OE2 2.73Å
168S63Low83Confident135 Ų13559.1 Ų59.194%0.94429%0.29SS*.SBend000177.90000111.1
169R75.9Confident82.8Confident204 Ų20461.6 Ų61.677%0.7730%0.299SS*.SBend0-15.30-70.3-167.7177.9165.60110.9K167K167-R169 PolarHBondContact O-N 3.37Å
170I78Confident82.6Confident12 Ų1265.8 Ų65.86%0.06232%0.315CS..SBendtrans-110124.8-179.5-60168.2000108.7F161 K167 S172 I174 P175 V238F161-I170 HydrophobicContact CE1-CD1 4.35Å; K167-I170 PolarHBondContact O-N 3.19Å; I170-S172 PolarHBondContact O-N 3.12Å; I170-I174 HydrophobicContact CG2-CB 4.31Å; I170-I174 HydrophobicContact CG2-CD1 4.45Å; I170-P175 HydrophobicContact CG2-CG 4.03Å; I170-V238 HydrophobicContact CG1-CG2 4.26Å
171P79Confident82.6Confident27 Ų2763 Ų6318%0.17530%0.301CS..  trans-60.8133.2176.5-20.830000111.6R173 I174 P175P171-R173 PolarHBondContact O-N 3.38Å; P171-I174 HydrophobicContact CB-CD1 4.42Å; P171-I174 HydrophobicContact CB-CG1 4.34Å; P171-I174 HydrophobicContact CG-CD1 4.04Å; P171-I174 HydrophobicContact CG-CG1 4.5Å; P171-I174 PolarHBondContact O-N 3.06Å; P171-P175 WeakPolarHBondContact O-CD 3.39Å
172S80.9Confident82.8Confident74 Ų7462.9 Ų62.952%0.51730%0.3SS..THydrogen-bonded Turntrans-58.4-19.6-175.659.40000111.2I170 I174 H176I170-S172 PolarHBondContact O-N 3.12Å; S172-I174 VanDerWaalsContact C-N 3.26Å; S172-I174 PolarHBondContact O-N 3.39Å; S172-H176 PolarHBondContact O-N 3.36Å
173R83Confident82.9Confident100 Ų10062 Ų6238%0.37729%0.293SS..Hα-helixtrans-69.8-32.1-177.1179.9-178.2168.6172.60.9111D129 M131 P171 H176 M177D129-R173 IonicContact OD1-CZ 2.84Å; D129-R173 IonicContact OD1-NH1 3.29Å; D129-R173 PolarHBondContact OD1-NH1 3.44Å; D129-R173 IonicContact OD1-NH2 3.98Å; D129-R173 IonicContact OD2-NH1 3.34Å; M131-R173 PolarHBondContact SD-NH2 3.46Å; P171-R173 PolarHBondContact O-N 3.38Å; R173-H176 PolarHBondContact O-N 3.37Å; R173-M177 HydrophobicContact CG-CG 3.97Å; R173-M177 WeakPolarHBondContact O-CB 3.25Å; R173-M177 WeakPolarHBondContact O-CG 3.31Å; R173-M177 PolarHBondContact O-N 2.86Å
174I84.7Confident83.2Confident13 Ų1360.2 Ų60.27%0.06729%0.285CS..Hα-helixtrans-72.7-51.1-171-67.2-177.7000109.8F161 I170 P171 S172 H176 M177 C178 V238 A241 I245F161-I174 HydrophobicContact CD1-CG2 4.21Å; I170-I174 HydrophobicContact CG2-CB 4.31Å; I170-I174 HydrophobicContact CG2-CD1 4.45Å; P171-I174 HydrophobicContact CB-CD1 4.42Å; P171-I174 HydrophobicContact CB-CG1 4.34Å; P171-I174 HydrophobicContact CG-CD1 4.04Å; P171-I174 HydrophobicContact CG-CG1 4.5Å; P171-I174 PolarHBondContact O-N 3.06Å; S172-I174 VanDerWaalsContact C-N 3.26Å; S172-I174 PolarHBondContact O-N 3.39Å; I174-H176 PolarHBondContact O-N 3.46Å; I174-M177 PolarHBondContact O-N 3.06Å; I174-C178 WeakPolarHBondContact O-CB 2.98Å; I174-C178 PolarHBondContact O-N 3.16Å; I174-C178 PolarHBondContact O-SG 3.17Å; I174-V238 HydrophobicContact CD1-CB 4.26Å; I174-V238 HydrophobicContact CD1-CG1 3.17Å; I174-V238 HydrophobicContact CD1-CG2 4.48Å; I174-A241 HydrophobicContact CG2-CB 3.85Å; I174-I245 HydrophobicContact CB-CD1 4.32Å; I174-I245 HydrophobicContact CG2-CD1 3.74Å
175P87.3Confident83.7Confident17 Ų1758.4 Ų58.411%0.1128%0.276CS..Hα-helixtrans-63.40179.8-24.131.2000111.9F161 I170 P171 M177 C178 R179F161-P175 WeakPolarHBondContact O-CB 3.37Å; I170-P175 HydrophobicContact CG2-CG 4.03Å; P171-P175 WeakPolarHBondContact O-CD 3.39Å; P175-M177 VanDerWaalsContact C-N 3.31Å; P175-C178 PolarHBondContact O-N 2.85Å; P175-R179 WeakPolarHBondContact O-CB 3.38Å; P175-R179 PolarHBondContact O-N 3.3Å
176H86.9Confident84.4Confident91 Ų9152 Ų5242%0.42125%0.248SC..Hα-helix0-42.10179.473.7000111.1S172 R173 I174 C178 R179 R180S172-H176 PolarHBondContact O-N 3.36Å; R173-H176 PolarHBondContact O-N 3.37Å; I174-H176 PolarHBondContact O-N 3.46Å; H176-C178 VanDerWaalsContact C-N 3.29Å; H176-C178 PolarHBondContact O-N 2.69Å; H176-R179 WeakPolarHBondContact O-CB 3.33Å; H176-R179 PolarHBondContact O-N 3.44Å; H176-R180 PolarHBondContact O-N 3.49Å
177M86.5Confident85.1Confident25 Ų2543.2 Ų43.212%0.12321%0.21CC..Hα-helixtrans-68.3-40.3179.9-71.3-55.5-67.300110.3R173 I174 P175 R179 R180 L181 I245R173-M177 HydrophobicContact CG-CG 3.97Å; R173-M177 WeakPolarHBondContact O-CB 3.25Å; R173-M177 WeakPolarHBondContact O-CG 3.31Å; R173-M177 PolarHBondContact O-N 2.86Å; I174-M177 PolarHBondContact O-N 3.06Å; P175-M177 VanDerWaalsContact C-N 3.31Å; M177-R179 PolarHBondContact O-N 3.47Å; M177-R180 PolarHBondContact O-N 3.36Å; M177-R180 PolarHBondContact SD-NH2 3.3Å; M177-L181 WeakPolarHBondContact O-CG 3.14Å; M177-L181 PolarHBondContact O-N 2.84Å; M177-I245 HydrophobicContact CB-CD1 4.09Å; M177-I245 HydrophobicContact CB-CG2 4.04Å
178C90.7Very high86.1Confident0 Ų041.2 Ų41.20%020%0.201CC..Hα-helixtrans-62.4-38.5179.9-73.40000110.7C158 F161 A162 I174 P175 H176 R180 L181 T182C158-C178 HydrophobicContact CB-CB 4.42Å; F161-C178 HydrophobicContact CB-CB 4.28Å; A162-C178 HydrophobicContact CB-CB 4.47Å; I174-C178 WeakPolarHBondContact O-CB 2.98Å; I174-C178 PolarHBondContact O-N 3.16Å; I174-C178 PolarHBondContact O-SG 3.17Å; P175-C178 PolarHBondContact O-N 2.85Å; H176-C178 VanDerWaalsContact C-N 3.29Å; H176-C178 PolarHBondContact O-N 2.69Å; C178-R180 VanDerWaalsContact C-N 3.29Å; C178-L181 PolarHBondContact O-N 3.22Å; C178-T182 VanDerWaalsContact O-CB 3.3Å; C178-T182 WeakPolarHBondContact O-CB 3.31Å; C178-T182 WeakPolarHBondContact O-CG2 3.03Å; C178-T182 PolarHBondContact O-N 2.93Å; C178-T182 PolarHBondContact O-OG1 3.37Å
179R89.4Confident87.5Confident53 Ų5334.8 Ų34.820%0.216%0.156CC..Hα-helixtrans-65.2-44.5177.8178.467175164.91.3111.2A162 P175 H176 M177 L181 T182 V183 F290 E352A162-R179 HydrophobicContact CB-CB 4.28Å; P175-R179 WeakPolarHBondContact O-CB 3.38Å; P175-R179 PolarHBondContact O-N 3.3Å; H176-R179 WeakPolarHBondContact O-CB 3.33Å; H176-R179 PolarHBondContact O-N 3.44Å; M177-R179 PolarHBondContact O-N 3.47Å; R179-L181 VanDerWaalsContact C-N 3.32Å; R179-L181 PolarHBondContact O-N 3.35Å; R179-T182 WeakPolarHBondContact CA-OG1 2.94Å; R179-T182 PolarHBondContact O-N 3.2Å; R179-T182 PolarHBondContact O-OG1 2.91Å; R179-V183 WeakPolarHBondContact O-CG2 3.49Å; R179-V183 PolarHBondContact O-N 2.97Å; R179-V183 VanDerWaalsContact O-N 3.1Å; R179-F290 HydrophobicContact CG-CE1 4.02Å; R179-F290 HydrophobicContact CG-CZ 4.21Å; R179-E352 IonicContact CZ-OE1 2.77Å; R179-E352 VanDerWaalsContact CZ-OE1 3.29Å; R179-E352 IonicContact CZ-OE2 3.77Å; R179-E352 VanDerWaalsContact NH1-CD 3.32Å; R179-E352 IonicContact NH1-OE1 2.88Å; R179-E352 PolarHBondContact NH1-OE1 3.24Å; R179-E352 IonicContact NH1-OE2 3.68Å; R179-E352 PolarHBondContact NH1-OE2 3.26Å; R179-E352 IonicContact NH2-OE1 3.2Å; R179-E352 PolarHBondContact NH2-OE1 3.02Å; R179-E352 IonicContact NH2-OE2 1.92Å; R179-E352 PolarHBondContact NH2-OE2 3.49Å
180R89.2Confident88.3Confident88 Ų8825.7 Ų25.733%0.33212%0.123SC..Hα-helixtrans-60.3-45.8179.5-175.4177.476.3175.7-1.2110.7H176 M177 C178 V183 E184H176-R180 PolarHBondContact O-N 3.49Å; M177-R180 PolarHBondContact O-N 3.36Å; M177-R180 PolarHBondContact SD-NH2 3.3Å; C178-R180 VanDerWaalsContact C-N 3.29Å; R180-V183 PolarHBondContact O-N 3.28Å; R180-E184 WeakPolarHBondContact CG-OE1 3.13Å; R180-E184 IonicContact NE-OE1 3.3Å; R180-E184 WeakPolarHBondContact O-CG 3.17Å; R180-E184 PolarHBondContact O-N 3.17Å
181L90.7Very high88.8Confident2 Ų226.9 Ų26.91%0.0113%0.128CC..Hα-helixtrans-71.1-35.3-174.8-71.5172.2000110.2M177 C178 R179 V183 E184 F185 I245 M248 N252M177-L181 WeakPolarHBondContact O-CG 3.14Å; M177-L181 PolarHBondContact O-N 2.84Å; C178-L181 PolarHBondContact O-N 3.22Å; R179-L181 VanDerWaalsContact C-N 3.32Å; R179-L181 PolarHBondContact O-N 3.35Å; L181-V183 VanDerWaalsContact C-N 3.26Å; L181-V183 PolarHBondContact O-N 3.49Å; L181-E184 PolarHBondContact O-N 3.19Å; L181-F185 WeakPolarHBondContact O-CB 3.5Å; L181-F185 PolarHBondContact O-N 3.15Å; L181-I245 HydrophobicContact CD1-CB 4Å; L181-I245 HydrophobicContact CD1-CG1 4.33Å; L181-I245 HydrophobicContact CD1-CG2 3.45Å; L181-I245 VanDerWaalsContact CD1-CG2 3.45Å; L181-I245 WeakPolarHBondContact CD1-O 2.87Å; L181-M248 HydrophobicContact CB-CE 3.69Å; L181-M248 HydrophobicContact CD1-CB 4.06Å; L181-M248 HydrophobicContact CD1-CE 3.82Å; L181-M248 HydrophobicContact CG-CE 4.43Å; L181-N252 PolarHBondContact O-ND2 3.18Å
182T92.3Very high89.3Confident0 Ų028 Ų280%013%0.134CC..Hα-helixtrans-67.1-38.2179.553.40000110.8C158 F159 C178 R179 E184 F185 M186C158-T182 HydrophobicContact CB-CG2 3.74Å; F159-T182 HydrophobicContact CD1-CG2 4.15Å; F159-T182 HydrophobicContact CD2-CG2 4.26Å; F159-T182 HydrophobicContact CE1-CG2 4.24Å; F159-T182 HydrophobicContact CE2-CG2 4.33Å; F159-T182 HydrophobicContact CG-CG2 4.16Å; F159-T182 HydrophobicContact CZ-CG2 4.33Å; C178-T182 VanDerWaalsContact O-CB 3.3Å; C178-T182 WeakPolarHBondContact O-CB 3.31Å; C178-T182 WeakPolarHBondContact O-CG2 3.03Å; C178-T182 PolarHBondContact O-N 2.93Å; C178-T182 PolarHBondContact O-OG1 3.37Å; R179-T182 WeakPolarHBondContact CA-OG1 2.94Å; R179-T182 PolarHBondContact O-N 3.2Å; R179-T182 PolarHBondContact O-OG1 2.91Å; T182-E184 VanDerWaalsContact C-N 3.25Å; T182-E184 PolarHBondContact O-N 3.1Å; T182-F185 WeakPolarHBondContact O-CB 3.37Å; T182-F185 PolarHBondContact O-N 3.34Å; T182-M186 WeakPolarHBondContact O-CG 3.44Å; T182-M186 PolarHBondContact O-N 3.4Å
183V91.4Very high89.7Confident1 Ų128 Ų281%0.00613%0.125CC..Hα-helixtrans-69.4-38.7-179.6171.50000109.7R179 R180 L181 F185 M186 H187 I289 F290 L292R179-V183 WeakPolarHBondContact O-CG2 3.49Å; R179-V183 PolarHBondContact O-N 2.97Å; R179-V183 VanDerWaalsContact O-N 3.1Å; R180-V183 PolarHBondContact O-N 3.28Å; L181-V183 VanDerWaalsContact C-N 3.26Å; L181-V183 PolarHBondContact O-N 3.49Å; V183-F185 PolarHBondContact O-N 2.87Å; V183-M186 WeakPolarHBondContact O-CB 2.98Å; V183-M186 PolarHBondContact O-N 3.46Å; V183-M186 VanDerWaalsContact O-N 3.13Å; V183-H187 PolarHBondContact O-CD2 3.33Å; V183-H187 VanDerWaalsContact O-CD2 3.29Å; V183-H187 PolarHBondContact O-N 3.34Å; V183-I289 HydrophobicContact CG1-CG2 3.86Å; V183-I289 WeakPolarHBondContact CG1-O 3.3Å; V183-F290 HydrophobicContact CB-CD1 3.66Å; V183-F290 HydrophobicContact CB-CE1 3.91Å; V183-F290 HydrophobicContact CG1-CD1 3.69Å; V183-F290 HydrophobicContact CG1-CE1 4.3Å; V183-F290 HydrophobicContact CG2-CD1 3.15Å; V183-F290 HydrophobicContact CG2-CE1 3.57Å; V183-F290 HydrophobicContact CG2-CG 4.3Å; V183-L292 HydrophobicContact CG1-CD2 3.99Å
184E90.4Very high90.1Very high6 Ų623.4 Ų23.43%0.02811%0.109CC..Hα-helixtrans-61.2-41.7178.2-69.2174.818000110.7R180 L181 T182 M186 H187 F188 Y256 P265R180-E184 WeakPolarHBondContact CG-OE1 3.13Å; R180-E184 IonicContact NE-OE1 3.3Å; R180-E184 WeakPolarHBondContact O-CG 3.17Å; R180-E184 PolarHBondContact O-N 3.17Å; L181-E184 PolarHBondContact O-N 3.19Å; T182-E184 VanDerWaalsContact C-N 3.25Å; T182-E184 PolarHBondContact O-N 3.1Å; E184-M186 VanDerWaalsContact C-N 3.25Å; E184-M186 PolarHBondContact O-N 3.21Å; E184-H187 WeakPolarHBondContact O-CB 3.48Å; E184-H187 PolarHBondContact O-N 2.75Å; E184-F188 PolarHBondContact O-N 3.03Å; E184-Y256 VanDerWaalsContact C-OH 3.24Å; E184-Y256 WeakPolarHBondContact CA-OH 3.33Å; E184-Y256 HydrophobicContact CB-CE2 4.42Å; E184-Y256 PolarHBondContact O-OH 2.86Å; E184-P265 HydrophobicContact CG-CG 3.67Å
185F92.9Very high90.5Very high0 Ų023 Ų230%011%0.106CC..Hα-helixtrans-64.8-41.3179.4179.8-104.1000110.4L151 L155 L181 T182 V183 H187 F188 V189 I211 W218 L255L151-F185 HydrophobicContact CD2-CE2 3.81Å; L151-F185 HydrophobicContact CD2-CZ 4.2Å; L155-F185 HydrophobicContact CD1-CD1 4.4Å; L155-F185 HydrophobicContact CD1-CE1 3.67Å; L155-F185 HydrophobicContact CD1-CE2 4.31Å; L155-F185 HydrophobicContact CD1-CZ 3.6Å; L155-F185 HydrophobicContact CD2-CB 4.46Å; L155-F185 HydrophobicContact CD2-CD1 3.65Å; L155-F185 HydrophobicContact CD2-CD2 4.22Å; L155-F185 HydrophobicContact CD2-CE1 3.82Å; L155-F185 HydrophobicContact CD2-CE2 4.38Å; L155-F185 HydrophobicContact CD2-CG 3.87Å; L155-F185 HydrophobicContact CD2-CZ 4.18Å; L155-F185 HydrophobicContact CG-CE1 4.41Å; L181-F185 WeakPolarHBondContact O-CB 3.5Å; L181-F185 PolarHBondContact O-N 3.15Å; T182-F185 WeakPolarHBondContact O-CB 3.37Å; T182-F185 PolarHBondContact O-N 3.34Å; V183-F185 PolarHBondContact O-N 2.87Å; F185-H187 PolarHBondContact O-N 3.27Å; F185-F188 VanDerWaalsContact O-CB 3.26Å; F185-F188 WeakPolarHBondContact O-CB 3.42Å; F185-F188 PolarHBondContact O-N 3.22Å; F185-V189 HydrophobicContact CD1-CG2 4.14Å; F185-V189 HydrophobicContact CE1-CG2 3.78Å; F185-V189 HydrophobicContact CZ-CG2 3.99Å; F185-V189 WeakPolarHBondContact O-CG2 3.26Å; F185-V189 PolarHBondContact O-N 3.14Å; F185-I211 HydrophobicContact CE2-CD1 3.75Å; F185-I211 HydrophobicContact CZ-CD1 3.61Å; F185-W218 HydrophobicContact CD1-CZ2 4.48Å; F185-W218 HydrophobicContact CE1-CD2 4.43Å; F185-W218 HydrophobicContact CE1-CE3 4.36Å; F185-W218 AromaticContact CE1-CH2 3.61Å; F185-W218 HydrophobicContact CE1-CH2 3.61Å; F185-W218 AromaticContact CE1-CZ2 3.73Å; F185-W218 HydrophobicContact CE1-CZ2 3.73Å; F185-W218 AromaticContact CE1-CZ3 3.94Å; F185-W218 HydrophobicContact CE1-CZ3 3.94Å; F185-W218 HydrophobicContact CZ-CH2 4.21Å; F185-W218 HydrophobicContact CZ-CZ3 4.2Å; F185-L255 HydrophobicContact CD2-CD1 4.49Å; F185-L255 HydrophobicContact CE2-CD1 4.3Å
186M92.8Very high90.7Very high5 Ų524.2 Ų24.23%0.02511%0.109CC..Hα-helixtrans-61.3-37.5178.3-71.7-175.5177.800111.3F159 T182 V183 E184 F188 V189 I190 L292 F356F159-M186 HydrophobicContact CD1-CE 3.82Å; F159-M186 HydrophobicContact CE1-CE 2.63Å; F159-M186 HydrophobicContact CE1-SD 4.21Å; F159-M186 HydrophobicContact CZ-CE 3.13Å; F159-M186 HydrophobicContact CZ-CG 4.18Å; F159-M186 HydrophobicContact CZ-SD 4.47Å; T182-M186 WeakPolarHBondContact O-CG 3.44Å; T182-M186 PolarHBondContact O-N 3.4Å; V183-M186 WeakPolarHBondContact O-CB 2.98Å; V183-M186 PolarHBondContact O-N 3.46Å; V183-M186 VanDerWaalsContact O-N 3.13Å; E184-M186 VanDerWaalsContact C-N 3.25Å; E184-M186 PolarHBondContact O-N 3.21Å; M186-F188 PolarHBondContact O-N 3.43Å; M186-V189 PolarHBondContact O-N 3.12Å; M186-I190 WeakPolarHBondContact O-CG1 3.33Å; M186-I190 PolarHBondContact O-N 2.77Å; M186-L292 HydrophobicContact CB-CD1 4.49Å; M186-L292 HydrophobicContact CB-CD2 3.92Å; M186-L292 HydrophobicContact SD-CD1 3.97Å; M186-F356 HydrophobicContact CB-CD2 3.87Å; M186-F356 HydrophobicContact CB-CE2 3.88Å; M186-F356 HydrophobicContact CG-CD2 4.14Å; M186-F356 HydrophobicContact CG-CE2 4.11Å; M186-F356 HydrophobicContact SD-CD2 4.5Å
187H90.9Very high91Very high1 Ų123.5 Ų23.51%0.00511%0.105CC..Hα-helixtrans-65.9-39.3178-87.1-58.4000110.7V183 E184 F185 V189 I190 E191 I289 L292 L296V183-H187 PolarHBondContact O-CD2 3.33Å; V183-H187 VanDerWaalsContact O-CD2 3.29Å; V183-H187 PolarHBondContact O-N 3.34Å; E184-H187 WeakPolarHBondContact O-CB 3.48Å; E184-H187 PolarHBondContact O-N 2.75Å; F185-H187 PolarHBondContact O-N 3.27Å; H187-V189 PolarHBondContact O-N 3.35Å; H187-I190 WeakPolarHBondContact O-CB 3Å; H187-I190 PolarHBondContact O-N 3.16Å; H187-I190 VanDerWaalsContact O-N 3.12Å; H187-E191 WeakPolarHBondContact O-CG 3.5Å; H187-E191 PolarHBondContact O-N 3.47Å; H187-I289 PolarHBondContact NE2-O 3.09Å; H187-L292 WeakPolarHBondContact CE1-CA 3.47Å; H187-L292 VanDerWaalsContact CE1-CD2 3.42Å; H187-L292 WeakPolarHBondContact CE1-CD2 3.43Å; H187-L292 VanDerWaalsContact NE2-CD2 3.31Å; H187-L292 WeakPolarHBondContact NE2-CD2 3.38Å; H187-L296 HydrophobicContact CB-CD1 3.43Å; H187-L296 VanDerWaalsContact CB-CD1 3.43Å; H187-L296 HydrophobicContact CB-CG 4.38Å
188F92.1Very high91.3Very high11 Ų1122.3 Ų22.35%0.04810%0.099CC..Hα-helixtrans-60.5-42178.7168.6-103.4000110.4E184 F185 M186 I190 E191 T192 I211 L255 Y256 A259E184-F188 PolarHBondContact O-N 3.03Å; F185-F188 VanDerWaalsContact O-CB 3.26Å; F185-F188 WeakPolarHBondContact O-CB 3.42Å; F185-F188 PolarHBondContact O-N 3.22Å; M186-F188 PolarHBondContact O-N 3.43Å; F188-I190 PolarHBondContact O-N 2.73Å; F188-E191 PolarHBondContact O-N 3.44Å; F188-T192 HydrophobicContact CD2-CG2 3.97Å; F188-T192 HydrophobicContact CE1-CG2 4.39Å; F188-T192 HydrophobicContact CE2-CG2 3.56Å; F188-T192 HydrophobicContact CZ-CG2 3.79Å; F188-T192 WeakPolarHBondContact O-CG2 3.4Å; F188-T192 PolarHBondContact O-N 3.07Å; F188-T192 PolarHBondContact O-OG1 3.41Å; F188-I211 HydrophobicContact CE1-CG1 4.38Å; F188-I211 HydrophobicContact CE1-CG2 4.14Å; F188-I211 HydrophobicContact CZ-CG2 4.44Å; F188-L255 HydrophobicContact CD1-CB 4.46Å; F188-L255 HydrophobicContact CD1-CD1 3.97Å; F188-L255 HydrophobicContact CD2-CB 3.86Å; F188-L255 HydrophobicContact CE1-CB 4.17Å; F188-L255 HydrophobicContact CE1-CD1 3.72Å; F188-L255 HydrophobicContact CE1-CD2 4.04Å; F188-L255 HydrophobicContact CE1-CG 4.2Å; F188-L255 HydrophobicContact CE2-CB 3.51Å; F188-L255 HydrophobicContact CE2-CD2 4.29Å; F188-L255 HydrophobicContact CE2-CG 4.35Å; F188-L255 WeakPolarHBondContact CE2-O 3.44Å; F188-L255 HydrophobicContact CG-CB 4.32Å; F188-L255 HydrophobicContact CZ-CB 3.68Å; F188-L255 HydrophobicContact CZ-CD1 4.06Å; F188-L255 HydrophobicContact CZ-CD2 3.63Å; F188-L255 HydrophobicContact CZ-CG 4.01Å; F188-Y256 HydrophobicContact CB-CE2 3.87Å; F188-A259 HydrophobicContact CD2-CB 4.38Å; F188-A259 HydrophobicContact CE2-CB 3.94Å
189V92.9Very high91.5Very high0 Ų024.2 Ų24.20%011%0.107CC..Hα-helixtrans-68.2-34-178.1174.40000109.5F185 M186 H187 E191 T192 K193 A194 L195 A209 W218 F356F185-V189 HydrophobicContact CD1-CG2 4.14Å; F185-V189 HydrophobicContact CE1-CG2 3.78Å; F185-V189 HydrophobicContact CZ-CG2 3.99Å; F185-V189 WeakPolarHBondContact O-CG2 3.26Å; F185-V189 PolarHBondContact O-N 3.14Å; M186-V189 PolarHBondContact O-N 3.12Å; H187-V189 PolarHBondContact O-N 3.35Å; V189-E191 VanDerWaalsContact C-N 3.28Å; V189-E191 PolarHBondContact O-N 2.42Å; V189-T192 PolarHBondContact O-N 2.92Å; V189-T192 PolarHBondContact O-OG1 3.46Å; V189-K193 WeakPolarHBondContact O-CA 3.49Å; V189-K193 PolarHBondContact O-N 3.14Å; V189-A194 HydrophobicContact CG1-CB 4.37Å; V189-A194 PolarHBondContact O-N 3.33Å; V189-L195 HydrophobicContact CG1-CB 4.29Å; V189-A209 HydrophobicContact CG1-CB 4.33Å; V189-W218 HydrophobicContact CG2-CH2 4.36Å; V189-F356 HydrophobicContact CB-CE2 3.9Å; V189-F356 HydrophobicContact CB-CZ 4.03Å; V189-F356 HydrophobicContact CG1-CE2 3.98Å; V189-F356 HydrophobicContact CG1-CZ 3.72Å
190I91.8Very high91.7Very high13 Ų1323.8 Ų23.87%0.06711%0.11CC..Hα-helixtrans-68.3-39.3-179.8-70.9172.4000109.9M186 H187 F188 T192 K193 L292 F356 R359M186-I190 WeakPolarHBondContact O-CG1 3.33Å; M186-I190 PolarHBondContact O-N 2.77Å; H187-I190 WeakPolarHBondContact O-CB 3Å; H187-I190 PolarHBondContact O-N 3.16Å; H187-I190 VanDerWaalsContact O-N 3.12Å; F188-I190 PolarHBondContact O-N 2.73Å; I190-T192 VanDerWaalsContact C-N 3.32Å; I190-K193 PolarHBondContact O-N 3.01Å; I190-L292 HydrophobicContact CD1-CB 4.18Å; I190-L292 HydrophobicContact CD1-CD2 4.01Å; I190-F356 HydrophobicContact CD1-CD2 3.94Å; I190-F356 HydrophobicContact CG1-CD2 3.76Å; I190-F356 HydrophobicContact CG1-CE2 3.98Å; I190-R359 HydrophobicContact CD1-CB 4.15Å; I190-R359 HydrophobicContact CG1-CB 4.34Å; I190-R359 HydrophobicContact CG2-CB 3.75Å
191E88.8Confident91.8Very high38 Ų3821.2 Ų21.218%0.17811%0.106CC..Hα-helixtrans-75.6-34.3-175.7-72.4-62.7153.800110.5H187 F188 V189 K193 L261 L296H187-E191 WeakPolarHBondContact O-CG 3.5Å; H187-E191 PolarHBondContact O-N 3.47Å; F188-E191 PolarHBondContact O-N 3.44Å; V189-E191 VanDerWaalsContact C-N 3.28Å; V189-E191 PolarHBondContact O-N 2.42Å; E191-K193 PolarHBondContact O-N 3.21Å; E191-L261 HydrophobicContact CB-CD1 4.07Å; E191-L261 HydrophobicContact CG-CD1 4.2Å; E191-L296 HydrophobicContact CG-CB 4.44Å; E191-L296 HydrophobicContact CG-CD1 3.91Å; E191-L296 PolarHBondContact OE1-N 3.17Å
192T89.4Confident91.9Very high50 Ų5029 Ų2931%0.30715%0.146SC..Hα-helixtrans-89.3-3.1-178.154.60000109.7F188 V189 I190 A194 A259F188-T192 HydrophobicContact CD2-CG2 3.97Å; F188-T192 HydrophobicContact CE1-CG2 4.39Å; F188-T192 HydrophobicContact CE2-CG2 3.56Å; F188-T192 HydrophobicContact CZ-CG2 3.79Å; F188-T192 WeakPolarHBondContact O-CG2 3.4Å; F188-T192 PolarHBondContact O-N 3.07Å; F188-T192 PolarHBondContact O-OG1 3.41Å; V189-T192 PolarHBondContact O-N 2.92Å; V189-T192 PolarHBondContact O-OG1 3.46Å; I190-T192 VanDerWaalsContact C-N 3.32Å; T192-A194 VanDerWaalsContact C-N 3.3Å; T192-A194 PolarHBondContact O-N 3.34Å; T192-A259 HydrophobicContact CG2-CB 4.21Å
193K90.3Very high91.8Very high73 Ų7336.6 Ų36.632%0.31718%0.179SC..THydrogen-bonded Turntrans46.459-177.6-61-177.7-179.3179.30111.2V189 I190 E191 R196 Q335 A360V189-K193 WeakPolarHBondContact O-CA 3.49Å; V189-K193 PolarHBondContact O-N 3.14Å; I190-K193 PolarHBondContact O-N 3.01Å; E191-K193 PolarHBondContact O-N 3.21Å; K193-R196 PolarHBondContact O-NH1 2.85Å; K193-Q335 HydrophobicContact CB-CB 4.23Å; K193-Q335 HydrophobicContact CB-CG 3.86Å; K193-Q335 HydrophobicContact CD-CB 4.04Å; K193-Q335 WeakPolarHBondContact O-CG 3.44Å; K193-Q335 PolarHBondContact O-NE2 2.7Å; K193-A360 WeakPolarHBondContact CG-O 3.31Å
194A91.5Very high91.8Very high5 Ų536.5 Ų36.54%0.04118%0.178CC..  trans-1067.7-171.100000109.5V189 T192 R196 A209 E210V189-A194 HydrophobicContact CG1-CB 4.37Å; V189-A194 PolarHBondContact O-N 3.33Å; T192-A194 VanDerWaalsContact C-N 3.3Å; T192-A194 PolarHBondContact O-N 3.34Å; A194-R196 PolarHBondContact O-NH1 3.23Å; A194-A209 HydrophobicContact CB-CB 4.44Å; A194-A209 VanDerWaalsContact O-CA 3.28Å; A194-A209 WeakPolarHBondContact O-CA 3.46Å; A194-E210 VanDerWaalsContact CB-O 3.25Å; A194-E210 WeakPolarHBondContact CB-O 3.48Å; A194-E210 PolarHBondContact O-N 2.83Å
195L92.9Very high92Very high3 Ų336.6 Ų36.62%0.01618%0.179CC..EExtended strand (participates in β ladder)trans-78.6134.6-176.1-176.469.6000109.5V189 V198 Y207 F356 V357 A360V189-L195 HydrophobicContact CG1-CB 4.29Å; L195-V198 HydrophobicContact CD1-CG2 4.11Å; L195-V198 HydrophobicContact CD2-CG2 3.72Å; L195-V198 HydrophobicContact CG-CG2 4.03Å; L195-Y207 HydrophobicContact CD1-CD1 4.12Å; L195-F356 HydrophobicContact CD1-CE1 3.94Å; L195-F356 HydrophobicContact CD1-CZ 4.31Å; L195-F356 HydrophobicContact CD2-CE1 4.38Å; L195-V357 HydrophobicContact CD2-CB 4.35Å; L195-V357 HydrophobicContact CD2-CG1 4.15Å; L195-V357 HydrophobicContact CD2-CG2 4.17Å; L195-A360 HydrophobicContact CB-CB 3.9Å; L195-A360 HydrophobicContact CD2-CB 3.97Å
196R90.6Very high92.2Very high43 Ų4339.5 Ų39.516%0.16219%0.191CC..EExtended strand (participates in β ladder)trans-121.1-52.6-174.9-63.3-61.9-176.6-88.20.6109.3K193 A194 Q208 E210 V331K193-R196 PolarHBondContact O-NH1 2.85Å; A194-R196 PolarHBondContact O-NH1 3.23Å; R196-Q208 PolarHBondContact N-O 3.5Å; R196-E210 HydrophobicContact CG-CB 4.11Å; R196-E210 IonicContact CZ-OE2 3.88Å; R196-E210 IonicContact NE-OE2 3.68Å; R196-E210 PolarHBondContact NE-OE2 3.26Å; R196-E210 IonicContact NH2-OE2 3.79Å; R196-V331 VanDerWaalsContact NH2-CG1 3.33Å
197K92.5Very high92.3Very high77 Ų7739.5 Ų39.534%0.33519%0.19SC..EExtended strand (participates in β ladder)trans-125.9147.1-176.6-64.1-179.4179.8177.70110.1Q208 P436 F437K197-Q208 HydrophobicContact CB-CB 3.78Å; K197-Q208 HydrophobicContact CG-CB 4.5Å; K197-Q208 PolarHBondContact N-O 3.1Å; K197-Q208 PolarHBondContact O-N 3.34Å; K197-P436 HydrophobicContact CB-CB 4.22Å; K197-P436 HydrophobicContact CB-CG 3.96Å; K197-P436 HydrophobicContact CD-CB 3.93Å; K197-P436 HydrophobicContact CD-CG 4.34Å; K197-P436 HydrophobicContact CG-CB 4.16Å; K197-P436 HydrophobicContact CG-CG 4.46Å; K197-F437 HydrophobicContact CB-CE1 4.31Å; K197-F437 HydrophobicContact CB-CZ 4.3Å; K197-F437 HydrophobicContact CD-CD1 4.23Å; K197-F437 HydrophobicContact CD-CE1 4.08Å
198V94Very high92.5Very high0 Ų040.5 Ų40.50%020%0.195CC..EExtended strand (participates in β ladder)trans-138.1134.5177.8179.10000108.2L195 V205 Y206 Y207 V357 Y410 V413 N414L195-V198 HydrophobicContact CD1-CG2 4.11Å; L195-V198 HydrophobicContact CD2-CG2 3.72Å; L195-V198 HydrophobicContact CG-CG2 4.03Å; V198-V205 HydrophobicContact CG1-CG1 4Å; V198-Y206 CarbonylContact C-O 3.45Å; V198-Y206 WeakPolarHBondContact CA-O 3.29Å; V198-Y207 HydrophobicContact CG1-CD1 4.02Å; V198-Y207 HydrophobicContact CG1-CE1 3.85Å; V198-Y207 HydrophobicContact CG2-CD1 3.95Å; V198-Y207 HydrophobicContact CG2-CE1 4.35Å; V198-V357 HydrophobicContact CG1-CG2 4.49Å; V198-V357 HydrophobicContact CG2-CG2 4.3Å; V198-Y410 HydrophobicContact CB-CD1 4.16Å; V198-Y410 HydrophobicContact CG1-CD1 3.23Å; V198-Y410 HydrophobicContact CG1-CE1 3.66Å; V198-Y410 HydrophobicContact CG1-CG 4.25Å; V198-V413 HydrophobicContact CG2-CG1 4.1Å; V198-N414 PolarHBondContact N-OD1 3Å; V198-N414 PolarHBondContact O-ND2 3.07Å; V198-N414 PolarHBondContact O-OD1 3.07Å
199F94.4Very high92.5Very high39 Ų3940 Ų4017%0.17119%0.193CC..EExtended strand (participates in β ladder)trans-141.4129.1178.3178-115.8000109.6V205 Y206 H433 S435 P436 F437F199-V205 CarbonylContact O-C 3.57Å; F199-V205 WeakPolarHBondContact O-CA 2.23Å; F199-Y206 AromaticContact CD1-CD2 3.72Å; F199-Y206 HydrophobicContact CD1-CD2 3.72Å; F199-Y206 HydrophobicContact CD1-CE2 4.29Å; F199-Y206 HydrophobicContact CD1-CG 4.44Å; F199-Y206 HydrophobicContact CE1-CD2 4.49Å; F199-Y206 PolarHBondContact N-O 3.14Å; F199-Y206 PolarHBondContact O-N 3.26Å; F199-H433 AromaticContact CD2-CD2 3.87Å; F199-H433 AromaticContact CD2-NE2 3.68Å; F199-H433 AromaticContact CE2-CD2 3.89Å; F199-S435 VanDerWaalsContact CD2-CA 3.47Å; F199-S435 VanDerWaalsContact CE2-CA 3.44Å; F199-P436 HydrophobicContact CB-CG 4.2Å; F199-F437 HydrophobicContact CB-CD2 4.26Å; F199-F437 HydrophobicContact CB-CE2 3.66Å; F199-F437 HydrophobicContact CG-CE2 4.43Å
200V93.6Very high92.5Very high45 Ų4543.3 Ų43.327%0.27321%0.209SC..EExtended strand (participates in β ladder)trans-100.2118.7-179.3-179.60000107.9V205 Y410 H433V200-V205 HydrophobicContact CG1-CG2 4.44Å; V200-V205 HydrophobicContact CG2-CG1 4.22Å; V200-V205 HydrophobicContact CG2-CG2 4.42Å; V200-Y410 HydrophobicContact CG2-CD1 4.1Å; V200-Y410 HydrophobicContact CG2-CD2 3.74Å; V200-Y410 HydrophobicContact CG2-CE1 4.06Å; V200-Y410 HydrophobicContact CG2-CE2 3.71Å; V200-Y410 HydrophobicContact CG2-CG 3.95Å; V200-H433 PolarHBondContact N-NE2 3.26Å; V200-H433 VanDerWaalsContact N-NE2 3.18Å
201S92.6Very high92.4Very high34 Ų3442.9 Ų42.924%0.23821%0.206CC..  trans-119.8175.1177.5172.40000110.4K203 G204 Y206 H222S201-K203 PolarHBondContact O-N 3.12Å; S201-K203 PolarHBondContact OG-N 3.08Å; S201-G204 CarbonylContact C-O 3.55Å; S201-G204 WeakPolarHBondContact CA-O 3.26Å; S201-G204 PolarHBondContact N-O 3.23Å; S201-G204 PolarHBondContact O-N 3.47Å; S201-G204 VanDerWaalsContact O-O 3.05Å; S201-Y206 VanDerWaalsContact CB-CE2 3.49Å; S201-H222 PolarHBondContact O-NE2 3.05Å
202I91.5Very high92.3Very high164 Ų16446.1 Ų46.184%0.84122%0.222SC*.SBendtrans-66.1-26.9179.5-64.7169.2000109.8G204I202-G204 VanDerWaalsContact C-N 3.33Å
203K90.3Very high92Very high160 Ų16046.5 Ų46.570%0.69624%0.237SC*.SBendtrans-79-30.6-178.7-67.2-178.4179.2-179.60111S201 I219S201-K203 PolarHBondContact O-N 3.12Å; S201-K203 PolarHBondContact OG-N 3.08Å; K203-I219 HydrophobicContact CB-CD1 3.91Å
204G92.2Very high92Very high0 Ų044.5 Ų44.50%023%0.228CC..EExtended strand (participates in β ladder)trans162.7-159.8-178.200000110.2S201 I202 T220 H222S201-G204 CarbonylContact C-O 3.55Å; S201-G204 WeakPolarHBondContact CA-O 3.26Å; S201-G204 PolarHBondContact N-O 3.23Å; S201-G204 PolarHBondContact O-N 3.47Å; S201-G204 VanDerWaalsContact O-O 3.05Å; I202-G204 VanDerWaalsContact C-N 3.33Å; G204-T220 CarbonylContact C-O 3.51Å; G204-T220 VanDerWaalsContact CA-O 3.26Å; G204-T220 WeakPolarHBondContact CA-O 3.09Å; G204-H222 WeakPolarHBondContact CA-NE2 3.44Å
205V94.2Very high92Very high8 Ų847.7 Ų47.75%0.04825%0.248CC..EExtended strand (participates in β ladder)trans-111.5122.4-176.7-176.50000107.9V198 F199 V200 Y207 I219 T220V198-V205 HydrophobicContact CG1-CG1 4Å; F199-V205 CarbonylContact O-C 3.57Å; F199-V205 WeakPolarHBondContact O-CA 2.23Å; V200-V205 HydrophobicContact CG1-CG2 4.44Å; V200-V205 HydrophobicContact CG2-CG1 4.22Å; V200-V205 HydrophobicContact CG2-CG2 4.42Å; V205-Y207 HydrophobicContact CB-CE2 3.83Å; V205-Y207 HydrophobicContact CG1-CD1 4.16Å; V205-Y207 HydrophobicContact CG1-CD2 4.3Å; V205-Y207 HydrophobicContact CG1-CE1 3.46Å; V205-Y207 VanDerWaalsContact CG1-CE1 3.46Å; V205-Y207 HydrophobicContact CG1-CE2 3.64Å; V205-Y207 WeakPolarHBondContact CG1-OH 3.49Å; V205-I219 WeakPolarHBondContact O-CA 3.35Å; V205-T220 PolarHBondContact N-O 3.37Å; V205-T220 PolarHBondContact O-N 3.36Å
206Y95.9Very high92Very high61 Ų6147.6 Ų47.624%0.23925%0.247CC..EExtended strand (participates in β ladder)trans-89128.7176.9-66.2-97.2000110.9V198 F199 S201 W218 I219V198-Y206 CarbonylContact C-O 3.45Å; V198-Y206 WeakPolarHBondContact CA-O 3.29Å; F199-Y206 AromaticContact CD1-CD2 3.72Å; F199-Y206 HydrophobicContact CD1-CD2 3.72Å; F199-Y206 HydrophobicContact CD1-CE2 4.29Å; F199-Y206 HydrophobicContact CD1-CG 4.44Å; F199-Y206 HydrophobicContact CE1-CD2 4.49Å; F199-Y206 PolarHBondContact N-O 3.14Å; F199-Y206 PolarHBondContact O-N 3.26Å; S201-Y206 VanDerWaalsContact CB-CE2 3.49Å; Y206-W218 WeakPolarHBondContact CA-O 3.47Å; Y206-I219 HydrophobicContact CD1-CB 4.25Å; Y206-I219 HydrophobicContact CD1-CD1 4.49Å; Y206-I219 HydrophobicContact CE1-CB 4.17Å; Y206-I219 HydrophobicContact CE1-CD1 3.82Å; Y206-I219 HydrophobicContact CE1-CG1 4.33Å; Y206-I219 HydrophobicContact CE2-CD1 3.94Å; Y206-I219 VanDerWaalsContact CZ-CD1 3.49Å
207Y95.5Very high92.2Very high4 Ų447.1 Ų47.12%0.01625%0.249CC..EExtended strand (participates in β ladder)trans-118.9138.8177-62.7-72.1000109.1L195 V198 V205 T217 W218 T220 S353 F356 V357L195-Y207 HydrophobicContact CD1-CD1 4.12Å; V198-Y207 HydrophobicContact CG1-CD1 4.02Å; V198-Y207 HydrophobicContact CG1-CE1 3.85Å; V198-Y207 HydrophobicContact CG2-CD1 3.95Å; V198-Y207 HydrophobicContact CG2-CE1 4.35Å; V205-Y207 HydrophobicContact CB-CE2 3.83Å; V205-Y207 HydrophobicContact CG1-CD1 4.16Å; V205-Y207 HydrophobicContact CG1-CD2 4.3Å; V205-Y207 HydrophobicContact CG1-CE1 3.46Å; V205-Y207 VanDerWaalsContact CG1-CE1 3.46Å; V205-Y207 HydrophobicContact CG1-CE2 3.64Å; V205-Y207 WeakPolarHBondContact CG1-OH 3.49Å; Y207-T217 WeakPolarHBondContact O-CA 3.25Å; Y207-W218 AromaticContact CD2-NE1 3.63Å; Y207-W218 HydrophobicContact CG-CZ2 4.35Å; Y207-W218 PolarHBondContact N-O 3.37Å; Y207-W218 PolarHBondContact O-N 2.78Å; Y207-T220 WeakPolarHBondContact CE2-OG1 3.21Å; Y207-S353 WeakPolarHBondContact OH-CB 3.26Å; Y207-S353 PolarHBondContact OH-OG 3.44Å; Y207-F356 HydrophobicContact CD1-CD1 4.2Å; Y207-F356 AromaticContact CD1-CE1 3.86Å; Y207-F356 HydrophobicContact CD1-CE1 3.86Å; Y207-F356 AromaticContact CE1-CD1 3.91Å; Y207-F356 HydrophobicContact CE1-CD1 3.91Å; Y207-F356 HydrophobicContact CE1-CE1 4.07Å; Y207-F356 HydrophobicContact CG-CE1 4.13Å; Y207-V357 HydrophobicContact CE1-CG2 3.91Å
208Q94.7Very high92.3Very high23 Ų2343.6 Ų43.611%0.10723%0.234CC..EExtended strand (participates in β ladder)trans-122.2125.9172.3-174.8175.74500110.4R196 K197 T216 F437R196-Q208 PolarHBondContact N-O 3.5Å; K197-Q208 HydrophobicContact CB-CB 3.78Å; K197-Q208 HydrophobicContact CG-CB 4.5Å; K197-Q208 PolarHBondContact N-O 3.1Å; K197-Q208 PolarHBondContact O-N 3.34Å; Q208-T216 WeakPolarHBondContact CA-O 3.25Å; Q208-F437 HydrophobicContact CB-CE1 4.14Å; Q208-F437 HydrophobicContact CB-CZ 4.38Å
209A93.6Very high92.4Very high0 Ų045.5 Ų45.50%024%0.244CC..EExtended strand (participates in β ladder)trans-127.4142-179.900000109.2V189 A194 T215 T216 W218V189-A209 HydrophobicContact CG1-CB 4.33Å; A194-A209 HydrophobicContact CB-CB 4.44Å; A194-A209 VanDerWaalsContact O-CA 3.28Å; A194-A209 WeakPolarHBondContact O-CA 3.46Å; A209-T215 CarbonylContact O-C 3.6Å; A209-T215 WeakPolarHBondContact O-CA 3.33Å; A209-T216 PolarHBondContact N-O 3.03Å; A209-T216 PolarHBondContact O-N 3.35Å; A209-W218 HydrophobicContact CB-CH2 3.48Å; A209-W218 VanDerWaalsContact CB-CH2 3.48Å; A209-W218 HydrophobicContact CB-CZ3 3.54Å
210E92Very high92.3Very high70 Ų7044.3 Ų44.333%0.32724%0.239SC..EExtended strand (participates in β ladder)trans-95.7108.1176.2-172.9176.8172.500110.4A194 R196 Q214A194-E210 VanDerWaalsContact CB-O 3.25Å; A194-E210 WeakPolarHBondContact CB-O 3.48Å; A194-E210 PolarHBondContact O-N 2.83Å; R196-E210 HydrophobicContact CG-CB 4.11Å; R196-E210 IonicContact CZ-OE2 3.88Å; R196-E210 IonicContact NE-OE2 3.68Å; R196-E210 PolarHBondContact NE-OE2 3.26Å; R196-E210 IonicContact NH2-OE2 3.79Å; E210-Q214 WeakPolarHBondContact CA-O 3.16Å
211I89.8Confident92.3Very high4 Ų443.2 Ų43.22%0.02123%0.233CC..EExtended strand (participates in β ladder)trans-110.6118.5178.5-57.5167.8000108.8I148 L151 F185 F188 G213 Q214 L255I148-I211 HydrophobicContact CD1-CG2 4.27Å; L151-I211 HydrophobicContact CD2-CD1 4.15Å; F185-I211 HydrophobicContact CE2-CD1 3.75Å; F185-I211 HydrophobicContact CZ-CD1 3.61Å; F188-I211 HydrophobicContact CE1-CG1 4.38Å; F188-I211 HydrophobicContact CE1-CG2 4.14Å; F188-I211 HydrophobicContact CZ-CG2 4.44Å; I211-G213 PolarHBondContact O-N 3.38Å; I211-Q214 PolarHBondContact N-O 3Å; I211-Q214 PolarHBondContact O-N 2.71Å; I211-L255 HydrophobicContact CG2-CD2 3.73Å
212M85.9Confident92.2Very high105 Ų10544.4 Ų44.452%0.51724%0.235SC..THydrogen-bonded Turntrans52.837.1177.4-64.7-175.976.300110.6F144 M145 I148 Q214F144-M212 HydrophobicContact CD1-CE 4.4Å; F144-M212 HydrophobicContact CD1-SD 3.73Å; F144-M212 HydrophobicContact CE1-SD 3.35Å; F144-M212 WeakPolarHBondContact CE1-SD 3.14Å; M145-M212 HydrophobicContact SD-CB 4.37Å; I148-M212 HydrophobicContact CD1-CB 4.2Å; I148-M212 HydrophobicContact CD1-CG 4.31Å; I148-M212 HydrophobicContact CD1-SD 3.72Å; M212-Q214 VanDerWaalsContact C-N 3.25Å; M212-Q214 PolarHBondContact O-N 3.27Å
213G84.9Confident91.7Very high59 Ų5942.2 Ų42.261%0.60822%0.221SC*.THydrogen-bonded Turntrans92.3-8.6174.200000111.6I211I211-G213 PolarHBondContact O-N 3.38Å
214Q89.3Confident91.3Very high30 Ų3044 Ų4414%0.1422%0.224CC..EExtended strand (participates in β ladder)trans-106.1133.2179.6-173.8171.4-7.800109.9M145 I148 R149 E210 I211 M212M145-Q214 HydrophobicContact CE-CB 4.36Å; M145-Q214 PolarHBondContact O-OE1 3.49Å; I148-Q214 HydrophobicContact CG2-CB 3.89Å; I148-Q214 HydrophobicContact CG2-CG 4.09Å; R149-Q214 VanDerWaalsContact CA-CD 3.43Å; R149-Q214 HydrophobicContact CG-CG 4.42Å; E210-Q214 WeakPolarHBondContact CA-O 3.16Å; I211-Q214 PolarHBondContact N-O 3Å; I211-Q214 PolarHBondContact O-N 2.71Å; M212-Q214 VanDerWaalsContact C-N 3.25Å; M212-Q214 PolarHBondContact O-N 3.27Å
215T92Very high90.3Very high73 Ų7347 Ų4745%0.44825%0.248SC..EExtended strand (participates in β ladder)trans-86.6122.1179.454.20000109.9A209A209-T215 CarbonylContact O-C 3.6Å; A209-T215 WeakPolarHBondContact O-CA 3.33Å
216T93.3Very high89.5Confident0 Ų050.1 Ų50.10%026%0.264CS..EExtended strand (participates in β ladder)trans-113.7120.6-179.3-59.50000108.7L151 E152 L155 Q208 A209 W218L151-T216 HydrophobicContact CD2-CG2 4.49Å; E152-T216 HydrophobicContact CB-CG2 4.28Å; E152-T216 HydrophobicContact CG-CG2 3.25Å; E152-T216 WeakPolarHBondContact OE1-CA 3.15Å; L155-T216 HydrophobicContact CD1-CG2 3.77Å; Q208-T216 WeakPolarHBondContact CA-O 3.25Å; A209-T216 PolarHBondContact N-O 3.03Å; A209-T216 PolarHBondContact O-N 3.35Å; T216-W218 HydrophobicContact CG2-CE3 3.91Å; T216-W218 HydrophobicContact CG2-CZ3 4.3Å; T216-W218 VanDerWaalsContact O-CE3 3.29Å; T216-W218 WeakPolarHBondContact O-CZ3 3.1Å
217T94.3Very high88.4Confident33 Ų3355.3 Ų55.320%0.20229%0.29CS..EExtended strand (participates in β ladder)trans-111.2129.5178.9-55.80000110.4E152 Y207 F437E152-T217 WeakPolarHBondContact CB-O 3.48Å; E152-T217 VanDerWaalsContact CG-O 3.27Å; E152-T217 WeakPolarHBondContact CG-O 3.38Å; E152-T217 PolarHBondContact OE1-N 3.01Å; Y207-T217 WeakPolarHBondContact O-CA 3.25Å; T217-F437 HydrophobicContact CG2-CE1 4.24Å; T217-F437 HydrophobicContact CG2-CZ 4.15Å
218W95.3Very high87.2Confident3 Ų360.1 Ų60.11%0.01131%0.313CS..EExtended strand (participates in β ladder)trans-140.1163.6178.46494.4000109.1L155 F159 F185 V189 Y206 Y207 A209 T216 F356L155-W218 HydrophobicContact CB-CB 3.76Å; L155-W218 HydrophobicContact CB-CG 4.12Å; L155-W218 HydrophobicContact CD1-CB 4.21Å; L155-W218 HydrophobicContact CD1-CD2 3.94Å; L155-W218 HydrophobicContact CD1-CE3 3.78Å; L155-W218 HydrophobicContact CD1-CG 4.16Å; L155-W218 HydrophobicContact CD1-CZ3 4.44Å; F159-W218 AromaticContact CD2-CD1 3.77Å; F159-W218 AromaticContact CE2-CD1 3.43Å; F159-W218 VanDerWaalsContact CE2-CD1 3.43Å; F159-W218 HydrophobicContact CE2-CG 4.34Å; F159-W218 AromaticContact CE2-NE1 3.5Å; F159-W218 AromaticContact CZ-NE1 3.75Å; F185-W218 HydrophobicContact CD1-CZ2 4.48Å; F185-W218 HydrophobicContact CE1-CD2 4.43Å; F185-W218 HydrophobicContact CE1-CE3 4.36Å; F185-W218 AromaticContact CE1-CH2 3.61Å; F185-W218 HydrophobicContact CE1-CH2 3.61Å; F185-W218 AromaticContact CE1-CZ2 3.73Å; F185-W218 HydrophobicContact CE1-CZ2 3.73Å; F185-W218 AromaticContact CE1-CZ3 3.94Å; F185-W218 HydrophobicContact CE1-CZ3 3.94Å; F185-W218 HydrophobicContact CZ-CH2 4.21Å; F185-W218 HydrophobicContact CZ-CZ3 4.2Å; V189-W218 HydrophobicContact CG2-CH2 4.36Å; Y206-W218 WeakPolarHBondContact CA-O 3.47Å; Y207-W218 AromaticContact CD2-NE1 3.63Å; Y207-W218 HydrophobicContact CG-CZ2 4.35Å; Y207-W218 PolarHBondContact N-O 3.37Å; Y207-W218 PolarHBondContact O-N 2.78Å; A209-W218 HydrophobicContact CB-CH2 3.48Å; A209-W218 VanDerWaalsContact CB-CH2 3.48Å; A209-W218 HydrophobicContact CB-CZ3 3.54Å; T216-W218 HydrophobicContact CG2-CE3 3.91Å; T216-W218 HydrophobicContact CG2-CZ3 4.3Å; T216-W218 VanDerWaalsContact O-CE3 3.29Å; T216-W218 WeakPolarHBondContact O-CZ3 3.1Å; W218-F356 HydrophobicContact CZ2-CZ 4.26Å
219I94.5Very high86.3Confident41 Ų4164.1 Ų64.121%0.2134%0.335CS..EExtended strand (participates in β ladder)trans-115.7136.3-176.3-180164.1000108.8C156 K203 V205 Y206C156-I219 HydrophobicContact CB-CG2 4.14Å; K203-I219 HydrophobicContact CB-CD1 3.91Å; V205-I219 WeakPolarHBondContact O-CA 3.35Å; Y206-I219 HydrophobicContact CD1-CB 4.25Å; Y206-I219 HydrophobicContact CD1-CD1 4.49Å; Y206-I219 HydrophobicContact CE1-CB 4.17Å; Y206-I219 HydrophobicContact CE1-CD1 3.82Å; Y206-I219 HydrophobicContact CE1-CG1 4.33Å; Y206-I219 HydrophobicContact CE2-CD1 3.94Å; Y206-I219 VanDerWaalsContact CZ-CD1 3.49Å
220T93.2Very high85.5Confident13 Ų1369.8 Ų69.88%0.0837%0.374CS..EExtended strand (participates in β ladder)trans-114.5120.5174.5-58.20000109.7F159 G204 V205 Y207F159-T220 HydrophobicContact CD1-CG2 3.78Å; F159-T220 HydrophobicContact CE1-CG2 4.27Å; F159-T220 HydrophobicContact CG-CG2 4.43Å; G204-T220 CarbonylContact C-O 3.51Å; G204-T220 VanDerWaalsContact CA-O 3.26Å; G204-T220 WeakPolarHBondContact CA-O 3.09Å; V205-T220 PolarHBondContact N-O 3.37Å; V205-T220 PolarHBondContact O-N 3.36Å; Y207-T220 WeakPolarHBondContact CE2-OG1 3.21Å
221P92.8Very high85.1Confident22 Ų2273.6 Ų73.614%0.14340%0.397CS..EExtended strand (participates in β ladder)trans-65.2152.6-179.123.4-27.6000111.7K163K163-P221 HydrophobicContact CB-CG 4.35Å; K163-P221 HydrophobicContact CG-CG 3.97Å
222H90.1Very high84.8Confident59 Ų5976.7 Ų76.727%0.27342%0.416SS..  trans-69.9154.4177.2-69.3-64.1000110.6S201 G204 R224S201-H222 PolarHBondContact O-NE2 3.05Å; G204-H222 WeakPolarHBondContact CA-NE2 3.44Å; H222-R224 PolarHBondContact O-N 2.81Å
223E81.7Confident84.8Confident118 Ų11875.6 Ų75.655%0.55141%0.412SS*.SBendtrans-72.549.6-175.9-68.7-179.7-179.400110.4K163K163-E223 IonicContact NZ-OE1 3.69Å
224R81.2Confident84.8Confident199 Ų19974.7 Ų74.775%0.75139%0.393SS*.SBendtrans-110.9150173.2-66.7-179-176.4174.90.5109.6H222 I226H222-R224 PolarHBondContact O-N 2.81Å; R224-I226 PolarHBondContact O-N 3.44Å; R224-I226 VanDerWaalsContact O-N 3.1Å
225A72.9Confident84.5Confident63 Ų6375.8 Ų75.852%0.52140%0.404SS..  trans-70.6114.8179.500000110.3K165K165-A225 HydrophobicContact CD-CB 4.48Å
226I76.2Confident84.3Confident73 Ų7374.2 Ų74.237%0.37439%0.394SS..PPolyproline II helixtrans-77.70179.7-61.8170.1000108.9L160 L164 R224L160-I226 HydrophobicContact CD1-CD1 3.58Å; L164-I226 HydrophobicContact CD2-CB 4.4Å; L164-I226 HydrophobicContact CD2-CD1 4.29Å; R224-I226 PolarHBondContact O-N 3.44Å; R224-I226 VanDerWaalsContact O-N 3.1Å
227E74.4Confident84.1Confident169 Ų16976.7 Ų76.779%0.7941%0.406SS*.PPolyproline II helix0137.20-69.6178.7-177.100110.6N229E227-N229 PolarHBondContact O-N 3.32Å
228E68.6Low83.7Confident105 Ų10575.8 Ų75.849%0.49140%0.4SS..PPolyproline II helixtrans-73.6130-178.1-67.7179.2-178.400110.2K167K167-E228 HydrophobicContact CD-CG 3.64Å; K167-E228 CovalentContact CD-OE1 1.56Å; K167-E228 WeakPolarHBondContact CD-OE1 3.23Å; K167-E228 WeakPolarHBondContact CD-OE2 2.91Å; K167-E228 WeakPolarHBondContact CE-OE1 3.3Å; K167-E228 WeakPolarHBondContact CE-OE2 3.39Å; K167-E228 WeakPolarHBondContact CG-OE1 3.31Å; K167-E228 CovalentContact NZ-CD 0.58Å; K167-E228 CovalentContact NZ-CG 1.33Å; K167-E228 IonicContact NZ-OE1 3.3Å; K167-E228 PolarHBondContact NZ-OE1 3.38Å; K167-E228 IonicContact NZ-OE2 3.99Å; K167-E228 PolarHBondContact NZ-OE2 2.73Å
229N76.6Confident83.3Confident107 Ų10776.7 Ų76.757%0.57241%0.406SS*.PPolyproline II helixtrans-100.4119.9172.1-68.6-20.7000110.5E227 D231 V232E227-N229 PolarHBondContact O-N 3.32Å; N229-D231 PolarHBondContact O-N 2.76Å; N229-D231 VanDerWaalsContact O-N 3.15Å; N229-V232 HydrophobicContact CB-CG2 4.4Å; N229-V232 PolarHBondContact O-N 1.97Å
230S75.6Confident83.1Confident119 Ų11977.5 Ų77.583%0.83241%0.408SS*.THydrogen-bonded Turntrans-65.2-4.1-179.454.90000110.9V232S230-V232 PolarHBondContact O-N 2.68Å
231D84.2Confident82.9Confident151 Ų15176.9 Ų76.981%0.80741%0.405SS*.THydrogen-bonded Turntrans-85.3-9.8-175.8-72.8-18.2000111.3N229N229-D231 PolarHBondContact O-N 2.76Å; N229-D231 VanDerWaalsContact O-N 3.15Å
232V84Confident82.5Confident68 Ų6877 Ų7741%0.41240%0.404SS..SBendtrans-101.4130-174.5178.70000108.8N229 S230 M234 M237N229-V232 HydrophobicContact CB-CG2 4.4Å; N229-V232 PolarHBondContact O-N 1.97Å; S230-V232 PolarHBondContact O-N 2.68Å; V232-M234 HydrophobicContact CB-CE 4.47Å; V232-M234 HydrophobicContact CG1-SD 4.48Å; V232-M234 PolarHBondContact O-N 3.33Å; V232-M237 HydrophobicContact CG1-CG 4.13Å
233D85.7Confident82.3Confident83 Ų8374.2 Ų74.244%0.44439%0.391SS..  trans-75.2107.4176.9-166.4-5.7000110.7R33 S235 V236 M237R33-D233 IonicContact NH1-OD2 3.16Å; D233-S235 PolarHBondContact O-N 2.84Å; D233-S235 PolarHBondContact OD1-N 3.19Å; D233-V236 HydrophobicContact CB-CG2 4.44Å; D233-V236 WeakPolarHBondContact OD2-CG2 3.48Å; D233-M237 WeakPolarHBondContact O-CG 3.45Å; D233-M237 PolarHBondContact O-N 3.41Å
234M84.5Confident82.7Confident40 Ų4069.7 Ų69.720%0.19737%0.369CS..Hα-helixtrans-77.2-23.4-174-67.2-59.5-177.700110.1V232 V236 M237 V238V232-M234 HydrophobicContact CB-CE 4.47Å; V232-M234 HydrophobicContact CG1-SD 4.48Å; V232-M234 PolarHBondContact O-N 3.33Å; M234-V236 VanDerWaalsContact C-N 3.29Å; M234-V236 PolarHBondContact O-N 2.83Å; M234-M237 PolarHBondContact O-N 3.46Å; M234-M237 VanDerWaalsContact O-N 3.12Å; M234-V238 WeakPolarHBondContact O-CB 3.41Å; M234-V238 WeakPolarHBondContact O-CG2 3.49Å; M234-V238 PolarHBondContact O-N 2.93Å
235S83.8Confident83Confident53 Ų5361 Ų6137%0.37134%0.337SS..Hα-helixtrans-62.8-45.5-179.5177.80000111.2D233 M237 V238 T239D233-S235 PolarHBondContact O-N 2.84Å; D233-S235 PolarHBondContact OD1-N 3.19Å; S235-M237 PolarHBondContact O-N 3.36Å; S235-V238 PolarHBondContact O-N 3.46Å; S235-T239 PolarHBondContact O-N 2.87Å; S235-T239 VanDerWaalsContact O-N 3.12Å; S235-T239 PolarHBondContact O-OG1 3.43Å; S235-T239 VanDerWaalsContact O-OG1 3.07Å
236V88.1Confident83.5Confident40 Ų4059 Ų5924%0.24232%0.319CS..Hα-helixtrans-66.9-34.6179.4175.10000109.6I37 D233 M234 V238 T239 F240I37-V236 HydrophobicContact CD1-CG1 3.71Å; D233-V236 HydrophobicContact CB-CG2 4.44Å; D233-V236 WeakPolarHBondContact OD2-CG2 3.48Å; M234-V236 VanDerWaalsContact C-N 3.29Å; M234-V236 PolarHBondContact O-N 2.83Å; V236-V238 PolarHBondContact O-N 3.33Å; V236-T239 WeakPolarHBondContact O-CB 2.9Å; V236-T239 PolarHBondContact O-N 2.84Å; V236-T239 VanDerWaalsContact O-N 3.14Å; V236-F240 HydrophobicContact CG1-CD2 3.75Å; V236-F240 HydrophobicContact CG1-CE2 3.6Å; V236-F240 VanDerWaalsContact O-CD2 3.26Å; V236-F240 WeakPolarHBondContact O-CD2 3.48Å; V236-F240 PolarHBondContact O-N 3.27Å
237M87.7Confident84.1Confident51 Ų5155.6 Ų55.625%0.25130%0.301SS..Hα-helixtrans-68.2-34.3-179.4-69.8-62.9-65.100111L157 F161 V232 D233 M234 S235 T239 F240 A241L157-M237 HydrophobicContact CD1-CE 2.95Å; L157-M237 HydrophobicContact CD1-SD 4.48Å; L157-M237 HydrophobicContact CG-CE 4.35Å; F161-M237 HydrophobicContact CE2-CB 4.37Å; F161-M237 HydrophobicContact CE2-CE 3.93Å; F161-M237 HydrophobicContact CZ-CB 3.7Å; F161-M237 HydrophobicContact CZ-CE 4.28Å; V232-M237 HydrophobicContact CG1-CG 4.13Å; D233-M237 WeakPolarHBondContact O-CG 3.45Å; D233-M237 PolarHBondContact O-N 3.41Å; M234-M237 PolarHBondContact O-N 3.46Å; M234-M237 VanDerWaalsContact O-N 3.12Å; S235-M237 PolarHBondContact O-N 3.36Å; M237-T239 PolarHBondContact O-N 3.36Å; M237-F240 WeakPolarHBondContact O-CB 3.5Å; M237-F240 PolarHBondContact O-N 3.12Å; M237-F240 VanDerWaalsContact O-N 3.16Å; M237-A241 WeakPolarHBondContact O-CB 3.08Å; M237-A241 PolarHBondContact O-N 3.17Å
238V87.4Confident84.7Confident14 Ų1447.6 Ų47.69%0.08526%0.264CS..Hα-helixtrans-69.1-37.5-178.7169.30000109.1I170 I174 M234 S235 V236 F240 A241 D242I170-V238 HydrophobicContact CG1-CG2 4.26Å; I174-V238 HydrophobicContact CD1-CB 4.26Å; I174-V238 HydrophobicContact CD1-CG1 3.17Å; I174-V238 HydrophobicContact CD1-CG2 4.48Å; M234-V238 WeakPolarHBondContact O-CB 3.41Å; M234-V238 WeakPolarHBondContact O-CG2 3.49Å; M234-V238 PolarHBondContact O-N 2.93Å; S235-V238 PolarHBondContact O-N 3.46Å; V236-V238 PolarHBondContact O-N 3.33Å; V238-F240 PolarHBondContact O-N 3.19Å; V238-A241 PolarHBondContact O-N 3.39Å; V238-D242 VanDerWaalsContact O-CB 3.3Å; V238-D242 WeakPolarHBondContact O-CB 3.11Å; V238-D242 PolarHBondContact O-N 3.34Å
239T85.5Confident85.6Confident22 Ų2243.2 Ų43.214%0.13525%0.247CC..Hα-helixtrans-64.2-39.3178.3-580000110.5R34 I37 S235 V236 M237 A241 D242 F243R34-T239 HydrophobicContact CB-CG2 3.91Å; R34-T239 HydrophobicContact CG-CG2 3.38Å; I37-T239 HydrophobicContact CB-CG2 4.2Å; I37-T239 HydrophobicContact CD1-CG2 3.81Å; I37-T239 HydrophobicContact CG2-CG2 4.33Å; S235-T239 PolarHBondContact O-N 2.87Å; S235-T239 VanDerWaalsContact O-N 3.12Å; S235-T239 PolarHBondContact O-OG1 3.43Å; S235-T239 VanDerWaalsContact O-OG1 3.07Å; V236-T239 WeakPolarHBondContact O-CB 2.9Å; V236-T239 PolarHBondContact O-N 2.84Å; V236-T239 VanDerWaalsContact O-N 3.14Å; M237-T239 PolarHBondContact O-N 3.36Å; T239-A241 VanDerWaalsContact C-N 3.3Å; T239-D242 WeakPolarHBondContact O-CB 3.4Å; T239-D242 PolarHBondContact O-N 2.32Å; T239-F243 PolarHBondContact O-N 3.17Å
240F89.9Confident86Confident58 Ų5842.4 Ų42.425%0.25424%0.239SC..Hα-helixtrans-66-43.2176.8-89.2-78.2000110.8I37 L157 V236 M237 V238 D242 F243 Y244I37-F240 HydrophobicContact CB-CE1 4.44Å; I37-F240 HydrophobicContact CB-CE2 4.48Å; I37-F240 HydrophobicContact CB-CZ 4.27Å; I37-F240 HydrophobicContact CD1-CD2 3.7Å; I37-F240 HydrophobicContact CD1-CE2 3.44Å; I37-F240 VanDerWaalsContact CD1-CE2 3.44Å; I37-F240 HydrophobicContact CD1-CG 4.47Å; I37-F240 HydrophobicContact CD1-CZ 4.05Å; I37-F240 HydrophobicContact CG1-CD2 4.32Å; I37-F240 HydrophobicContact CG1-CE1 4.42Å; I37-F240 HydrophobicContact CG1-CE2 3.7Å; I37-F240 HydrophobicContact CG1-CZ 3.76Å; I37-F240 HydrophobicContact CG2-CD1 3.47Å; I37-F240 VanDerWaalsContact CG2-CD1 3.47Å; I37-F240 HydrophobicContact CG2-CD2 4.02Å; I37-F240 HydrophobicContact CG2-CE1 3.37Å; I37-F240 HydrophobicContact CG2-CE2 3.94Å; I37-F240 HydrophobicContact CG2-CG 3.78Å; I37-F240 HydrophobicContact CG2-CZ 3.62Å; L157-F240 HydrophobicContact CD2-CB 3.7Å; V236-F240 HydrophobicContact CG1-CD2 3.75Å; V236-F240 HydrophobicContact CG1-CE2 3.6Å; V236-F240 VanDerWaalsContact O-CD2 3.26Å; V236-F240 WeakPolarHBondContact O-CD2 3.48Å; V236-F240 PolarHBondContact O-N 3.27Å; M237-F240 WeakPolarHBondContact O-CB 3.5Å; M237-F240 PolarHBondContact O-N 3.12Å; M237-F240 VanDerWaalsContact O-N 3.16Å; V238-F240 PolarHBondContact O-N 3.19Å; F240-D242 PolarHBondContact O-N 2.93Å; F240-F243 WeakPolarHBondContact O-CB 3.44Å; F240-F243 PolarHBondContact O-N 3.16Å; F240-F243 VanDerWaalsContact O-N 3.12Å; F240-Y244 HydrophobicContact CB-CD2 4.44Å; F240-Y244 HydrophobicContact CB-CE2 4.24Å; F240-Y244 HydrophobicContact CD1-CE2 4.03Å; F240-Y244 WeakPolarHBondContact O-CB 3.31Å; F240-Y244 VanDerWaalsContact O-CD2 3.29Å; F240-Y244 WeakPolarHBondContact O-CD2 3.12Å; F240-Y244 PolarHBondContact O-N 2.73Å
241A89.4Confident86.7Confident0 Ų036.8 Ų36.80%020%0.199CC..Hα-helixtrans-60.7-38.2-179.700000111.3L157 F161 I174 M237 V238 T239 F243 Y244 I245L157-A241 HydrophobicContact CD2-CB 4.28Å; F161-A241 HydrophobicContact CD1-CB 4.47Å; F161-A241 HydrophobicContact CD2-CB 4.02Å; F161-A241 HydrophobicContact CE1-CB 4.28Å; F161-A241 HydrophobicContact CE2-CB 3.78Å; F161-A241 HydrophobicContact CG-CB 4.34Å; F161-A241 HydrophobicContact CZ-CB 3.95Å; I174-A241 HydrophobicContact CG2-CB 3.85Å; M237-A241 WeakPolarHBondContact O-CB 3.08Å; M237-A241 PolarHBondContact O-N 3.17Å; V238-A241 PolarHBondContact O-N 3.39Å; T239-A241 VanDerWaalsContact C-N 3.3Å; A241-F243 PolarHBondContact O-N 3.1Å; A241-Y244 PolarHBondContact O-N 2.91Å; A241-I245 WeakPolarHBondContact O-CB 3.41Å; A241-I245 WeakPolarHBondContact O-CD1 3.33Å; A241-I245 WeakPolarHBondContact O-CG1 3.3Å; A241-I245 PolarHBondContact O-N 2.9Å
242D84.2Confident87Confident25 Ų2529.7 Ų29.713%0.13416%0.161CC..Hα-helixtrans-64.7-44.4179.5-162.210.8000110.5R34 F130 V238 T239 F240 Y244 I245 T246R34-D242 IonicContact NH2-OD2 2.41Å; F130-D242 VanDerWaalsContact O-OD2 3.05Å; V238-D242 VanDerWaalsContact O-CB 3.3Å; V238-D242 WeakPolarHBondContact O-CB 3.11Å; V238-D242 PolarHBondContact O-N 3.34Å; T239-D242 WeakPolarHBondContact O-CB 3.4Å; T239-D242 PolarHBondContact O-N 2.32Å; F240-D242 PolarHBondContact O-N 2.93Å; D242-Y244 VanDerWaalsContact C-N 3.25Å; D242-Y244 PolarHBondContact O-N 3.25Å; D242-I245 PolarHBondContact O-N 2.59Å; D242-T246 PolarHBondContact O-N 3.32Å
243F86.1Confident87.2Confident0 Ų029.6 Ų29.60%016%0.156CC..Hα-helixtrans-61.6-43.3178.4169-107.1000110.6I132 F137 Y141 T239 F240 A241 I245 T246 F247I132-F243 HydrophobicContact CD1-CB 3.61Å; I132-F243 HydrophobicContact CD1-CD2 3.37Å; I132-F243 HydrophobicContact CD1-CE2 4.46Å; I132-F243 HydrophobicContact CD1-CG 3.96Å; F137-F243 AromaticContact CD1-CE2 3.81Å; F137-F243 HydrophobicContact CD1-CE2 3.81Å; F137-F243 HydrophobicContact CD1-CZ 4.06Å; F137-F243 AromaticContact CE1-CD2 3.8Å; F137-F243 HydrophobicContact CE1-CD2 3.8Å; F137-F243 AromaticContact CE1-CE2 3.22Å; F137-F243 HydrophobicContact CE1-CE2 3.22Å; F137-F243 AromaticContact CE1-CZ 3.65Å; F137-F243 HydrophobicContact CE1-CZ 3.65Å; F137-F243 HydrophobicContact CZ-CD2 4.25Å; F137-F243 HydrophobicContact CZ-CE2 4.07Å; Y141-F243 HydrophobicContact CE2-CZ 4.33Å; T239-F243 PolarHBondContact O-N 3.17Å; F240-F243 WeakPolarHBondContact O-CB 3.44Å; F240-F243 PolarHBondContact O-N 3.16Å; F240-F243 VanDerWaalsContact O-N 3.12Å; A241-F243 PolarHBondContact O-N 3.1Å; F243-I245 VanDerWaalsContact C-N 3.31Å; F243-I245 PolarHBondContact O-N 3.48Å; F243-T246 PolarHBondContact O-N 3.39Å; F243-T246 PolarHBondContact O-OG1 3.3Å; F243-F247 WeakPolarHBondContact O-CB 3.35Å; F243-F247 PolarHBondContact O-N 3.44Å
244Y90.6Very high87.3Confident23 Ų2330.8 Ų30.89%0.0915%0.154CC..Hα-helixtrans-72.2-30-175.9-75.3-35.6000111.2A154 L157 F240 A241 D242 T246 F247 M248A154-Y244 HydrophobicContact CB-CD1 3.57Å; A154-Y244 HydrophobicContact CB-CD2 4.49Å; A154-Y244 HydrophobicContact CB-CE1 4.11Å; A154-Y244 HydrophobicContact CB-CG 3.81Å; L157-Y244 HydrophobicContact CB-CD2 3.95Å; L157-Y244 HydrophobicContact CB-CE2 4.27Å; L157-Y244 HydrophobicContact CD2-CD2 3.08Å; L157-Y244 HydrophobicContact CD2-CE2 3.44Å; L157-Y244 VanDerWaalsContact CD2-CE2 3.44Å; L157-Y244 HydrophobicContact CD2-CG 4.31Å; L157-Y244 HydrophobicContact CG-CD2 4.13Å; F240-Y244 HydrophobicContact CB-CD2 4.44Å; F240-Y244 HydrophobicContact CB-CE2 4.24Å; F240-Y244 HydrophobicContact CD1-CE2 4.03Å; F240-Y244 WeakPolarHBondContact O-CB 3.31Å; F240-Y244 VanDerWaalsContact O-CD2 3.29Å; F240-Y244 WeakPolarHBondContact O-CD2 3.12Å; F240-Y244 PolarHBondContact O-N 2.73Å; A241-Y244 PolarHBondContact O-N 2.91Å; D242-Y244 VanDerWaalsContact C-N 3.25Å; D242-Y244 PolarHBondContact O-N 3.25Å; Y244-T246 VanDerWaalsContact C-N 3.26Å; Y244-T246 PolarHBondContact O-N 3.12Å; Y244-F247 HydrophobicContact CD1-CD1 4.47Å; Y244-F247 PolarHBondContact O-N 3.23Å; Y244-M248 VanDerWaalsContact O-CB 3.26Å; Y244-M248 WeakPolarHBondContact O-CB 3.42Å; Y244-M248 WeakPolarHBondContact O-CG 3.47Å; Y244-M248 PolarHBondContact O-N 2.9Å
245I88.2Confident87.6Confident16 Ų1629 Ų298%0.08215%0.145CC..Hα-helixtrans-62.6-44.5178.3-73.3171.9000109.5I174 M177 L181 A241 D242 F243 F247 G249I174-I245 HydrophobicContact CB-CD1 4.32Å; I174-I245 HydrophobicContact CG2-CD1 3.74Å; M177-I245 HydrophobicContact CB-CD1 4.09Å; M177-I245 HydrophobicContact CB-CG2 4.04Å; L181-I245 HydrophobicContact CD1-CB 4Å; L181-I245 HydrophobicContact CD1-CG1 4.33Å; L181-I245 HydrophobicContact CD1-CG2 3.45Å; L181-I245 VanDerWaalsContact CD1-CG2 3.45Å; L181-I245 WeakPolarHBondContact CD1-O 2.87Å; A241-I245 WeakPolarHBondContact O-CB 3.41Å; A241-I245 WeakPolarHBondContact O-CD1 3.33Å; A241-I245 WeakPolarHBondContact O-CG1 3.3Å; A241-I245 PolarHBondContact O-N 2.9Å; D242-I245 PolarHBondContact O-N 2.59Å; F243-I245 VanDerWaalsContact C-N 3.31Å; F243-I245 PolarHBondContact O-N 3.48Å; I245-F247 VanDerWaalsContact C-N 3.29Å; I245-G249 PolarHBondContact O-N 3.29Å
246T83.3Confident87.9Confident21 Ų2126.5 Ų26.513%0.12913%0.128CC..Hα-helixtrans-68.4-38.8178.652.70000110.4M131 I132 F137 D242 F243 Y244 G249 F250M131-T246 HydrophobicContact CG-CG2 4.26Å; I132-T246 HydrophobicContact CB-CG2 4.35Å; F137-T246 WeakPolarHBondContact CZ-OG1 3.11Å; D242-T246 PolarHBondContact O-N 3.32Å; F243-T246 PolarHBondContact O-N 3.39Å; F243-T246 PolarHBondContact O-OG1 3.3Å; Y244-T246 VanDerWaalsContact C-N 3.26Å; Y244-T246 PolarHBondContact O-N 3.12Å; T246-G249 PolarHBondContact O-N 3.31Å; T246-F250 PolarHBondContact O-N 3.48Å; T246-F250 VanDerWaalsContact O-N 3.17Å
247F87.5Confident87.9Confident2 Ų230.6 Ų30.61%0.00914%0.142CC..Hα-helixtrans-63.6-47.2179.7170-114.5000110.3F137 Y141 A147 L151 A154 F243 Y244 I245 G249 F250 V251F137-F247 HydrophobicContact CD1-CB 4.24Å; F137-F247 HydrophobicContact CD1-CD2 4.03Å; F137-F247 HydrophobicContact CE1-CB 3.47Å; F137-F247 VanDerWaalsContact CE1-CB 3.47Å; F137-F247 HydrophobicContact CE1-CD2 4.13Å; F137-F247 HydrophobicContact CE1-CG 4.27Å; F137-F247 HydrophobicContact CZ-CB 3.93Å; F137-F247 VanDerWaalsContact CZ-N 3.34Å; Y141-F247 HydrophobicContact CD2-CD2 4.37Å; Y141-F247 HydrophobicContact CD2-CE2 4Å; Y141-F247 HydrophobicContact CE2-CD2 4.07Å; Y141-F247 AromaticContact CE2-CE2 3.82Å; Y141-F247 HydrophobicContact CE2-CE2 3.82Å; A147-F247 HydrophobicContact CB-CE2 3.67Å; A147-F247 HydrophobicContact CB-CZ 3.92Å; A147-F247 WeakPolarHBondContact O-CZ 3.45Å; L151-F247 HydrophobicContact CD1-CE1 3.89Å; A154-F247 HydrophobicContact CB-CD1 3.72Å; A154-F247 HydrophobicContact CB-CE1 3.93Å; F243-F247 WeakPolarHBondContact O-CB 3.35Å; F243-F247 PolarHBondContact O-N 3.44Å; Y244-F247 HydrophobicContact CD1-CD1 4.47Å; Y244-F247 PolarHBondContact O-N 3.23Å; I245-F247 VanDerWaalsContact C-N 3.29Å; F247-G249 PolarHBondContact O-N 3.27Å; F247-F250 PolarHBondContact O-N 3.49Å; F247-V251 HydrophobicContact CD1-CG2 4.47Å; F247-V251 HydrophobicContact CD2-CG2 4.12Å; F247-V251 HydrophobicContact CE1-CG2 4.1Å; F247-V251 HydrophobicContact CE2-CG2 3.71Å; F247-V251 HydrophobicContact CG-CG2 4.48Å; F247-V251 HydrophobicContact CZ-CG2 3.7Å; F247-V251 VanDerWaalsContact O-CG2 3.27Å; F247-V251 WeakPolarHBondContact O-CG2 3.46Å; F247-V251 PolarHBondContact O-N 2.87Å
248M88.4Confident88Confident1 Ų132.1 Ų32.11%0.00515%0.151CC..Hα-helixtrans-64.9-37179.8-80.6-159.5-52.900111.3A154 L155 C158 L181 Y244 F250 V251 N252A154-M248 HydrophobicContact CB-CG 4.05Å; L155-M248 HydrophobicContact CD2-SD 3.98Å; C158-M248 HydrophobicContact CB-CE 3.05Å; C158-M248 HydrophobicContact CB-SD 3.69Å; C158-M248 CovalentContact SG-CE 2.23Å; C158-M248 WeakPolarHBondContact SG-CE 3.21Å; C158-M248 PolarHBondContact SG-SD 3.22Å; L181-M248 HydrophobicContact CB-CE 3.69Å; L181-M248 HydrophobicContact CD1-CB 4.06Å; L181-M248 HydrophobicContact CD1-CE 3.82Å; L181-M248 HydrophobicContact CG-CE 4.43Å; Y244-M248 VanDerWaalsContact O-CB 3.26Å; Y244-M248 WeakPolarHBondContact O-CB 3.42Å; Y244-M248 WeakPolarHBondContact O-CG 3.47Å; Y244-M248 PolarHBondContact O-N 2.9Å; M248-F250 VanDerWaalsContact C-N 3.25Å; M248-F250 PolarHBondContact O-N 3.13Å; M248-V251 PolarHBondContact O-N 3.34Å; M248-N252 VanDerWaalsContact O-CB 3.31Å; M248-N252 WeakPolarHBondContact O-CB 3.48Å; M248-N252 PolarHBondContact O-N 2.95Å
249G86.8Confident88Confident14 Ų1433.5 Ų33.514%0.14417%0.165CC..Hα-helixtrans-57.5-42.2176.200000111.8I245 T246 F247 F253 Y263I245-G249 PolarHBondContact O-N 3.29Å; T246-G249 PolarHBondContact O-N 3.31Å; F247-G249 PolarHBondContact O-N 3.27Å; G249-F253 WeakPolarHBondContact O-CB 3.46Å; G249-F253 PolarHBondContact O-N 2.88Å; G249-Y263 PolarHBondContact O-OH 3.07Å
250F86.1Confident88Confident90 Ų9033 Ų3340%0.39516%0.163SC..Hα-helixtrans-70.2-41.3-179.6176.4-102.5000110.6T246 F247 M248 N252 F253 R254T246-F250 PolarHBondContact O-N 3.48Å; T246-F250 VanDerWaalsContact O-N 3.17Å; F247-F250 PolarHBondContact O-N 3.49Å; M248-F250 VanDerWaalsContact C-N 3.25Å; M248-F250 PolarHBondContact O-N 3.13Å; F250-N252 VanDerWaalsContact C-N 3.33Å; F250-F253 WeakPolarHBondContact O-CB 3.32Å; F250-F253 PolarHBondContact O-N 3.37Å; F250-R254 PolarHBondContact O-N 3.18Å
251V89.4Confident87.7Confident0 Ų030.5 Ų30.50%015%0.153CC..Hα-helixtrans-66.6-44.6-178.1171.60000109.7F144 L151 F247 M248 F253 R254 L255F144-V251 HydrophobicContact CE2-CG1 4.41Å; F144-V251 HydrophobicContact CZ-CG1 4.36Å; L151-V251 HydrophobicContact CD1-CB 4.49Å; L151-V251 HydrophobicContact CD1-CG1 4.15Å; L151-V251 HydrophobicContact CD1-CG2 4.47Å; L151-V251 HydrophobicContact CD2-CG1 4.27Å; F247-V251 HydrophobicContact CD1-CG2 4.47Å; F247-V251 HydrophobicContact CD2-CG2 4.12Å; F247-V251 HydrophobicContact CE1-CG2 4.1Å; F247-V251 HydrophobicContact CE2-CG2 3.71Å; F247-V251 HydrophobicContact CG-CG2 4.48Å; F247-V251 HydrophobicContact CZ-CG2 3.7Å; F247-V251 VanDerWaalsContact O-CG2 3.27Å; F247-V251 WeakPolarHBondContact O-CG2 3.46Å; F247-V251 PolarHBondContact O-N 2.87Å; M248-V251 PolarHBondContact O-N 3.34Å; V251-F253 PolarHBondContact O-N 3.01Å; V251-R254 PolarHBondContact O-N 3.41Å; V251-L255 HydrophobicContact CG1-CD1 3.62Å; V251-L255 HydrophobicContact CG1-CG 3.99Å; V251-L255 WeakPolarHBondContact O-CB 3.39Å; V251-L255 WeakPolarHBondContact O-CG 3.4Å; V251-L255 PolarHBondContact O-N 3.24Å
252N90.2Very high87.3Confident2 Ų234 Ų341%0.01117%0.168CC..Hα-helixtrans-61.8-40178.9-79.6-10.6000111.9L181 M248 F250 R254 L255 Y256 Y263L181-N252 PolarHBondContact O-ND2 3.18Å; M248-N252 VanDerWaalsContact O-CB 3.31Å; M248-N252 WeakPolarHBondContact O-CB 3.48Å; M248-N252 PolarHBondContact O-N 2.95Å; F250-N252 VanDerWaalsContact C-N 3.33Å; N252-R254 PolarHBondContact O-N 3.41Å; N252-L255 PolarHBondContact O-N 3.49Å; N252-Y256 HydrophobicContact CB-CD2 4.37Å; N252-Y256 HydrophobicContact CB-CE2 4.43Å; N252-Y256 WeakPolarHBondContact O-CB 3.1Å; N252-Y256 WeakPolarHBondContact O-CD2 2.87Å; N252-Y256 PolarHBondContact O-N 3.43Å; N252-Y263 HydrophobicContact CB-CE2 4.07Å
253F88Confident87.2Confident67 Ų6736 Ų3629%0.29417%0.174SC..Hα-helixtrans-59.2-46.4179.3173.9-105000110.7I117 G249 F250 V251 L255 Y256 K257 Y263I117-F253 HydrophobicContact CD1-CZ 4.36Å; G249-F253 WeakPolarHBondContact O-CB 3.46Å; G249-F253 PolarHBondContact O-N 2.88Å; F250-F253 WeakPolarHBondContact O-CB 3.32Å; F250-F253 PolarHBondContact O-N 3.37Å; V251-F253 PolarHBondContact O-N 3.01Å; F253-L255 VanDerWaalsContact C-N 3.34Å; F253-Y256 PolarHBondContact O-N 3.19Å; F253-K257 WeakPolarHBondContact O-CB 3.4Å; F253-K257 PolarHBondContact O-N 3.31Å; F253-Y263 HydrophobicContact CB-CD1 4.06Å; F253-Y263 HydrophobicContact CB-CE1 3.96Å; F253-Y263 HydrophobicContact CB-CG 4.39Å; F253-Y263 AromaticContact CD2-CD1 3.17Å; F253-Y263 HydrophobicContact CD2-CD1 3.17Å; F253-Y263 AromaticContact CD2-CE1 3.78Å; F253-Y263 HydrophobicContact CD2-CE1 3.78Å; F253-Y263 AromaticContact CD2-CG 3.72Å; F253-Y263 HydrophobicContact CD2-CG 3.72Å; F253-Y263 HydrophobicContact CE2-CD1 4.04Å; F253-Y263 HydrophobicContact CG-CD1 4.08Å; F253-Y263 HydrophobicContact CG-CE1 4.34Å
254R88.5Confident86.8Confident107 Ų10739.9 Ų39.940%0.40420%0.199SC..Hα-helixtrans-68.3-41.4-178.9-179.467.6176.2178.10.3110.6F144 F250 V251 N252 Y256 K257 D258F144-R254 HydrophobicContact CD2-CB 4.41Å; F144-R254 HydrophobicContact CD2-CG 3.98Å; F144-R254 HydrophobicContact CE1-CG 4.27Å; F144-R254 HydrophobicContact CE2-CB 3.7Å; F144-R254 HydrophobicContact CE2-CG 3.6Å; F144-R254 HydrophobicContact CG-CG 4.47Å; F144-R254 HydrophobicContact CZ-CB 4.04Å; F144-R254 HydrophobicContact CZ-CG 3.77Å; F250-R254 PolarHBondContact O-N 3.18Å; V251-R254 PolarHBondContact O-N 3.41Å; N252-R254 PolarHBondContact O-N 3.41Å; R254-Y256 PolarHBondContact O-N 2.92Å; R254-K257 PolarHBondContact O-N 3.12Å; R254-D258 IonicContact CZ-OD1 2.57Å; R254-D258 IonicContact NE-OD1 3.63Å; R254-D258 IonicContact NE-OD2 3.41Å; R254-D258 WeakPolarHBondContact O-CB 3.25Å; R254-D258 VanDerWaalsContact O-CG 3.31Å; R254-D258 PolarHBondContact O-N 2.92Å
255L90.5Very high86.2Confident3 Ų339.4 Ų39.42%0.01620%0.199CC..Hα-helixtrans-62.2-38.8179.9-72.6177.8000111.4F144 F185 F188 I211 V251 N252 F253 K257 D258 A259F144-L255 HydrophobicContact CE1-CD2 4.11Å; F144-L255 HydrophobicContact CZ-CD2 3.84Å; F144-L255 HydrophobicContact CZ-CG 4.11Å; F185-L255 HydrophobicContact CD2-CD1 4.49Å; F185-L255 HydrophobicContact CE2-CD1 4.3Å; F188-L255 HydrophobicContact CD1-CB 4.46Å; F188-L255 HydrophobicContact CD1-CD1 3.97Å; F188-L255 HydrophobicContact CD2-CB 3.86Å; F188-L255 HydrophobicContact CE1-CB 4.17Å; F188-L255 HydrophobicContact CE1-CD1 3.72Å; F188-L255 HydrophobicContact CE1-CD2 4.04Å; F188-L255 HydrophobicContact CE1-CG 4.2Å; F188-L255 HydrophobicContact CE2-CB 3.51Å; F188-L255 HydrophobicContact CE2-CD2 4.29Å; F188-L255 HydrophobicContact CE2-CG 4.35Å; F188-L255 WeakPolarHBondContact CE2-O 3.44Å; F188-L255 HydrophobicContact CG-CB 4.32Å; F188-L255 HydrophobicContact CZ-CB 3.68Å; F188-L255 HydrophobicContact CZ-CD1 4.06Å; F188-L255 HydrophobicContact CZ-CD2 3.63Å; F188-L255 HydrophobicContact CZ-CG 4.01Å; I211-L255 HydrophobicContact CG2-CD2 3.73Å; V251-L255 HydrophobicContact CG1-CD1 3.62Å; V251-L255 HydrophobicContact CG1-CG 3.99Å; V251-L255 WeakPolarHBondContact O-CB 3.39Å; V251-L255 WeakPolarHBondContact O-CG 3.4Å; V251-L255 PolarHBondContact O-N 3.24Å; N252-L255 PolarHBondContact O-N 3.49Å; F253-L255 VanDerWaalsContact C-N 3.34Å; L255-K257 VanDerWaalsContact C-N 3.3Å; L255-D258 PolarHBondContact O-N 3.34Å; L255-A259 WeakPolarHBondContact O-CB 3.46Å; L255-A259 PolarHBondContact O-N 3.18Å
256Y89.6Confident85.5Confident0 Ų044.7 Ų44.70%022%0.222CC..Hα-helixtrans-71.1-39.5-178.9-90.5-105.6000110.3E184 F188 N252 F253 R254 D258 A259 G260 L261 F262 Y263 P265 L296E184-Y256 VanDerWaalsContact C-OH 3.24Å; E184-Y256 WeakPolarHBondContact CA-OH 3.33Å; E184-Y256 HydrophobicContact CB-CE2 4.42Å; E184-Y256 PolarHBondContact O-OH 2.86Å; F188-Y256 HydrophobicContact CB-CE2 3.87Å; N252-Y256 HydrophobicContact CB-CD2 4.37Å; N252-Y256 HydrophobicContact CB-CE2 4.43Å; N252-Y256 WeakPolarHBondContact O-CB 3.1Å; N252-Y256 WeakPolarHBondContact O-CD2 2.87Å; N252-Y256 PolarHBondContact O-N 3.43Å; F253-Y256 PolarHBondContact O-N 3.19Å; R254-Y256 PolarHBondContact O-N 2.92Å; Y256-D258 PolarHBondContact O-N 3.43Å; Y256-A259 CarbonylContact O-C 3.57Å; Y256-A259 PolarHBondContact O-N 3.44Å; Y256-G260 PolarHBondContact O-N 3.21Å; Y256-L261 HydrophobicContact CD1-CB 3.47Å; Y256-L261 VanDerWaalsContact CD1-CB 3.47Å; Y256-L261 HydrophobicContact CD1-CD1 4Å; Y256-L261 HydrophobicContact CD1-CG 4.41Å; Y256-L261 HydrophobicContact CE1-CB 4.17Å; Y256-L261 HydrophobicContact CE1-CD1 4.16Å; Y256-L261 HydrophobicContact CG-CB 4.29Å; Y256-L261 PolarHBondContact O-N 3.06Å; Y256-F262 WeakPolarHBondContact CD1-O 3.33Å; Y256-Y263 HydrophobicContact CD2-CD2 4.34Å; Y256-Y263 HydrophobicContact CG-CD2 4.3Å; Y256-P265 HydrophobicContact CE1-CB 4.2Å; Y256-L296 HydrophobicContact CE1-CD1 4.01Å
257K89.3Confident84.6Confident127 Ų12743.9 Ų43.955%0.55222%0.216SC*.Hα-helixtrans-63.8-39.6178.6-171.9177.1176.9178.90110.7F253 R254 L255 A259 G260F253-K257 WeakPolarHBondContact O-CB 3.4Å; F253-K257 PolarHBondContact O-N 3.31Å; R254-K257 PolarHBondContact O-N 3.12Å; L255-K257 VanDerWaalsContact C-N 3.3Å; K257-A259 PolarHBondContact O-N 3Å; K257-G260 PolarHBondContact O-N 2.84Å; K257-G260 VanDerWaalsContact O-N 3.13Å
258D89.1Confident83.3Confident82 Ų8245.5 Ų45.544%0.43923%0.234SC..Hα-helixtrans-69-31.6-180-76.1-7.8000111R254 L255 Y256 G260R254-D258 IonicContact CZ-OD1 2.57Å; R254-D258 IonicContact NE-OD1 3.63Å; R254-D258 IonicContact NE-OD2 3.41Å; R254-D258 WeakPolarHBondContact O-CB 3.25Å; R254-D258 VanDerWaalsContact O-CG 3.31Å; R254-D258 PolarHBondContact O-N 2.92Å; L255-D258 PolarHBondContact O-N 3.34Å; Y256-D258 PolarHBondContact O-N 3.43Å; D258-G260 PolarHBondContact O-N 2.93Å
259A86.6Confident81.8Confident44 Ų4454.8 Ų54.836%0.36427%0.269SS..Hα-helixtrans-83.3-2.9179.800000111F188 T192 L255 Y256 K257 L261F188-A259 HydrophobicContact CD2-CB 4.38Å; F188-A259 HydrophobicContact CE2-CB 3.94Å; T192-A259 HydrophobicContact CG2-CB 4.21Å; L255-A259 WeakPolarHBondContact O-CB 3.46Å; L255-A259 PolarHBondContact O-N 3.18Å; Y256-A259 CarbonylContact O-C 3.57Å; Y256-A259 PolarHBondContact O-N 3.44Å; K257-A259 PolarHBondContact O-N 3Å; A259-L261 HydrophobicContact CB-CD1 3.87Å; A259-L261 HydrophobicContact CB-CG 4.17Å
260G85.5Confident80.1Confident10 Ų1057.3 Ų57.310%0.10328%0.281CS..THydrogen-bonded Turntrans75.326.2179.700000111.8Y256 K257 D258 D299 T302Y256-G260 PolarHBondContact O-N 3.21Å; K257-G260 PolarHBondContact O-N 2.84Å; K257-G260 VanDerWaalsContact O-N 3.13Å; D258-G260 PolarHBondContact O-N 2.93Å; G260-D299 PolarHBondContact O-N 3.18Å; G260-T302 WeakPolarHBondContact CA-OG1 3.37Å; G260-T302 PolarHBondContact O-OG1 3.36Å
261L84.4Confident78Confident7 Ų758.9 Ų58.94%0.03729%0.294CS..BIsolated β-bridgetrans-105154.3178.3-61.4160.9000110.4E191 Y256 A259 L296 R298E191-L261 HydrophobicContact CB-CD1 4.07Å; E191-L261 HydrophobicContact CG-CD1 4.2Å; Y256-L261 HydrophobicContact CD1-CB 3.47Å; Y256-L261 VanDerWaalsContact CD1-CB 3.47Å; Y256-L261 HydrophobicContact CD1-CD1 4Å; Y256-L261 HydrophobicContact CD1-CG 4.41Å; Y256-L261 HydrophobicContact CE1-CB 4.17Å; Y256-L261 HydrophobicContact CE1-CD1 4.16Å; Y256-L261 HydrophobicContact CG-CB 4.29Å; Y256-L261 PolarHBondContact O-N 3.06Å; A259-L261 HydrophobicContact CB-CD1 3.87Å; A259-L261 HydrophobicContact CB-CG 4.17Å; L261-L296 HydrophobicContact CD2-CB 4.28Å; L261-R298 HydrophobicContact CD2-CG 3.94Å
262F81.1Confident75.6Confident72 Ų7267 Ų6732%0.31633%0.333SS..  trans-74.50179.2-76.4-73.8000110Y256 R298 D299Y256-F262 WeakPolarHBondContact CD1-O 3.33Å; F262-R298 WeakPolarHBondContact CE2-O 3.18Å; F262-D299 HydrophobicContact CD1-CB 4.34Å; F262-D299 WeakPolarHBondContact CD1-OD1 3.49Å; F262-D299 WeakPolarHBondContact CD1-OD2 3.27Å; F262-D299 HydrophobicContact CD2-CB 4.2Å; F262-D299 WeakPolarHBondContact CD2-OD1 3.28Å; F262-D299 HydrophobicContact CE1-CB 3.9Å; F262-D299 WeakPolarHBondContact CE1-OD1 3.2Å; F262-D299 WeakPolarHBondContact CE1-OD2 3.47Å; F262-D299 HydrophobicContact CE2-CB 3.74Å; F262-D299 WeakPolarHBondContact CE2-OD1 3.19Å; F262-D299 HydrophobicContact CG-CB 4.48Å; F262-D299 WeakPolarHBondContact CG-OD1 3.47Å; F262-D299 VanDerWaalsContact CZ-CA 3.41Å; F262-D299 HydrophobicContact CZ-CB 3.58Å; F262-D299 CovalentContact CZ-OD1 1.54Å; F262-D299 WeakPolarHBondContact CZ-OD1 3.47Å
263Y82Confident73.2Confident67 Ų6773.4 Ų73.426%0.26337%0.367SS..SBend0128.90-175.5-99.5000109.5G249 N252 F253 Y256G249-Y263 PolarHBondContact O-OH 3.07Å; N252-Y263 HydrophobicContact CB-CE2 4.07Å; F253-Y263 HydrophobicContact CB-CD1 4.06Å; F253-Y263 HydrophobicContact CB-CE1 3.96Å; F253-Y263 HydrophobicContact CB-CG 4.39Å; F253-Y263 AromaticContact CD2-CD1 3.17Å; F253-Y263 HydrophobicContact CD2-CD1 3.17Å; F253-Y263 AromaticContact CD2-CE1 3.78Å; F253-Y263 HydrophobicContact CD2-CE1 3.78Å; F253-Y263 AromaticContact CD2-CG 3.72Å; F253-Y263 HydrophobicContact CD2-CG 3.72Å; F253-Y263 HydrophobicContact CE2-CD1 4.04Å; F253-Y263 HydrophobicContact CG-CD1 4.08Å; F253-Y263 HydrophobicContact CG-CE1 4.34Å; Y256-Y263 HydrophobicContact CD2-CD2 4.34Å; Y256-Y263 HydrophobicContact CG-CD2 4.3Å
264P78.3Confident70.7Confident83 Ų8376 Ų7654%0.53939%0.388SS..SBendcis-64.2143.3-4.4-19.927.5000111.7K266P264-K266 PolarHBondContact O-N 3.37Å; P264-K266 VanDerWaalsContact O-N 3.17Å
265P76.5Confident68.4Low12 Ų1276 Ų768%0.07841%0.412CS..  trans-52.9121.5-172.420.5-24.5000112.1E184 Y256 L296E184-P265 HydrophobicContact CG-CG 3.67Å; Y256-P265 HydrophobicContact CE1-CB 4.2Å; P265-L296 HydrophobicContact CB-CD1 4.47Å; P265-L296 HydrophobicContact CB-CD2 3.33Å
266K73.7Confident66.1Low128 Ų12883.8 Ų83.856%0.55745%0.445SS*.  trans-105.9134.1171.7-65.1-177.5179.8178.50109.5P264 G297P264-K266 PolarHBondContact O-N 3.37Å; P264-K266 VanDerWaalsContact O-N 3.17Å; K266-G297 PolarHBondContact O-N 3.23Å; K266-G297 VanDerWaalsContact O-N 3.1Å
267L66Low64Low4 Ų491.2 Ų91.22%0.02148%0.48CS..BIsolated β-bridgetrans-71.2129.7179.8-63.7167.7000110.4R269 V270 L288 I289 E294L267-R269 PolarHBondContact O-N 3.42Å; L267-R269 VanDerWaalsContact O-N 3.15Å; L267-V270 HydrophobicContact CB-CG2 3.77Å; L267-V270 HydrophobicContact CD1-CG2 4.21Å; L267-V270 PolarHBondContact O-N 3.06Å; L267-L288 HydrophobicContact CD1-CB 3.4Å; L267-L288 HydrophobicContact CD1-CD1 4.01Å; L267-L288 HydrophobicContact CD1-CG 4.37Å; L267-I289 HydrophobicContact CD1-CG1 3.85Å; L267-I289 HydrophobicContact CD2-CG1 3.73Å; L267-I289 HydrophobicContact CG-CD1 4.41Å; L267-I289 HydrophobicContact CG-CG1 3.6Å; L267-E294 HydrophobicContact CD2-CB 3.91Å
268G58.7Low62.1Low36 Ų3691.4 Ų91.437%0.37148%0.482SS..SBendtrans-49.50-179.500000111.6V270 N271 E295G268-V270 PolarHBondContact O-N 3.33Å; G268-N271 PolarHBondContact O-N 3.32Å; G268-E295 PolarHBondContact N-O 2.91Å
269R57Low60.5Low196 Ų19695 Ų9574%0.7450%0.496SS*.G310 helix0-11.40-111-177.8-169-178.5-0.3111.1L267 N271 M272L267-R269 PolarHBondContact O-N 3.42Å; L267-R269 VanDerWaalsContact O-N 3.15Å; R269-N271 PolarHBondContact O-N 3.34Å; R269-M272 PolarHBondContact O-N 3.38Å
270V51.6Low59Low66 Ų6696 Ų9640%0.451%0.505SS..G310 helixtrans-880-176.9-179.90000109L267 G268 M272L267-V270 HydrophobicContact CB-CG2 3.77Å; L267-V270 HydrophobicContact CD1-CG2 4.21Å; L267-V270 PolarHBondContact O-N 3.06Å; G268-V270 PolarHBondContact O-N 3.33Å; V270-M272 PolarHBondContact O-N 3.46Å
271N42.4Very low57.9Low124 Ų12499.4 Ų99.466%0.66352%0.521SS*.G310 helix000-82.3-6.9000111.4G268 R269G268-N271 PolarHBondContact O-N 3.32Å; R269-N271 PolarHBondContact O-N 3.34Å
272M39.4Very low57Low170 Ų170104.3 Ų104.384%0.83754%0.542SS*.SBend000-96.2-120.8-128.900109.4R269 V270R269-M272 PolarHBondContact O-N 3.38Å; V270-M272 PolarHBondContact O-N 3.46Å
273L38Very low56.5Low137 Ų137106.9 Ų106.972%0.71756%0.555SS**SBend070.90-66.5169.9000109.2
274T36.6Very low55.7Low121 Ų121105.5 Ų105.574%0.74256%0.558SS**  68.293.2128.450.10000110.2K276T274-K276 PolarHBondContact O-N 3.5Å
275A40.1Very low55Low108 Ų108103.2 Ų103.289%0.89354%0.544SS*.SBend18.40122.100000111.4
276K43.2Very low54.8Low165 Ų165106.2 Ų106.272%0.71756%0.556SS**  071.30-85.8-175.1-179.7176.40109.1T274 H278T274-K276 PolarHBondContact O-N 3.5Å; K276-H278 VanDerWaalsContact C-N 3.31Å; K276-H278 PolarHBondContact O-N 2.84Å
277E43.8Very low54.9Low157 Ų157104.6 Ų104.673%0.73455%0.551SS**  trans-45.172.8178.5-73.4-178.117300111.2
278H49.6Very low55.1Low130 Ų130106.2 Ų106.260%0.60256%0.559SS**  trans-73.7123.5161.8-74.1-72.3000110.3K276 A280 D281 K282K276-H278 VanDerWaalsContact C-N 3.31Å; K276-H278 PolarHBondContact O-N 2.84Å; H278-A280 PolarHBondContact O-N 3.43Å; H278-D281 WeakPolarHBondContact O-CA 2.68Å; H278-D281 WeakPolarHBondContact O-CB 3.21Å; H278-D281 PolarHBondContact O-N 3.19Å; H278-K282 PolarHBondContact O-N 3.01Å
279E56.4Low55.8Low157 Ų157105.7 Ų105.773%0.73455%0.548SS*.Hα-helixtrans-28.3-32.2173.9-89.7-175.4-176.400111.7D281 K282 E283E279-D281 PolarHBondContact O-N 2.24Å; E279-K282 PolarHBondContact O-N 2.86Å; E279-K282 VanDerWaalsContact O-N 3.17Å; E279-E283 PolarHBondContact O-N 2.87Å; E279-E283 VanDerWaalsContact O-N 3.16Å
280A54.2Low56.8Low66 Ų6698 Ų9855%0.54552%0.52SS..Hα-helixtrans-71.7-27.5178.900000111.1H278 K282 E283 A284H278-A280 PolarHBondContact O-N 3.43Å; A280-K282 PolarHBondContact O-N 2.51Å; A280-E283 PolarHBondContact O-N 2.98Å; A280-A284 PolarHBondContact O-N 2.63Å
281D62.1Low57.9Low82 Ų8295.3 Ų95.344%0.43950%0.504SS..Hα-helixtrans-77.7-24.5179.5-71.6-18.2000111.2H278 E279 A284 S285H278-D281 WeakPolarHBondContact O-CA 2.68Å; H278-D281 WeakPolarHBondContact O-CB 3.21Å; H278-D281 PolarHBondContact O-N 3.19Å; E279-D281 PolarHBondContact O-N 2.24Å; D281-A284 PolarHBondContact O-N 1.45Å; D281-S285 VanDerWaalsContact O-CB 3.31Å; D281-S285 WeakPolarHBondContact O-CB 3.49Å; D281-S285 PolarHBondContact O-N 2.85Å; D281-S285 PolarHBondContact O-OG 1.57Å
282K66.5Low59.7Low110 Ų11089.5 Ų89.548%0.47847%0.473SS..Hα-helixtrans-75.5-37.6179.3-72.4-175.9-177.1176.70110.7H278 E279 A280 A284 S285 Q286H278-K282 PolarHBondContact O-N 3.01Å; E279-K282 PolarHBondContact O-N 2.86Å; E279-K282 VanDerWaalsContact O-N 3.17Å; A280-K282 PolarHBondContact O-N 2.51Å; K282-A284 PolarHBondContact O-N 2.94Å; K282-S285 PolarHBondContact O-N 3.35Å; K282-Q286 WeakPolarHBondContact O-CB 2.51Å; K282-Q286 WeakPolarHBondContact O-CG 2.23Å; K282-Q286 PolarHBondContact O-N 3.43Å
283E70.1Confident61.3Low126 Ų12681.5 Ų81.559%0.58943%0.434SS*.Hα-helixtrans-69.3-36.4179.6-73.1179.2-177.500111.1E279 A280 S285 Q286 E287E279-E283 PolarHBondContact O-N 2.87Å; E279-E283 VanDerWaalsContact O-N 3.16Å; A280-E283 PolarHBondContact O-N 2.98Å; E283-S285 VanDerWaalsContact C-N 3.25Å; E283-Q286 WeakPolarHBondContact O-CB 2.82Å; E283-Q286 PolarHBondContact O-N 3.01Å; E283-E287 WeakPolarHBondContact O-CB 2.88Å; E283-E287 WeakPolarHBondContact O-CG 3.38Å; E283-E287 PolarHBondContact O-N 3.18Å
284A65.7Low63Low38 Ų3876.9 Ų76.931%0.31441%0.409SS..Hα-helixtrans-67.2-40.2178.400000111.3A280 D281 K282 Q286 E287 L288A280-A284 PolarHBondContact O-N 2.63Å; D281-A284 PolarHBondContact O-N 1.45Å; K282-A284 PolarHBondContact O-N 2.94Å; A284-Q286 PolarHBondContact O-N 3.22Å; A284-E287 PolarHBondContact O-N 3.25Å; A284-L288 VanDerWaalsContact O-CG 3.3Å; A284-L288 WeakPolarHBondContact O-CG 0.04Å; A284-L288 PolarHBondContact O-N 3.08Å
285S64.5Low64.5Low35 Ų3578 Ų7825%0.24541%0.405CS..Hα-helixtrans-65.8-34.5179.6-61.80000110.6D281 K282 E283 E287 L288 I289D281-S285 VanDerWaalsContact O-CB 3.31Å; D281-S285 WeakPolarHBondContact O-CB 3.49Å; D281-S285 PolarHBondContact O-N 2.85Å; D281-S285 PolarHBondContact O-OG 1.57Å; K282-S285 PolarHBondContact O-N 3.35Å; E283-S285 VanDerWaalsContact C-N 3.25Å; S285-E287 PolarHBondContact O-N 2.63Å; S285-L288 WeakPolarHBondContact O-CB 3.19Å; S285-L288 PolarHBondContact O-N 3.08Å; S285-I289 WeakPolarHBondContact O-CG1 1.56Å; S285-I289 PolarHBondContact O-N 1.81Å
286Q72.3Confident66.1Low74 Ų7473.3 Ų73.335%0.34637%0.365SS..Hα-helixtrans-69.4-38.4178.8-73.7-178.8-11.800110.6K282 E283 A284 L288 I289 F290K282-Q286 WeakPolarHBondContact O-CB 2.51Å; K282-Q286 WeakPolarHBondContact O-CG 2.23Å; K282-Q286 PolarHBondContact O-N 3.43Å; E283-Q286 WeakPolarHBondContact O-CB 2.82Å; E283-Q286 PolarHBondContact O-N 3.01Å; A284-Q286 PolarHBondContact O-N 3.22Å; Q286-L288 PolarHBondContact O-N 3.47Å; Q286-I289 WeakPolarHBondContact O-CB 3.3Å; Q286-I289 PolarHBondContact O-N 1.55Å; Q286-I289 VanDerWaalsContact O-N 3.17Å; Q286-F290 HydrophobicContact CB-CD2 4.48Å; Q286-F290 HydrophobicContact CB-CE2 4.05Å; Q286-F290 WeakPolarHBondContact O-CB 3.47Å; Q286-F290 WeakPolarHBondContact O-CD2 3.19Å; Q286-F290 WeakPolarHBondContact O-CG 3.43Å; Q286-F290 PolarHBondContact O-N 3.22Å
287E73.8Confident66.9Low94 Ų9466.1 Ų66.144%0.43934%0.338SS..Hα-helixtrans-69.2-32.4-179.6-66.9-71.6166.200111E283 A284 S285 I289 F290 S291 Y373E283-E287 WeakPolarHBondContact O-CB 2.88Å; E283-E287 WeakPolarHBondContact O-CG 3.38Å; E283-E287 PolarHBondContact O-N 3.18Å; A284-E287 PolarHBondContact O-N 3.25Å; S285-E287 PolarHBondContact O-N 2.63Å; E287-I289 PolarHBondContact O-N 3.06Å; E287-F290 WeakPolarHBondContact O-CB 3.46Å; E287-F290 PolarHBondContact O-N 3.23Å; E287-S291 PolarHBondContact O-N 3.29Å; E287-Y373 HydrophobicContact CB-CD2 4.25Å
288L71.8Confident68.1Low39 Ų3965.7 Ų65.720%0.20433%0.329CS..Hα-helixtrans-69.2-36.2177.1-77.6168000110.5L267 A284 S285 Q286 F290 S291L267-L288 HydrophobicContact CD1-CB 3.4Å; L267-L288 HydrophobicContact CD1-CD1 4.01Å; L267-L288 HydrophobicContact CD1-CG 4.37Å; A284-L288 VanDerWaalsContact O-CG 3.3Å; A284-L288 WeakPolarHBondContact O-CG 0.04Å; A284-L288 PolarHBondContact O-N 3.08Å; S285-L288 WeakPolarHBondContact O-CB 3.19Å; S285-L288 PolarHBondContact O-N 3.08Å; Q286-L288 PolarHBondContact O-N 3.47Å; L288-F290 PolarHBondContact O-N 3.28Å; L288-S291 VanDerWaalsContact C-OG 3.22Å; L288-S291 WeakPolarHBondContact CA-OG 3.33Å; L288-S291 WeakPolarHBondContact O-CB 3.33Å; L288-S291 PolarHBondContact O-N 3.43Å; L288-S291 PolarHBondContact O-OG 2.88Å
289I72.7Confident68.7Low25 Ų2560.9 Ų60.913%0.12831%0.308CS..Hα-helixtrans-67.6-31.1178.7-68.8172.9000109.2V183 H187 L267 S285 Q286 E287 S291 L292V183-I289 HydrophobicContact CG1-CG2 3.86Å; V183-I289 WeakPolarHBondContact CG1-O 3.3Å; H187-I289 PolarHBondContact NE2-O 3.09Å; L267-I289 HydrophobicContact CD1-CG1 3.85Å; L267-I289 HydrophobicContact CD2-CG1 3.73Å; L267-I289 HydrophobicContact CG-CD1 4.41Å; L267-I289 HydrophobicContact CG-CG1 3.6Å; S285-I289 WeakPolarHBondContact O-CG1 1.56Å; S285-I289 PolarHBondContact O-N 1.81Å; Q286-I289 WeakPolarHBondContact O-CB 3.3Å; Q286-I289 PolarHBondContact O-N 1.55Å; Q286-I289 VanDerWaalsContact O-N 3.17Å; E287-I289 PolarHBondContact O-N 3.06Å; I289-S291 PolarHBondContact O-N 3.42Å; I289-S291 VanDerWaalsContact O-N 3.16Å; I289-L292 PolarHBondContact O-N 3.44Å; I289-L292 VanDerWaalsContact O-N 3.17Å
290F77.6Confident68.8Low33 Ų3358.6 Ų58.615%0.14531%0.309CS..Hα-helixtrans-73.7-19.2-179.8-73.6-38.8000110.5R179 V183 Q286 E287 L288 L292R179-F290 HydrophobicContact CG-CE1 4.02Å; R179-F290 HydrophobicContact CG-CZ 4.21Å; V183-F290 HydrophobicContact CB-CD1 3.66Å; V183-F290 HydrophobicContact CB-CE1 3.91Å; V183-F290 HydrophobicContact CG1-CD1 3.69Å; V183-F290 HydrophobicContact CG1-CE1 4.3Å; V183-F290 HydrophobicContact CG2-CD1 3.15Å; V183-F290 HydrophobicContact CG2-CE1 3.57Å; V183-F290 HydrophobicContact CG2-CG 4.3Å; Q286-F290 HydrophobicContact CB-CD2 4.48Å; Q286-F290 HydrophobicContact CB-CE2 4.05Å; Q286-F290 WeakPolarHBondContact O-CB 3.47Å; Q286-F290 WeakPolarHBondContact O-CD2 3.19Å; Q286-F290 WeakPolarHBondContact O-CG 3.43Å; Q286-F290 PolarHBondContact O-N 3.22Å; E287-F290 WeakPolarHBondContact O-CB 3.46Å; E287-F290 PolarHBondContact O-N 3.23Å; L288-F290 PolarHBondContact O-N 3.28Å; F290-L292 PolarHBondContact O-N 3.3Å
291S75.5Confident68.9Low11 Ų1160.1 Ų60.18%0.07732%0.316CS..THydrogen-bonded Turntrans-80.3-9.7-176.864.60000111.2E287 L288 I289 S293 W367 Y373E287-S291 PolarHBondContact O-N 3.29Å; L288-S291 VanDerWaalsContact C-OG 3.22Å; L288-S291 WeakPolarHBondContact CA-OG 3.33Å; L288-S291 WeakPolarHBondContact O-CB 3.33Å; L288-S291 PolarHBondContact O-N 3.43Å; L288-S291 PolarHBondContact O-OG 2.88Å; I289-S291 PolarHBondContact O-N 3.42Å; I289-S291 VanDerWaalsContact O-N 3.16Å; S291-S293 PolarHBondContact O-N 2.97Å; S291-S293 PolarHBondContact OG-OG 3.02Å; S291-S293 VanDerWaalsContact OG-OG 3.08Å; S291-W367 WeakPolarHBondContact O-CH2 3.2Å; S291-Y373 WeakPolarHBondContact CB-O 3.29Å
292L80.9Confident68.3Low2 Ų259.4 Ų59.41%0.0132%0.315CS..THydrogen-bonded Turntrans60.18.5173.8-64.8172.8000110.9V183 M186 H187 I190 I289 F290 E352 T355 F356V183-L292 HydrophobicContact CG1-CD2 3.99Å; M186-L292 HydrophobicContact CB-CD1 4.49Å; M186-L292 HydrophobicContact CB-CD2 3.92Å; M186-L292 HydrophobicContact SD-CD1 3.97Å; H187-L292 WeakPolarHBondContact CE1-CA 3.47Å; H187-L292 VanDerWaalsContact CE1-CD2 3.42Å; H187-L292 WeakPolarHBondContact CE1-CD2 3.43Å; H187-L292 VanDerWaalsContact NE2-CD2 3.31Å; H187-L292 WeakPolarHBondContact NE2-CD2 3.38Å; I190-L292 HydrophobicContact CD1-CB 4.18Å; I190-L292 HydrophobicContact CD1-CD2 4.01Å; I289-L292 PolarHBondContact O-N 3.44Å; I289-L292 VanDerWaalsContact O-N 3.17Å; F290-L292 PolarHBondContact O-N 3.3Å; L292-E352 HydrophobicContact CD1-CG 4.23Å; L292-T355 HydrophobicContact CB-CG2 3.87Å; L292-F356 HydrophobicContact CD1-CB 4.23Å
293S72.1Confident67.2Low2 Ų256 Ų561%0.01431%0.307CS..  trans-85.7-21-171.257.60000110.5S291 R359 G374S291-S293 PolarHBondContact O-N 2.97Å; S291-S293 PolarHBondContact OG-OG 3.02Å; S291-S293 VanDerWaalsContact OG-OG 3.08Å; S293-R359 PolarHBondContact O-NE 3.3Å; S293-R359 CovalentContact O-NH1 1.55Å; S293-R359 PolarHBondContact O-NH1 3.42Å; S293-R359 PolarHBondContact O-NH2 3.38Å; S293-G374 WeakPolarHBondContact CB-O 3.49Å; S293-G374 PolarHBondContact OG-O 3.12Å
294E73.1Confident65.5Low40 Ų4054.8 Ų54.819%0.18732%0.319CS..SBendtrans-108.1152.6-171.7-73.7-171.9174.900109.5L267 R359L267-E294 HydrophobicContact CD2-CB 3.91Å; E294-R359 VanDerWaalsContact N-NH1 3.16Å
295E69.3Low64.2Low144 Ų14457 Ų5767%0.67334%0.337SS*.PPolyproline II helixtrans-77.8140.1177.5-68.5-179.8-178.900110.6G268G268-E295 PolarHBondContact N-O 2.91Å
296L72.3Confident62.8Low10 Ų1061.8 Ų61.85%0.05236%0.355CS..BIsolated β-bridgetrans-77.6145.6-178.8-71.7162.4000110.3H187 E191 Y256 L261 P265H187-L296 HydrophobicContact CB-CD1 3.43Å; H187-L296 VanDerWaalsContact CB-CD1 3.43Å; H187-L296 HydrophobicContact CB-CG 4.38Å; E191-L296 HydrophobicContact CG-CB 4.44Å; E191-L296 HydrophobicContact CG-CD1 3.91Å; E191-L296 PolarHBondContact OE1-N 3.17Å; Y256-L296 HydrophobicContact CE1-CD1 4.01Å; L261-L296 HydrophobicContact CD2-CB 4.28Å; P265-L296 HydrophobicContact CB-CD1 4.47Å; P265-L296 HydrophobicContact CB-CD2 3.33Å
297G61.7Low61.1Low13 Ų1366.3 Ų66.313%0.13438%0.377CS..PPolyproline II helixtrans-66.6127.5176.900000111.2K266K266-G297 PolarHBondContact O-N 3.23Å; K266-G297 VanDerWaalsContact O-N 3.1Å
298R69Low59Low148 Ų14867.1 Ų67.156%0.55839%0.39SS*.BIsolated β-bridgetrans-88.9139.1177.1-69-172.9176.2152.3-0.2110.3L261 F262 S300L261-R298 HydrophobicContact CD2-CG 3.94Å; F262-R298 WeakPolarHBondContact CE2-O 3.18Å; R298-S300 PolarHBondContact O-N 3.29Å
299D61.9Low57.3Low30 Ų3070 Ų7016%0.1642%0.419CS..  trans-68.9103.8174.2-88.4-10.7000110.7G260 F262 S301 T302 A303G260-D299 PolarHBondContact O-N 3.18Å; F262-D299 HydrophobicContact CD1-CB 4.34Å; F262-D299 WeakPolarHBondContact CD1-OD1 3.49Å; F262-D299 WeakPolarHBondContact CD1-OD2 3.27Å; F262-D299 HydrophobicContact CD2-CB 4.2Å; F262-D299 WeakPolarHBondContact CD2-OD1 3.28Å; F262-D299 HydrophobicContact CE1-CB 3.9Å; F262-D299 WeakPolarHBondContact CE1-OD1 3.2Å; F262-D299 WeakPolarHBondContact CE1-OD2 3.47Å; F262-D299 HydrophobicContact CE2-CB 3.74Å; F262-D299 WeakPolarHBondContact CE2-OD1 3.19Å; F262-D299 HydrophobicContact CG-CB 4.48Å; F262-D299 WeakPolarHBondContact CG-OD1 3.47Å; F262-D299 VanDerWaalsContact CZ-CA 3.41Å; F262-D299 HydrophobicContact CZ-CB 3.58Å; F262-D299 CovalentContact CZ-OD1 1.54Å; F262-D299 WeakPolarHBondContact CZ-OD1 3.47Å; D299-S301 PolarHBondContact O-N 2.97Å; D299-T302 PolarHBondContact O-N 3.45Å; D299-T302 PolarHBondContact O-OG1 2.82Å; D299-A303 PolarHBondContact O-N 2.77Å
300S58.5Low55.5Low108 Ų10875.3 Ų75.376%0.75545%0.445SS*.THydrogen-bonded Turntrans-46.6-8177.247.30000111.4R298 T302R298-S300 PolarHBondContact O-N 3.29Å; S300-T302 PolarHBondContact O-N 3.31Å
301S55Low53.7Low99 Ų9979.6 Ų79.669%0.69247%0.47SS*.THydrogen-bonded Turntrans-92.8-9.8-178.760.50000110.9D299D299-S301 PolarHBondContact O-N 2.97Å
302T50.8Low52.3Low66 Ų6686.4 Ų86.441%0.40550%0.5SS..THydrogen-bonded Turntrans-116.8-5.1178.331.40000110.1G260 D299 S300 A304 A305G260-T302 WeakPolarHBondContact CA-OG1 3.37Å; G260-T302 PolarHBondContact O-OG1 3.36Å; D299-T302 PolarHBondContact O-N 3.45Å; D299-T302 PolarHBondContact O-OG1 2.82Å; S300-T302 PolarHBondContact O-N 3.31Å; T302-A304 PolarHBondContact O-N 3.34Å; T302-A305 PolarHBondContact O-N 2.66Å
303A42.3Very low50.2Low39 Ų3993.8 Ų93.832%0.32253%0.533SS..G310 helixtrans-72.30179.500000110.9D299 A305 Q306D299-A303 PolarHBondContact O-N 2.77Å; A303-A305 PolarHBondContact O-N 2.94Å; A303-A305 VanDerWaalsContact O-N 3.11Å; A303-Q306 PolarHBondContact O-N 2.89Å
304A35.7Very low49.2Very low101 Ų10198.7 Ų98.784%0.83556%0.564SS**G310 helix00000000110T302T302-A304 PolarHBondContact O-N 3.34Å
305A36.6Very low48.3Very low83 Ų83102.4 Ų102.469%0.68658%0.582SS**G310 helix00000000109.6T302 A303 E307T302-A305 PolarHBondContact O-N 2.66Å; A303-A305 PolarHBondContact O-N 2.94Å; A303-A305 VanDerWaalsContact O-N 3.11Å; A305-E307 PolarHBondContact O-N 2.7Å
306Q35.4Very low47.5Very low136 Ų136104.6 Ų104.664%0.63659%0.592SS**  093.60-93.1174.84.400111.1A303 P308A303-Q306 PolarHBondContact O-N 2.89Å; Q306-P308 VanDerWaalsContact O-N 3.15Å
307E36.2Very low46.6Very low170 Ų170112.8 Ų112.879%0.79463%0.63SS**  trans3.895.8152.8-79.9-157166.900111.6A305 A309A305-E307 PolarHBondContact O-N 2.7Å; E307-A309 VanDerWaalsContact C-N 3.29Å; E307-A309 PolarHBondContact O-N 3.05Å
308P30.2Very low46Very low110 Ų110115.5 Ų115.571%0.71465%0.647SS**  trans-36.80166.922.2-21.7000111.7Q306 M310Q306-P308 VanDerWaalsContact O-N 3.15Å; P308-M310 VanDerWaalsContact O-CA 3.23Å; P308-M310 WeakPolarHBondContact O-CA 3.35Å; P308-M310 PolarHBondContact O-N 3.3Å
309A35.7Very low45.4Very low99 Ų99112.7 Ų112.782%0.81866%0.664SS**  00000000111.5E307 D311E307-A309 VanDerWaalsContact C-N 3.29Å; E307-A309 PolarHBondContact O-N 3.05Å; A309-D311 PolarHBondContact O-N 3.37Å
310M35.7Very low45.3Very low137 Ų137116.9 Ų116.968%0.67568%0.684SS**  089.30-147.5169.664.400110.4P308 E312P308-M310 VanDerWaalsContact O-CA 3.23Å; P308-M310 WeakPolarHBondContact O-CA 3.35Å; P308-M310 PolarHBondContact O-N 3.3Å; M310-E312 PolarHBondContact O-N 3.46Å
311D40.3Very low45.6Very low124 Ų124117.4 Ų117.466%0.66368%0.678SS**  trans-180156.9-129.3-2.7000111.5A309 F313A309-D311 PolarHBondContact O-N 3.37Å; D311-F313 HydrophobicContact CB-CE2 4.21Å; D311-F313 WeakPolarHBondContact O-CD2 3.12Å; D311-F313 PolarHBondContact O-N 2.88Å
312E44.8Very low46.5Very low154 Ų154118 Ų11872%0.7268%0.677SS**  071.70-131.8164.7-172.100111.7M310M310-E312 PolarHBondContact O-N 3.46Å
313F38Very low47.5Very low157 Ų157120.2 Ų120.269%0.68969%0.687SS**  trans-58.2120.4170.7-76.6-82.6000109.8D311 E315D311-F313 HydrophobicContact CB-CE2 4.21Å; D311-F313 WeakPolarHBondContact O-CD2 3.12Å; D311-F313 PolarHBondContact O-N 2.88Å; F313-E315 PolarHBondContact O-N 3.16Å
314P50.5Low49.1Very low104 Ų104121.6 Ų121.668%0.67569%0.691SS**  trans-43.4100.3174.8-0.27.7000111.7E316P314-E316 PolarHBondContact O-N 3.28Å
315E55.1Low51.1Low119 Ų119119.1 Ų119.156%0.55666%0.663SS**THydrogen-bonded Turntrans-12.46.2160.6-67.1-178.2-179.300111.8F313 K329F313-E315 PolarHBondContact O-N 3.16Å; E315-K329 WeakPolarHBondContact OE1-CE 3.19Å; E315-K329 IonicContact OE1-NZ 2.51Å; E315-K329 PolarHBondContact OE1-NZ 3.33Å; E315-K329 IonicContact OE2-NZ 3.84Å; E315-K329 PolarHBondContact OE2-NZ 2.84Å
316E52.5Low53.1Low190 Ų190117.5 Ų117.589%0.88865%0.65SS**THydrogen-bonded Turntrans-1220-177-73.6-172.9177.700110.1P314P314-E316 PolarHBondContact O-N 3.28Å
317E51.6Low55Low182 Ų182114.9 Ų114.985%0.8564%0.641SS**SBend000-95.9-177.4179.900109.4
318S50.2Low57Low70 Ų70112.8 Ų112.849%0.4963%0.626SS.*  066.3052.10000109.3M320S318-M320 WeakPolarHBondContact O-CA 3.44Å; S318-M320 PolarHBondContact O-N 3.49Å
319G56.8Low59.4Low89 Ų89112.4 Ų112.492%0.91861%0.613SS**  trans9.315158.200000112.3
320M58.4Low61.5Low118 Ų118113 Ų11358%0.58159%0.594SS**  trans-87.4129.4-179.6-148.8131.8168.100108.6S318 T322 V324 I325S318-M320 WeakPolarHBondContact O-CA 3.44Å; S318-M320 PolarHBondContact O-N 3.49Å; M320-T322 PolarHBondContact O-N 3.47Å; M320-V324 HydrophobicContact CE-CG1 4.01Å; M320-V324 HydrophobicContact CG-CB 4.48Å; M320-I325 HydrophobicContact CB-CD1 4.34Å; M320-I325 HydrophobicContact CB-CG1 4.4Å
321D65.6Low63.7Low119 Ų119107.9 Ų107.964%0.63657%0.571SS**  trans-40.1113.2178.3-71-22.4000111.5D323 V324 I325D321-D323 PolarHBondContact O-N 2.9Å; D321-V324 HydrophobicContact CB-CG2 4.06Å; D321-V324 PolarHBondContact O-N 3.42Å; D321-I325 PolarHBondContact O-N 2.79Å
322T74.1Confident65.8Low110 Ų110106.9 Ų106.968%0.67556%0.558SS**Hα-helixtrans-37.7-23.2176.755.20000110.6M320 A326M320-T322 PolarHBondContact O-N 3.47Å; T322-A326 WeakPolarHBondContact O-CB 3.05Å; T322-A326 PolarHBondContact O-N 2.95Å
323D72.7Confident67.6Low114 Ų114101.8 Ų101.861%0.6154%0.54SS*.Hα-helixtrans-80.4-34-176.9-68.5-19.9000111D321 I325 A326 D327D321-D323 PolarHBondContact O-N 2.9Å; D323-I325 PolarHBondContact O-N 3.23Å; D323-A326 PolarHBondContact O-N 3.35Å; D323-D327 VanDerWaalsContact O-CG 3.27Å; D323-D327 PolarHBondContact O-N 3.1Å
324V75.6Confident69.9Low68 Ų6894.8 Ų94.841%0.41251%0.509SS..Hα-helixtrans-73.7-33.4-178.5178.90000109.6M320 D321 A326 D327 Y328M320-V324 HydrophobicContact CE-CG1 4.01Å; M320-V324 HydrophobicContact CG-CB 4.48Å; D321-V324 HydrophobicContact CB-CG2 4.06Å; D321-V324 PolarHBondContact O-N 3.42Å; V324-A326 VanDerWaalsContact C-N 3.26Å; V324-A326 PolarHBondContact O-N 3.07Å; V324-D327 PolarHBondContact O-N 2.89Å; V324-Y328 WeakPolarHBondContact O-CB 3.48Å; V324-Y328 PolarHBondContact O-N 3.15Å
325I77.5Confident71.6Confident48 Ų4892.4 Ų92.425%0.24649%0.489CS..Hα-helixtrans-70.2-42.6179.6-66.6171000109.3M320 D321 D323 D327 Y328 K329M320-I325 HydrophobicContact CB-CD1 4.34Å; M320-I325 HydrophobicContact CB-CG1 4.4Å; D321-I325 PolarHBondContact O-N 2.79Å; D323-I325 PolarHBondContact O-N 3.23Å; I325-D327 PolarHBondContact O-N 3.05Å; I325-Y328 WeakPolarHBondContact O-CB 3.42Å; I325-Y328 PolarHBondContact O-N 3.44Å; I325-Y328 VanDerWaalsContact O-N 3.16Å; I325-K329 HydrophobicContact CG2-CD 4.47Å; I325-K329 WeakPolarHBondContact O-CG 3.23Å; I325-K329 PolarHBondContact O-N 2.65Å
326A77.2Confident73.2Confident49 Ų4992.1 Ų92.141%0.40549%0.486SS..Hα-helixtrans-62.5-36.4179.900000110.9T322 D323 V324 Y328 K329 R330T322-A326 WeakPolarHBondContact O-CB 3.05Å; T322-A326 PolarHBondContact O-N 2.95Å; D323-A326 PolarHBondContact O-N 3.35Å; V324-A326 VanDerWaalsContact C-N 3.26Å; V324-A326 PolarHBondContact O-N 3.07Å; A326-Y328 VanDerWaalsContact C-N 3.26Å; A326-Y328 PolarHBondContact O-N 3.44Å; A326-K329 PolarHBondContact O-N 3.31Å; A326-R330 PolarHBondContact O-N 3.07Å
327D75.4Confident74.9Confident82 Ų8283.9 Ų83.944%0.43945%0.448SS..Hα-helixtrans-69.2-38.5179.5-76.1-15.3000111.3D323 V324 I325 K329 R330 V331D323-D327 VanDerWaalsContact O-CG 3.27Å; D323-D327 PolarHBondContact O-N 3.1Å; V324-D327 PolarHBondContact O-N 2.89Å; I325-D327 PolarHBondContact O-N 3.05Å; D327-K329 PolarHBondContact O-N 3.42Å; D327-R330 WeakPolarHBondContact O-CB 3.44Å; D327-R330 PolarHBondContact O-N 2.68Å; D327-R330 IonicContact OD1-NH1 3.97Å; D327-R330 PolarHBondContact OD1-NH1 3.07Å; D327-V331 WeakPolarHBondContact O-CG2 3.12Å; D327-V331 PolarHBondContact O-N 3.35Å
328Y79.1Confident76.7Confident126 Ų12675.2 Ų75.249%0.49441%0.408SS..Hα-helixtrans-64.3-38.9178.4-179.4-100.3000110.6V324 I325 A326 R330 V331 R332V324-Y328 WeakPolarHBondContact O-CB 3.48Å; V324-Y328 PolarHBondContact O-N 3.15Å; I325-Y328 WeakPolarHBondContact O-CB 3.42Å; I325-Y328 PolarHBondContact O-N 3.44Å; I325-Y328 VanDerWaalsContact O-N 3.16Å; A326-Y328 VanDerWaalsContact C-N 3.26Å; A326-Y328 PolarHBondContact O-N 3.44Å; Y328-R330 PolarHBondContact O-N 3.37Å; Y328-V331 PolarHBondContact O-N 3.26Å; Y328-R332 PolarHBondContact O-N 2.94Å
329K81Confident78.5Confident102 Ų10274.9 Ų74.944%0.44341%0.409SS..Hα-helixtrans-67.8-36.8179.7-75.4-174.8-179179.60110.4E315 I325 A326 D327 V331 R332 S333E315-K329 WeakPolarHBondContact OE1-CE 3.19Å; E315-K329 IonicContact OE1-NZ 2.51Å; E315-K329 PolarHBondContact OE1-NZ 3.33Å; E315-K329 IonicContact OE2-NZ 3.84Å; E315-K329 PolarHBondContact OE2-NZ 2.84Å; I325-K329 HydrophobicContact CG2-CD 4.47Å; I325-K329 WeakPolarHBondContact O-CG 3.23Å; I325-K329 PolarHBondContact O-N 2.65Å; A326-K329 PolarHBondContact O-N 3.31Å; D327-K329 PolarHBondContact O-N 3.42Å; K329-V331 PolarHBondContact O-N 2.72Å; K329-R332 PolarHBondContact O-N 3.02Å; K329-S333 WeakPolarHBondContact O-CB 3.45Å; K329-S333 PolarHBondContact O-N 2.97Å; K329-S333 PolarHBondContact O-OG 2.84Å
330R79.1Confident80Confident110 Ų11073.9 Ų73.942%0.41540%0.399SS..Hα-helixtrans-66-41.4180-168.4-176.6-86.7132.8-0.4111A326 D327 Y328 R332 S333 V334 K459A326-R330 PolarHBondContact O-N 3.07Å; D327-R330 WeakPolarHBondContact O-CB 3.44Å; D327-R330 PolarHBondContact O-N 2.68Å; D327-R330 IonicContact OD1-NH1 3.97Å; D327-R330 PolarHBondContact OD1-NH1 3.07Å; Y328-R330 PolarHBondContact O-N 3.37Å; R330-R332 PolarHBondContact O-N 3.42Å; R330-S333 VanDerWaalsContact C-OG 3.28Å; R330-S333 WeakPolarHBondContact CA-OG 3.28Å; R330-S333 PolarHBondContact O-N 3.47Å; R330-S333 VanDerWaalsContact O-N 3.15Å; R330-S333 PolarHBondContact O-OG 3.27Å; R330-V334 WeakPolarHBondContact O-CG2 3.05Å; R330-V334 PolarHBondContact O-N 3.06Å; R330-K459 VanDerWaalsContact NH2-CE 3.29Å
331V81.8Confident81.6Confident31 Ų3169.8 Ų69.819%0.18838%0.379CS..Hα-helixtrans-65.4-36.9-178.7172.60000109.9R196 D327 Y328 K329 S333 V334 Q335R196-V331 VanDerWaalsContact NH2-CG1 3.33Å; D327-V331 WeakPolarHBondContact O-CG2 3.12Å; D327-V331 PolarHBondContact O-N 3.35Å; Y328-V331 PolarHBondContact O-N 3.26Å; K329-V331 PolarHBondContact O-N 2.72Å; V331-S333 PolarHBondContact O-N 3.29Å; V331-V334 PolarHBondContact O-N 2.41Å; V331-Q335 HydrophobicContact CG1-CG 4.35Å; V331-Q335 WeakPolarHBondContact O-CG 3.27Å; V331-Q335 PolarHBondContact O-N 3.08Å; V331-Q335 VanDerWaalsContact O-N 3.08Å
332R84.1Confident82.9Confident102 Ų10267 Ų6739%0.38536%0.361SS..Hα-helixtrans-71.7-35.7-178.3-164.6176.6176176.32.6110.6Y328 K329 R330 V334 Q335 K336Y328-R332 PolarHBondContact O-N 2.94Å; K329-R332 PolarHBondContact O-N 3.02Å; R330-R332 PolarHBondContact O-N 3.42Å; R332-V334 PolarHBondContact O-N 2.76Å; R332-Q335 PolarHBondContact O-N 2.87Å; R332-K336 PolarHBondContact O-N 3.2Å
333S83.5Confident83.8Confident48 Ų4861.8 Ų61.834%0.33633%0.329SS..Hα-helixtrans-65.3-34.9-179.665.60000110.9K329 R330 V331 Q335 K336 L337K329-S333 WeakPolarHBondContact O-CB 3.45Å; K329-S333 PolarHBondContact O-N 2.97Å; K329-S333 PolarHBondContact O-OG 2.84Å; R330-S333 VanDerWaalsContact C-OG 3.28Å; R330-S333 WeakPolarHBondContact CA-OG 3.28Å; R330-S333 PolarHBondContact O-N 3.47Å; R330-S333 VanDerWaalsContact O-N 3.15Å; R330-S333 PolarHBondContact O-OG 3.27Å; V331-S333 PolarHBondContact O-N 3.29Å; S333-Q335 PolarHBondContact O-N 3.14Å; S333-K336 PolarHBondContact O-N 3.43Å; S333-L337 WeakPolarHBondContact O-CA 3.23Å; S333-L337 PolarHBondContact O-N 3.31Å; S333-L337 VanDerWaalsContact O-N 3.14Å
334V85.7Confident84.8Confident9 Ų956.5 Ų56.56%0.05530%0.301CS..Hα-helixtrans-75.2-31.4-177.6173.50000109.5R330 V331 R332 K336 L337 V413R330-V334 WeakPolarHBondContact O-CG2 3.05Å; R330-V334 PolarHBondContact O-N 3.06Å; V331-V334 PolarHBondContact O-N 2.41Å; R332-V334 PolarHBondContact O-N 2.76Å; V334-K336 PolarHBondContact O-N 2.84Å; V334-L337 WeakPolarHBondContact O-CB 3.45Å; V334-L337 PolarHBondContact O-N 3.15Å; V334-V413 HydrophobicContact CG1-CG1 4.46Å
335Q86.8Confident85.6Confident54 Ų5453.3 Ų53.325%0.25228%0.282SS..Hα-helixtrans-69-28.3-178-71.4178.3-10.500110.9K193 V331 R332 S333 C361K193-Q335 HydrophobicContact CB-CB 4.23Å; K193-Q335 HydrophobicContact CB-CG 3.86Å; K193-Q335 HydrophobicContact CD-CB 4.04Å; K193-Q335 WeakPolarHBondContact O-CG 3.44Å; K193-Q335 PolarHBondContact O-NE2 2.7Å; V331-Q335 HydrophobicContact CG1-CG 4.35Å; V331-Q335 WeakPolarHBondContact O-CG 3.27Å; V331-Q335 PolarHBondContact O-N 3.08Å; V331-Q335 VanDerWaalsContact O-N 3.08Å; R332-Q335 PolarHBondContact O-N 2.87Å; S333-Q335 PolarHBondContact O-N 3.14Å; Q335-C361 CarbonylContact O-C 3.43Å; Q335-C361 VanDerWaalsContact O-C 3.27Å
336K88.1Confident86.2Confident114 Ų11451.8 Ų51.850%0.49628%0.275SS..THydrogen-bonded Turntrans-114.324.3-176.7-69.3-177.4-178.3178.60109.9R332 S333 V334 F338 A339R332-K336 PolarHBondContact O-N 3.2Å; S333-K336 PolarHBondContact O-N 3.43Å; V334-K336 PolarHBondContact O-N 2.84Å; K336-F338 PolarHBondContact O-N 3.16Å; K336-A339 HydrophobicContact CB-CB 4.3Å; K336-A339 PolarHBondContact O-N 2.59Å
337L88.2Confident86.7Confident17 Ų1757 Ų579%0.08928%0.284CS..THydrogen-bonded Turntrans-64.1-40.2-171.6-171.372.7000110.8S333 V334 A339 C361 C412 V413 L418S333-L337 WeakPolarHBondContact O-CA 3.23Å; S333-L337 PolarHBondContact O-N 3.31Å; S333-L337 VanDerWaalsContact O-N 3.14Å; V334-L337 WeakPolarHBondContact O-CB 3.45Å; V334-L337 PolarHBondContact O-N 3.15Å; L337-A339 VanDerWaalsContact C-N 3.33Å; L337-C361 HydrophobicContact CB-CB 4.25Å; L337-C361 PolarHBondContact N-O 2.63Å; L337-C412 HydrophobicContact CD2-CB 4Å; L337-V413 HydrophobicContact CD2-CG2 4.49Å; L337-L418 HydrophobicContact CD1-CD2 4.33Å; L337-L418 HydrophobicContact CD1-CG 4.28Å; L337-L418 HydrophobicContact CG-CD2 3.99Å; L337-L418 HydrophobicContact CG-CG 4.47Å
338F90.8Very high87.2Confident0 Ų055.8 Ų55.80%028%0.276CS..THydrogen-bonded Turntrans-111.525.6-175.4-66.5-49.4000110.2K336 G340 L341 F343 C361 G363 W408 V409 C412 V413 L418K336-F338 PolarHBondContact O-N 3.16Å; F338-G340 PolarHBondContact O-N 3.26Å; F338-G340 VanDerWaalsContact O-N 3.08Å; F338-L341 HydrophobicContact CD1-CD1 3.8Å; F338-L341 PolarHBondContact O-N 2.9Å; F338-L341 VanDerWaalsContact O-N 3.14Å; F338-F343 HydrophobicContact CB-CE2 4.04Å; F338-F343 AromaticContact CD1-CE2 3.84Å; F338-F343 HydrophobicContact CD1-CE2 3.84Å; F338-F343 AromaticContact CD1-CZ 3.67Å; F338-F343 HydrophobicContact CD1-CZ 3.67Å; F338-F343 HydrophobicContact CE1-CE2 4.45Å; F338-F343 AromaticContact CE1-CZ 3.87Å; F338-F343 HydrophobicContact CE1-CZ 3.87Å; F338-F343 AromaticContact CG-CE2 3.91Å; F338-F343 HydrophobicContact CG-CE2 3.91Å; F338-F343 HydrophobicContact CG-CZ 4.16Å; F338-C361 HydrophobicContact CB-CB 4.38Å; F338-C361 HydrophobicContact CD2-CB 3.27Å; F338-C361 HydrophobicContact CE2-CB 3.86Å; F338-C361 HydrophobicContact CG-CB 4.15Å; F338-C361 PolarHBondContact N-O 3.08Å; F338-C361 VanDerWaalsContact N-O 3.11Å; F338-G363 WeakPolarHBondContact O-CA 3.44Å; F338-W408 HydrophobicContact CE1-CH2 4.1Å; F338-W408 HydrophobicContact CE1-CZ3 4.09Å; F338-V409 HydrophobicContact CE2-CG1 4.21Å; F338-V409 HydrophobicContact CZ-CG1 4.31Å; F338-C412 HydrophobicContact CE1-CB 4.41Å; F338-C412 HydrophobicContact CZ-CB 4.01Å; F338-V413 HydrophobicContact CE2-CG2 4.14Å; F338-L418 HydrophobicContact CD1-CD2 3.81Å; F338-L418 HydrophobicContact CE1-CD2 3.52Å
339A88.1Confident87.8Confident62 Ų6250 Ų5051%0.51225%0.253SS..THydrogen-bonded Turntrans-67.10-177.800000109.8K336 L337 L341K336-A339 HydrophobicContact CB-CB 4.3Å; K336-A339 PolarHBondContact O-N 2.59Å; L337-A339 VanDerWaalsContact C-N 3.33Å; A339-L341 VanDerWaalsContact C-N 3.35Å; A339-L341 PolarHBondContact O-N 3.31Å
340G87Confident88.2Confident68 Ų6847.7 Ų47.770%0.70125%0.249SC*.THydrogen-bonded Turn0-11.8000000111.2F338F338-G340 PolarHBondContact O-N 3.26Å; F338-G340 VanDerWaalsContact O-N 3.08Å
341L91.6Very high88.6Confident33 Ų3345 Ų4517%0.17324%0.239CC..  trans-88.4139.8179.3-64174.9000110.7F338 A339 F343 L364 T385 L418F338-L341 HydrophobicContact CD1-CD1 3.8Å; F338-L341 PolarHBondContact O-N 2.9Å; F338-L341 VanDerWaalsContact O-N 3.14Å; A339-L341 VanDerWaalsContact C-N 3.35Å; A339-L341 PolarHBondContact O-N 3.31Å; L341-F343 HydrophobicContact CB-CD2 4.38Å; L341-F343 HydrophobicContact CB-CE2 3.74Å; L341-F343 HydrophobicContact CB-CZ 4.37Å; L341-F343 HydrophobicContact CD1-CE2 4.4Å; L341-F343 HydrophobicContact CD1-CZ 4.35Å; L341-L364 PolarHBondContact O-N 2.43Å; L341-T385 HydrophobicContact CD2-CG2 4.22Å; L341-L418 HydrophobicContact CD1-CD1 4.37Å; L341-L418 HydrophobicContact CD1-CD2 4.35Å
342K93.2Very high89Confident60 Ų6044.7 Ų44.726%0.26124%0.235SC..EExtended strand (participates in β ladder)trans-110.3123.1178.7-68.3-173.3174-176.10110.2L364 T383 T385 H386K342-L364 HydrophobicContact CG-CB 4.25Å; K342-L364 HydrophobicContact CG-CD1 4.14Å; K342-T383 WeakPolarHBondContact CD-OG1 3.39Å; K342-T383 PolarHBondContact NZ-OG1 3.25Å; K342-T385 PolarHBondContact N-OG1 3.4Å; K342-T385 VanDerWaalsContact N-OG1 3.16Å; K342-T385 PolarHBondContact O-N 3.11Å; K342-T385 PolarHBondContact O-OG1 3.3Å; K342-H386 PolarHBondContact O-N 3.14Å; K342-H386 VanDerWaalsContact O-N 3.12Å
343F94Very high89.4Confident0 Ų040.5 Ų40.50%022%0.221CC..EExtended strand (participates in β ladder)trans-107.5142.1-177.6-73.6-93.6000110.5F338 L341 I358 L364 S366 Y377 H386 I388 W408 V409F338-F343 HydrophobicContact CB-CE2 4.04Å; F338-F343 AromaticContact CD1-CE2 3.84Å; F338-F343 HydrophobicContact CD1-CE2 3.84Å; F338-F343 AromaticContact CD1-CZ 3.67Å; F338-F343 HydrophobicContact CD1-CZ 3.67Å; F338-F343 HydrophobicContact CE1-CE2 4.45Å; F338-F343 AromaticContact CE1-CZ 3.87Å; F338-F343 HydrophobicContact CE1-CZ 3.87Å; F338-F343 AromaticContact CG-CE2 3.91Å; F338-F343 HydrophobicContact CG-CE2 3.91Å; F338-F343 HydrophobicContact CG-CZ 4.16Å; L341-F343 HydrophobicContact CB-CD2 4.38Å; L341-F343 HydrophobicContact CB-CE2 3.74Å; L341-F343 HydrophobicContact CB-CZ 4.37Å; L341-F343 HydrophobicContact CD1-CE2 4.4Å; L341-F343 HydrophobicContact CD1-CZ 4.35Å; F343-I358 HydrophobicContact CB-CD1 3.87Å; F343-I358 HydrophobicContact CB-CG2 4.47Å; F343-I358 HydrophobicContact CD1-CD1 4.15Å; F343-I358 HydrophobicContact CD2-CD1 4.29Å; F343-I358 HydrophobicContact CD2-CG2 3.55Å; F343-I358 HydrophobicContact CE2-CG2 4.03Å; F343-I358 HydrophobicContact CG-CD1 3.86Å; F343-I358 HydrophobicContact CG-CG2 4.18Å; F343-L364 PolarHBondContact N-O 2.65Å; F343-S366 PolarHBondContact O-N 2.71Å; F343-Y377 PolarHBondContact N-OH 3.44Å; F343-Y377 PolarHBondContact O-OH 3.43Å; F343-H386 CarbonylContact C-O 3.55Å; F343-H386 VanDerWaalsContact CA-O 3.29Å; F343-H386 WeakPolarHBondContact CA-O 3.2Å; F343-H386 HydrophobicContact CD1-CB 3.55Å; F343-H386 HydrophobicContact CE1-CB 3.54Å; F343-H386 AromaticContact CE1-CG 3.91Å; F343-H386 HydrophobicContact CG-CB 4.42Å; F343-H386 HydrophobicContact CZ-CB 4.4Å; F343-I388 HydrophobicContact CD1-CD1 4.14Å; F343-I388 HydrophobicContact CD1-CG1 4.14Å; F343-I388 HydrophobicContact CE1-CD1 4.38Å; F343-W408 HydrophobicContact CE1-CE3 4.24Å; F343-W408 HydrophobicContact CE1-CH2 4.34Å; F343-W408 AromaticContact CE1-CZ3 3.43Å; F343-W408 HydrophobicContact CE1-CZ3 3.43Å; F343-W408 VanDerWaalsContact CE1-CZ3 3.43Å; F343-W408 HydrophobicContact CZ-CH2 4.25Å; F343-W408 AromaticContact CZ-CZ3 3.66Å; F343-W408 HydrophobicContact CZ-CZ3 3.66Å; F343-V409 HydrophobicContact CE1-CG2 4.49Å
344F93.3Very high89.9Confident4 Ų438.2 Ų38.22%0.01821%0.205CC..EExtended strand (participates in β ladder)trans-119.10173.2-169.1-96000108.8S366 Y377 E379 I384 H386 Q387 I388F344-S366 WeakPolarHBondContact CA-O 3.22Å; F344-Y377 HydrophobicContact CD2-CD2 4.44Å; F344-Y377 HydrophobicContact CD2-CE2 4.25Å; F344-E379 HydrophobicContact CD1-CG 4.28Å; F344-E379 HydrophobicContact CE1-CB 3.8Å; F344-E379 HydrophobicContact CE1-CG 3.69Å; F344-E379 VanDerWaalsContact CE2-CA 3.43Å; F344-E379 HydrophobicContact CE2-CB 3.82Å; F344-E379 HydrophobicContact CE2-CG 4.45Å; F344-E379 HydrophobicContact CZ-CB 3.32Å; F344-E379 HydrophobicContact CZ-CG 3.79Å; F344-I384 HydrophobicContact CB-CD1 4.06Å; F344-I384 HydrophobicContact CB-CG2 3.84Å; F344-I384 HydrophobicContact CD2-CD1 3.88Å; F344-I384 HydrophobicContact CG-CD1 4.19Å; F344-H386 PolarHBondContact N-O 3.28Å; F344-Q387 HydrophobicContact CB-CG 4.33Å; F344-Q387 HydrophobicContact CD1-CG 4.12Å; F344-Q387 CarbonylContact O-C 3.5Å; F344-Q387 WeakPolarHBondContact O-CA 3.45Å; F344-I388 PolarHBondContact O-N 2.8Å
345L93Very high90.2Very high1 Ų137.9 Ų37.91%0.00520%0.203CC..EExtended strand (participates in β ladder)0131.90-55.3179.5000110.1V349 L354 T355 I358 V365 S366 I388L345-V349 HydrophobicContact CB-CG2 3.9Å; L345-L354 HydrophobicContact CD1-CB 4.08Å; L345-L354 HydrophobicContact CD2-CB 4.13Å; L345-L354 HydrophobicContact CD2-CD1 3.97Å; L345-T355 WeakPolarHBondContact CD1-OG1 3.4Å; L345-I358 HydrophobicContact CD2-CD1 4.04Å; L345-V365 HydrophobicContact CD1-CG2 3.29Å; L345-V365 HydrophobicContact CD2-CG2 4.2Å; L345-V365 HydrophobicContact CG-CG2 3.45Å; L345-V365 VanDerWaalsContact CG-CG2 3.45Å; L345-S366 PolarHBondContact N-O 2.87Å; L345-I388 HydrophobicContact CD2-CB 3.93Å; L345-I388 HydrophobicContact CD2-CG1 3.84Å
346S89.9Confident90.6Very high15 Ų1535.4 Ų35.411%0.10519%0.192CC..  trans-80.9165.3177.3-67.40000110.7E348 V349 I388 V389S346-E348 WeakPolarHBondContact CB-OE1 3.26Å; S346-E348 WeakPolarHBondContact CB-OE2 3.45Å; S346-E348 PolarHBondContact O-N 3.41Å; S346-E348 VanDerWaalsContact O-N 3.14Å; S346-E348 PolarHBondContact OG-OE1 2.79Å; S346-V349 WeakPolarHBondContact O-CG2 3.21Å; S346-I388 WeakPolarHBondContact CB-O 3.15Å; S346-I388 PolarHBondContact N-O 2.81Å; S346-I388 VanDerWaalsContact N-O 3.17Å; S346-I388 PolarHBondContact OG-O 3.41Å; S346-V389 WeakPolarHBondContact OG-CG2 3.48Å
347R86.6Confident90.8Very high160 Ų16030 Ų3060%0.60417%0.168SC*.THydrogen-bonded Turntrans-65.1-16.8-172.261.9-178.9160.1-174.10.1111.2V371R347-V371 HydrophobicContact CB-CG2 4.36Å
348E86.9Confident91.1Very high55 Ų5529.1 Ų29.126%0.25716%0.164SC..THydrogen-bonded Turntrans-93.5-20.7-170.660.3-84.4-161.700109.9S346 V389 D390 R391S346-E348 WeakPolarHBondContact CB-OE1 3.26Å; S346-E348 WeakPolarHBondContact CB-OE2 3.45Å; S346-E348 PolarHBondContact O-N 3.41Å; S346-E348 VanDerWaalsContact O-N 3.14Å; S346-E348 PolarHBondContact OG-OE1 2.79Å; E348-V389 VanDerWaalsContact OE1-CG1 3.24Å; E348-V389 WeakPolarHBondContact OE1-CG1 2.86Å; E348-D390 HydrophobicContact CG-CB 3.94Å; E348-D390 PolarHBondContact OE1-N 3.41Å; E348-R391 HydrophobicContact CG-CG 4.22Å; E348-R391 IonicContact OE2-NE 3.22Å
349V89.9Confident91.2Very high4 Ų430.6 Ų30.62%0.02417%0.169CC..SBendtrans-86150.6-173-65.30000109.3L345 S346 R351 L354 I388 D390 P406L345-V349 HydrophobicContact CB-CG2 3.9Å; S346-V349 WeakPolarHBondContact O-CG2 3.21Å; V349-R351 VanDerWaalsContact O-CG 3.3Å; V349-R351 WeakPolarHBondContact O-CG 3.44Å; V349-R351 PolarHBondContact O-N 3.47Å; V349-L354 HydrophobicContact CB-CD1 3.66Å; V349-L354 HydrophobicContact CG1-CD1 4.49Å; V349-L354 HydrophobicContact CG2-CD1 3.82Å; V349-I388 HydrophobicContact CG1-CG2 3.99Å; V349-D390 HydrophobicContact CG1-CB 4.22Å; V349-P406 HydrophobicContact CG1-CG 4.43Å
350P90.4Very high91.3Very high55 Ų5527.8 Ų27.836%0.35715%0.146SC..  trans-65.4109176.825.8-29.9000111.7L354P350-L354 WeakPolarHBondContact O-CB 3.42Å; P350-L354 WeakPolarHBondContact O-CD1 3.21Å; P350-L354 VanDerWaalsContact O-CG 3.31Å; P350-L354 WeakPolarHBondContact O-CG 3.33Å; P350-L354 PolarHBondContact O-N 3.21Å
351R88.5Confident91.5Very high54 Ų5424.6 Ų24.620%0.20411%0.113CC..Hα-helixtrans-77.2-46.8-166.5-63.2179.7-114.1-168.7-1.2110.4V349 S353 L354 T355 V371V349-R351 VanDerWaalsContact O-CG 3.3Å; V349-R351 WeakPolarHBondContact O-CG 3.44Å; V349-R351 PolarHBondContact O-N 3.47Å; R351-S353 PolarHBondContact O-N 3.22Å; R351-L354 PolarHBondContact O-N 3.08Å; R351-T355 WeakPolarHBondContact O-CB 3.45Å; R351-T355 PolarHBondContact O-N 3.31Å; R351-T355 PolarHBondContact O-OG1 3.05Å; R351-V371 CovalentContact NH1-CG1 1.45Å
352E89.7Confident91.3Very high24 Ų2424.1 Ų24.111%0.11212%0.117CC..Hα-helixtrans-60.9-42.7-173.9-174.2172.7176.100110.9K163 R179 L292 F356K163-E352 IonicContact NZ-OE2 2.74Å; K163-E352 PolarHBondContact NZ-OE2 3.37Å; R179-E352 IonicContact CZ-OE1 2.77Å; R179-E352 VanDerWaalsContact CZ-OE1 3.29Å; R179-E352 IonicContact CZ-OE2 3.77Å; R179-E352 VanDerWaalsContact NH1-CD 3.32Å; R179-E352 IonicContact NH1-OE1 2.88Å; R179-E352 PolarHBondContact NH1-OE1 3.24Å; R179-E352 IonicContact NH1-OE2 3.68Å; R179-E352 PolarHBondContact NH1-OE2 3.26Å; R179-E352 IonicContact NH2-OE1 3.2Å; R179-E352 PolarHBondContact NH2-OE1 3.02Å; R179-E352 IonicContact NH2-OE2 1.92Å; R179-E352 PolarHBondContact NH2-OE2 3.49Å; L292-E352 HydrophobicContact CD1-CG 4.23Å; E352-F356 VanDerWaalsContact O-CB 3.28Å; E352-F356 WeakPolarHBondContact O-CB 3.44Å; E352-F356 PolarHBondContact O-N 3.25Å
353S92.7Very high91.1Very high13 Ų1321.4 Ų21.49%0.09111%0.105CC..Hα-helixtrans-68.1-42.9-178.3178.40000111.2Y207 R351 T355 F356 V357 Y410Y207-S353 WeakPolarHBondContact OH-CB 3.26Å; Y207-S353 PolarHBondContact OH-OG 3.44Å; R351-S353 PolarHBondContact O-N 3.22Å; S353-T355 VanDerWaalsContact C-N 3.28Å; S353-T355 PolarHBondContact O-N 2.87Å; S353-F356 WeakPolarHBondContact O-CB 3.41Å; S353-F356 PolarHBondContact O-N 3.37Å; S353-V357 VanDerWaalsContact O-CG2 3.23Å; S353-V357 WeakPolarHBondContact O-CG2 3.49Å; S353-V357 PolarHBondContact O-N 2.5Å; S353-Y410 WeakPolarHBondContact CB-OH 3.22Å; S353-Y410 PolarHBondContact OG-OH 3.43Å
354L93.6Very high91Very high0 Ų024.8 Ų24.80%012%0.123CC..Hα-helixtrans-70.9-36.9-177.1-75.4170.9000110.9L345 V349 P350 R351 F356 V357 I358 I388 P406 V409 Y410L345-L354 HydrophobicContact CD1-CB 4.08Å; L345-L354 HydrophobicContact CD2-CB 4.13Å; L345-L354 HydrophobicContact CD2-CD1 3.97Å; V349-L354 HydrophobicContact CB-CD1 3.66Å; V349-L354 HydrophobicContact CG1-CD1 4.49Å; V349-L354 HydrophobicContact CG2-CD1 3.82Å; P350-L354 WeakPolarHBondContact O-CB 3.42Å; P350-L354 WeakPolarHBondContact O-CD1 3.21Å; P350-L354 VanDerWaalsContact O-CG 3.31Å; P350-L354 WeakPolarHBondContact O-CG 3.33Å; P350-L354 PolarHBondContact O-N 3.21Å; R351-L354 PolarHBondContact O-N 3.08Å; L354-F356 PolarHBondContact O-N 2.98Å; L354-V357 PolarHBondContact O-N 3.46Å; L354-I358 HydrophobicContact CB-CD1 4.39Å; L354-I358 VanDerWaalsContact O-CB 3.27Å; L354-I358 WeakPolarHBondContact O-CB 3.38Å; L354-I358 WeakPolarHBondContact O-CD1 3.49Å; L354-I358 WeakPolarHBondContact O-CG1 3.42Å; L354-I358 PolarHBondContact O-N 3.15Å; L354-I388 HydrophobicContact CD1-CG2 4.03Å; L354-P406 HydrophobicContact CD1-CB 4.09Å; L354-P406 HydrophobicContact CD2-CB 4.2Å; L354-V409 HydrophobicContact CD2-CB 4.03Å; L354-V409 HydrophobicContact CD2-CG1 4.25Å; L354-V409 HydrophobicContact CD2-CG2 4.21Å; L354-Y410 HydrophobicContact CD2-CE2 4.12Å
355T92.7Very high90.9Very high2 Ų224.6 Ų24.61%0.01212%0.122CC..Hα-helixtrans-64.3-39.8178.6-61.10000110.4L292 L345 R351 S353 V357 R359 V365 W367L292-T355 HydrophobicContact CB-CG2 3.87Å; L345-T355 WeakPolarHBondContact CD1-OG1 3.4Å; R351-T355 WeakPolarHBondContact O-CB 3.45Å; R351-T355 PolarHBondContact O-N 3.31Å; R351-T355 PolarHBondContact O-OG1 3.05Å; S353-T355 VanDerWaalsContact C-N 3.28Å; S353-T355 PolarHBondContact O-N 2.87Å; T355-V357 VanDerWaalsContact C-N 3.29Å; T355-V357 PolarHBondContact O-N 3.28Å; T355-R359 HydrophobicContact CG2-CG 4.24Å; T355-R359 WeakPolarHBondContact O-CB 3.42Å; T355-R359 WeakPolarHBondContact O-CG 3.3Å; T355-R359 PolarHBondContact O-N 3.26Å; T355-V365 HydrophobicContact CG2-CG1 3.49Å; T355-V365 VanDerWaalsContact CG2-CG1 3.49Å; T355-W367 HydrophobicContact CG2-CZ3 4.34Å
356F93.6Very high90.8Very high2 Ų224.6 Ų24.61%0.00912%0.122CC..Hα-helixtrans-64.2-43.1-179.3170.7-115.9000110.4M186 V189 I190 L195 Y207 W218 L292 E352 S353 L354 A360M186-F356 HydrophobicContact CB-CD2 3.87Å; M186-F356 HydrophobicContact CB-CE2 3.88Å; M186-F356 HydrophobicContact CG-CD2 4.14Å; M186-F356 HydrophobicContact CG-CE2 4.11Å; M186-F356 HydrophobicContact SD-CD2 4.5Å; V189-F356 HydrophobicContact CB-CE2 3.9Å; V189-F356 HydrophobicContact CB-CZ 4.03Å; V189-F356 HydrophobicContact CG1-CE2 3.98Å; V189-F356 HydrophobicContact CG1-CZ 3.72Å; I190-F356 HydrophobicContact CD1-CD2 3.94Å; I190-F356 HydrophobicContact CG1-CD2 3.76Å; I190-F356 HydrophobicContact CG1-CE2 3.98Å; L195-F356 HydrophobicContact CD1-CE1 3.94Å; L195-F356 HydrophobicContact CD1-CZ 4.31Å; L195-F356 HydrophobicContact CD2-CE1 4.38Å; Y207-F356 HydrophobicContact CD1-CD1 4.2Å; Y207-F356 AromaticContact CD1-CE1 3.86Å; Y207-F356 HydrophobicContact CD1-CE1 3.86Å; Y207-F356 AromaticContact CE1-CD1 3.91Å; Y207-F356 HydrophobicContact CE1-CD1 3.91Å; Y207-F356 HydrophobicContact CE1-CE1 4.07Å; Y207-F356 HydrophobicContact CG-CE1 4.13Å; W218-F356 HydrophobicContact CZ2-CZ 4.26Å; L292-F356 HydrophobicContact CD1-CB 4.23Å; E352-F356 VanDerWaalsContact O-CB 3.28Å; E352-F356 WeakPolarHBondContact O-CB 3.44Å; E352-F356 PolarHBondContact O-N 3.25Å; S353-F356 WeakPolarHBondContact O-CB 3.41Å; S353-F356 PolarHBondContact O-N 3.37Å; L354-F356 PolarHBondContact O-N 2.98Å; F356-A360 WeakPolarHBondContact O-CB 3.49Å; F356-A360 PolarHBondContact O-N 3.06Å
357V94Very high90.8Very high0 Ų024.1 Ų24.10%012%0.118CC..Hα-helixtrans-73.8-41.9-175.4174.10000109.7L195 V198 Y207 S353 L354 T355 R359 A360 C361 V409 Y410 V413L195-V357 HydrophobicContact CD2-CB 4.35Å; L195-V357 HydrophobicContact CD2-CG1 4.15Å; L195-V357 HydrophobicContact CD2-CG2 4.17Å; V198-V357 HydrophobicContact CG1-CG2 4.49Å; V198-V357 HydrophobicContact CG2-CG2 4.3Å; Y207-V357 HydrophobicContact CE1-CG2 3.91Å; S353-V357 VanDerWaalsContact O-CG2 3.23Å; S353-V357 WeakPolarHBondContact O-CG2 3.49Å; S353-V357 PolarHBondContact O-N 2.5Å; L354-V357 PolarHBondContact O-N 3.46Å; T355-V357 VanDerWaalsContact C-N 3.29Å; T355-V357 PolarHBondContact O-N 3.28Å; V357-R359 VanDerWaalsContact C-N 3.26Å; V357-R359 PolarHBondContact O-N 3.29Å; V357-A360 PolarHBondContact O-N 3.46Å; V357-C361 PolarHBondContact O-N 3.4Å; V357-C361 VanDerWaalsContact O-N 3.15Å; V357-C361 PolarHBondContact O-SG 2.96Å; V357-V409 HydrophobicContact CB-CG1 4.35Å; V357-V409 HydrophobicContact CG1-CG1 3.77Å; V357-Y410 HydrophobicContact CG2-CD1 4.36Å; V357-Y410 HydrophobicContact CG2-CE1 3.94Å; V357-V413 HydrophobicContact CG1-CB 4.43Å; V357-V413 HydrophobicContact CG1-CG2 3.34Å
358I93.7Very high90.9Very high0 Ų019.6 Ų19.60%011%0.106CC..Hα-helixtrans-67.5-40.4-176.7-67.8172.1000110.1F343 L345 L354 A360 C361 G362 G363 V365 V409F343-I358 HydrophobicContact CB-CD1 3.87Å; F343-I358 HydrophobicContact CB-CG2 4.47Å; F343-I358 HydrophobicContact CD1-CD1 4.15Å; F343-I358 HydrophobicContact CD2-CD1 4.29Å; F343-I358 HydrophobicContact CD2-CG2 3.55Å; F343-I358 HydrophobicContact CE2-CG2 4.03Å; F343-I358 HydrophobicContact CG-CD1 3.86Å; F343-I358 HydrophobicContact CG-CG2 4.18Å; L345-I358 HydrophobicContact CD2-CD1 4.04Å; L354-I358 HydrophobicContact CB-CD1 4.39Å; L354-I358 VanDerWaalsContact O-CB 3.27Å; L354-I358 WeakPolarHBondContact O-CB 3.38Å; L354-I358 WeakPolarHBondContact O-CD1 3.49Å; L354-I358 WeakPolarHBondContact O-CG1 3.42Å; L354-I358 PolarHBondContact O-N 3.15Å; I358-A360 VanDerWaalsContact C-N 3.25Å; I358-A360 PolarHBondContact O-N 3.17Å; I358-C361 PolarHBondContact O-N 3.33Å; I358-C361 VanDerWaalsContact O-N 3.16Å; I358-G362 PolarHBondContact O-N 3.23Å; I358-G363 PolarHBondContact O-N 3.16Å; I358-V365 HydrophobicContact CD1-CG2 4.39Å; I358-V365 HydrophobicContact CG2-CB 4.4Å; I358-V409 HydrophobicContact CG1-CG1 3.94Å
359R91.8Very high90.8Very high30 Ų3021.1 Ų21.111%0.11312%0.122CC..Hα-helixtrans-73.4-34.7-178.4-80.4-92.7176.8134.91.8110.4I190 S293 E294 T355 V357 C361 G362 V365I190-R359 HydrophobicContact CD1-CB 4.15Å; I190-R359 HydrophobicContact CG1-CB 4.34Å; I190-R359 HydrophobicContact CG2-CB 3.75Å; S293-R359 PolarHBondContact O-NE 3.3Å; S293-R359 CovalentContact O-NH1 1.55Å; S293-R359 PolarHBondContact O-NH1 3.42Å; S293-R359 PolarHBondContact O-NH2 3.38Å; E294-R359 VanDerWaalsContact N-NH1 3.16Å; T355-R359 HydrophobicContact CG2-CG 4.24Å; T355-R359 WeakPolarHBondContact O-CB 3.42Å; T355-R359 WeakPolarHBondContact O-CG 3.3Å; T355-R359 PolarHBondContact O-N 3.26Å; V357-R359 VanDerWaalsContact C-N 3.26Å; V357-R359 PolarHBondContact O-N 3.29Å; R359-C361 PolarHBondContact O-N 3.05Å; R359-C361 VanDerWaalsContact O-N 3.17Å; R359-G362 PolarHBondContact O-N 3.29Å; R359-V365 HydrophobicContact CG-CG1 3.94Å
360A91.7Very high90.5Very high3 Ų325.3 Ų25.33%0.02515%0.152CC..Hα-helixtrans-64.2-23179.700000110.7K193 L195 F356 V357 I358K193-A360 WeakPolarHBondContact CG-O 3.31Å; L195-A360 HydrophobicContact CB-CB 3.9Å; L195-A360 HydrophobicContact CD2-CB 3.97Å; F356-A360 WeakPolarHBondContact O-CB 3.49Å; F356-A360 PolarHBondContact O-N 3.06Å; V357-A360 PolarHBondContact O-N 3.46Å; I358-A360 VanDerWaalsContact C-N 3.25Å; I358-A360 PolarHBondContact O-N 3.17Å
361C90.8Very high90Very high1 Ų124.7 Ų24.71%0.00715%0.147CC..THydrogen-bonded Turntrans-100.80-178.5-66.70000110.5Q335 L337 F338 V357 I358 R359Q335-C361 CarbonylContact O-C 3.43Å; Q335-C361 VanDerWaalsContact O-C 3.27Å; L337-C361 HydrophobicContact CB-CB 4.25Å; L337-C361 PolarHBondContact N-O 2.63Å; F338-C361 HydrophobicContact CB-CB 4.38Å; F338-C361 HydrophobicContact CD2-CB 3.27Å; F338-C361 HydrophobicContact CE2-CB 3.86Å; F338-C361 HydrophobicContact CG-CB 4.15Å; F338-C361 PolarHBondContact N-O 3.08Å; F338-C361 VanDerWaalsContact N-O 3.11Å; V357-C361 PolarHBondContact O-N 3.4Å; V357-C361 VanDerWaalsContact O-N 3.15Å; V357-C361 PolarHBondContact O-SG 2.96Å; I358-C361 PolarHBondContact O-N 3.33Å; I358-C361 VanDerWaalsContact O-N 3.16Å; R359-C361 PolarHBondContact O-N 3.05Å; R359-C361 VanDerWaalsContact O-N 3.17Å
362G86.6Confident89.2Confident24 Ų2426.8 Ų26.825%0.24716%0.159CC..THydrogen-bonded Turn010.5000000111.5I358 R359I358-G362 PolarHBondContact O-N 3.23Å; R359-G362 PolarHBondContact O-N 3.29Å
363G89.9Confident88.5Confident2 Ų233.1 Ų33.12%0.02118%0.183CC..  trans-91.7159.9-179.600000111.7F338 I358F338-G363 WeakPolarHBondContact O-CA 3.44Å; I358-G363 PolarHBondContact O-N 3.16Å
364L91Very high87.8Confident72 Ų7233 Ų3338%0.37718%0.184SC..EExtended strand (participates in β ladder)trans-99.8135.6175.7-66172.5000110L341 K342 F343 Y377L341-L364 PolarHBondContact O-N 2.43Å; K342-L364 HydrophobicContact CG-CB 4.25Å; K342-L364 HydrophobicContact CG-CD1 4.14Å; F343-L364 PolarHBondContact N-O 2.65Å; L364-Y377 HydrophobicContact CB-CE1 4.37Å; L364-Y377 PolarHBondContact O-OH 3.3Å; L364-Y377 VanDerWaalsContact O-OH 3.07Å
365V92Very high87.2Confident0 Ų035.2 Ų35.20%020%0.199CC..EExtended strand (participates in β ladder)trans-127.4140.4-174.361.50000107.8L345 T355 I358 R359 W367 S376L345-V365 HydrophobicContact CD1-CG2 3.29Å; L345-V365 HydrophobicContact CD2-CG2 4.2Å; L345-V365 HydrophobicContact CG-CG2 3.45Å; L345-V365 VanDerWaalsContact CG-CG2 3.45Å; T355-V365 HydrophobicContact CG2-CG1 3.49Å; T355-V365 VanDerWaalsContact CG2-CG1 3.49Å; I358-V365 HydrophobicContact CD1-CG2 4.39Å; I358-V365 HydrophobicContact CG2-CB 4.4Å; R359-V365 HydrophobicContact CG-CG1 3.94Å; V365-W367 HydrophobicContact CG1-CZ3 4.28Å; V365-W367 HydrophobicContact CG2-CE3 4.46Å; V365-S376 PolarHBondContact O-OG 3.04Å
366S91.4Very high86.7Confident0 Ų038.3 Ų38.30%022%0.221CC..EExtended strand (participates in β ladder)trans-143158.3176-176.70000109.4F343 F344 L345 S376 Y377F343-S366 PolarHBondContact O-N 2.71Å; F344-S366 WeakPolarHBondContact CA-O 3.22Å; L345-S366 PolarHBondContact N-O 2.87Å; S366-S376 WeakPolarHBondContact CB-OG 3.17Å; S366-S376 PolarHBondContact OG-N 2.9Å; S366-S376 PolarHBondContact OG-OG 3.16Å; S366-Y377 PolarHBondContact N-OH 3.23Å; S366-Y377 PolarHBondContact OG-N 2.71Å; S366-Y377 PolarHBondContact OG-O 2.77Å
367W90Very high86.5Confident6 Ų639.1 Ų39.12%0.02323%0.225CC..EExtended strand (participates in β ladder)trans-139.6178.7176.55188.5000109.6S291 T355 V365 S369 E372 Y373 G374 S375S291-W367 WeakPolarHBondContact O-CH2 3.2Å; T355-W367 HydrophobicContact CG2-CZ3 4.34Å; V365-W367 HydrophobicContact CG1-CZ3 4.28Å; V365-W367 HydrophobicContact CG2-CE3 4.46Å; W367-S369 PolarHBondContact O-N 2.99Å; W367-E372 PolarHBondContact NE1-O 3.17Å; W367-Y373 WeakPolarHBondContact CZ2-O 3.42Å; W367-Y373 PolarHBondContact NE1-O 2.85Å; W367-G374 WeakPolarHBondContact CH2-O 3.39Å; W367-G374 VanDerWaalsContact CZ2-C 3.41Å; W367-G374 VanDerWaalsContact CZ2-O 3.3Å; W367-G374 WeakPolarHBondContact CZ2-O 3.4Å; W367-S375 VanDerWaalsContact O-CB 3.23Å; W367-S375 WeakPolarHBondContact O-CB 3.41Å
368D88.7Confident86.3Confident64 Ų6443 Ų4334%0.34225%0.249SC..  trans-68.3135-178.3-168.727.2000110.8S370 V371D368-S370 PolarHBondContact O-N 3.2Å; D368-S370 VanDerWaalsContact O-N 3.08Å; D368-S370 PolarHBondContact OD2-OG 3.39Å; D368-V371 HydrophobicContact CB-CG2 3.97Å; D368-V371 PolarHBondContact O-N 2.46Å; D368-V371 VanDerWaalsContact O-N 3.17Å
369S84.6Confident85.8Confident87 Ų8745.9 Ų45.961%0.60826%0.263SS*.THydrogen-bonded Turntrans-61.5-17.3-175.157.40000111.2W367 V371W367-S369 PolarHBondContact O-N 2.99Å; S369-V371 VanDerWaalsContact C-N 3.32Å
370S83.1Confident85.5Confident92 Ų9248.5 Ų48.564%0.64329%0.286SS*.THydrogen-bonded Turntrans-82.2-19.9-176.566.10000111D368D368-S370 PolarHBondContact O-N 3.2Å; D368-S370 VanDerWaalsContact O-N 3.08Å; D368-S370 PolarHBondContact OD2-OG 3.39Å
371V79.3Confident85.3Confident43 Ų4350.8 Ų50.826%0.26130%0.298SS..THydrogen-bonded Turntrans-83.20-171.1-179.90000109.4R347 R351 D368 S369R347-V371 HydrophobicContact CB-CG2 4.36Å; R351-V371 CovalentContact NH1-CG1 1.45Å; D368-V371 HydrophobicContact CB-CG2 3.97Å; D368-V371 PolarHBondContact O-N 2.46Å; D368-V371 VanDerWaalsContact O-N 3.17Å; S369-V371 VanDerWaalsContact C-N 3.32Å
372E72Confident85.1Confident97 Ų9758.4 Ų58.445%0.45333%0.333SS..  0168.20-80.2179.9-173.600109.5W367W367-E372 PolarHBondContact NE1-O 3.17Å
373Y76.3Confident85.3Confident158 Ų15860.4 Ų60.462%0.6234%0.341SS*.SBendtrans-72.1146.3179.3-64.7-86.1000110.2E287 S291 W367E287-Y373 HydrophobicContact CB-CD2 4.25Å; S291-Y373 WeakPolarHBondContact CB-O 3.29Å; W367-Y373 WeakPolarHBondContact CZ2-O 3.42Å; W367-Y373 PolarHBondContact NE1-O 2.85Å
374G77.1Confident85.3Confident10 Ų1060.4 Ų60.410%0.10334%0.34CS..  trans111.817169.400000111.2S293 W367S293-G374 WeakPolarHBondContact CB-O 3.49Å; S293-G374 PolarHBondContact OG-O 3.12Å; W367-G374 WeakPolarHBondContact CH2-O 3.39Å; W367-G374 VanDerWaalsContact CZ2-C 3.41Å; W367-G374 VanDerWaalsContact CZ2-O 3.3Å; W367-G374 WeakPolarHBondContact CZ2-O 3.4Å
375S81.7Confident85.4Confident46 Ų4659 Ų5932%0.32234%0.335SS..  trans-78.4128.9177.664.80000111.1W367W367-S375 VanDerWaalsContact O-CB 3.23Å; W367-S375 WeakPolarHBondContact O-CB 3.41Å
376S81.7Confident85.4Confident68 Ų6860.1 Ų60.148%0.47634%0.34SS..  trans-88.8-39.9-17855.60000111V365 S366V365-S376 PolarHBondContact O-OG 3.04Å; S366-S376 WeakPolarHBondContact CB-OG 3.17Å; S366-S376 PolarHBondContact OG-N 2.9Å; S366-S376 PolarHBondContact OG-OG 3.16Å
377Y89Confident85.5Confident19 Ų1960.3 Ų60.38%0.07534%0.341CS..SBendtrans-143.80-179.442.3-95.2000109.4F343 F344 L364 S366 I384F343-Y377 PolarHBondContact N-OH 3.44Å; F343-Y377 PolarHBondContact O-OH 3.43Å; F344-Y377 HydrophobicContact CD2-CD2 4.44Å; F344-Y377 HydrophobicContact CD2-CE2 4.25Å; L364-Y377 HydrophobicContact CB-CE1 4.37Å; L364-Y377 PolarHBondContact O-OH 3.3Å; L364-Y377 VanDerWaalsContact O-OH 3.07Å; S366-Y377 PolarHBondContact N-OH 3.23Å; S366-Y377 PolarHBondContact OG-N 2.71Å; S366-Y377 PolarHBondContact OG-O 2.77Å; Y377-I384 HydrophobicContact CD2-CD1 4.06Å; Y377-I384 HydrophobicContact CD2-CG1 4.01Å; Y377-I384 HydrophobicContact CE2-CD1 4.13Å; Y377-I384 HydrophobicContact CE2-CG1 3.85Å
378P89Confident85.7Confident80 Ų8060 Ų6052%0.51934%0.34SS..  0165.8029.4-34.1000111.8S380 D381P378-S380 PolarHBondContact O-N 3.46Å; P378-S380 VanDerWaalsContact O-N 3.16Å; P378-D381 WeakPolarHBondContact O-CB 3.42Å; P378-D381 PolarHBondContact O-N 3.47Å
379E85Confident85.8Confident62 Ų6257.1 Ų57.129%0.2932%0.324SS..THydrogen-bonded Turntrans-62.1-18-177.6-174.8177.6178.300111.1F344 D381 F398 R401F344-E379 HydrophobicContact CD1-CG 4.28Å; F344-E379 HydrophobicContact CE1-CB 3.8Å; F344-E379 HydrophobicContact CE1-CG 3.69Å; F344-E379 VanDerWaalsContact CE2-CA 3.43Å; F344-E379 HydrophobicContact CE2-CB 3.82Å; F344-E379 HydrophobicContact CE2-CG 4.45Å; F344-E379 HydrophobicContact CZ-CB 3.32Å; F344-E379 HydrophobicContact CZ-CG 3.79Å; E379-D381 PolarHBondContact O-N 3.32Å; E379-F398 HydrophobicContact CG-CE2 4.17Å; E379-R401 PolarHBondContact O-NH1 3.18Å
380S84.7Confident86Confident85 Ų8557.2 Ų57.259%0.59432%0.318SS*.THydrogen-bonded Turntrans-86.83-174.856.30000110.9P378 E382P378-S380 PolarHBondContact O-N 3.46Å; P378-S380 VanDerWaalsContact O-N 3.16Å; S380-E382 PolarHBondContact O-N 2.7Å
381D87.7Confident86Confident50 Ų5058.6 Ų58.627%0.26731%0.309SS..  trans-77.5131.9-175.9-165.73.6000109.7P378 E379 T383 I384P378-D381 WeakPolarHBondContact O-CB 3.42Å; P378-D381 PolarHBondContact O-N 3.47Å; E379-D381 PolarHBondContact O-N 3.32Å; D381-T383 PolarHBondContact O-N 3.16Å; D381-T383 PolarHBondContact OD1-OG1 3.45Å; D381-T383 PolarHBondContact OD2-OG1 3.36Å; D381-I384 HydrophobicContact CB-CD1 4.1Å; D381-I384 HydrophobicContact CB-CG1 4.19Å; D381-I384 WeakPolarHBondContact O-CD1 2.97Å; D381-I384 WeakPolarHBondContact O-CG1 3Å
382E86.9Confident85.9Confident161 Ų16161.8 Ų61.875%0.75233%0.331SS*.THydrogen-bonded Turntrans-79.8-9.3-175.4-68.9-178.1177.300110.6S380 I384 N400S380-E382 PolarHBondContact O-N 2.7Å; E382-I384 PolarHBondContact O-N 3.12Å; E382-N400 VanDerWaalsContact CA-ND2 3.29Å; E382-N400 WeakPolarHBondContact CA-ND2 3.43Å; E382-N400 PolarHBondContact O-ND2 2.9Å
383T89.7Confident86Confident66 Ų6663.9 Ų63.941%0.40535%0.345SS..THydrogen-bonded Turntrans-82.7-2.2-175.857.90000109.8K342 D381 T385K342-T383 WeakPolarHBondContact CD-OG1 3.39Å; K342-T383 PolarHBondContact NZ-OG1 3.25Å; D381-T383 PolarHBondContact O-N 3.16Å; D381-T383 PolarHBondContact OD1-OG1 3.45Å; D381-T383 PolarHBondContact OD2-OG1 3.36Å; T383-T385 PolarHBondContact O-N 3.38Å
384I91.5Very high85.8Confident3 Ų358.8 Ų58.82%0.01533%0.327CS..  trans-77.6130.7-176.4-64.4169.7000108.6F344 Y377 D381 E382F344-I384 HydrophobicContact CB-CD1 4.06Å; F344-I384 HydrophobicContact CB-CG2 3.84Å; F344-I384 HydrophobicContact CD2-CD1 3.88Å; F344-I384 HydrophobicContact CG-CD1 4.19Å; Y377-I384 HydrophobicContact CD2-CD1 4.06Å; Y377-I384 HydrophobicContact CD2-CG1 4.01Å; Y377-I384 HydrophobicContact CE2-CD1 4.13Å; Y377-I384 HydrophobicContact CE2-CG1 3.85Å; D381-I384 HydrophobicContact CB-CD1 4.1Å; D381-I384 HydrophobicContact CB-CG1 4.19Å; D381-I384 WeakPolarHBondContact O-CD1 2.97Å; D381-I384 WeakPolarHBondContact O-CG1 3Å; E382-I384 PolarHBondContact O-N 3.12Å
385T91.9Very high85.3Confident43 Ų4366.5 Ų66.526%0.26437%0.365SS..  trans-95.70-176.953.40000110L341 K342 T383 R401 S402L341-T385 HydrophobicContact CD2-CG2 4.22Å; K342-T385 PolarHBondContact N-OG1 3.4Å; K342-T385 VanDerWaalsContact N-OG1 3.16Å; K342-T385 PolarHBondContact O-N 3.11Å; K342-T385 PolarHBondContact O-OG1 3.3Å; T383-T385 PolarHBondContact O-N 3.38Å; T385-R401 WeakPolarHBondContact O-CA 3.29Å; T385-S402 PolarHBondContact O-N 3.47Å
386H93.1Very high84.9Confident22 Ų2268 Ų6810%0.10237%0.372CS..EExtended strand (participates in β ladder)0132.10-63.778.7000109.8K342 F343 F344 S402 W408K342-H386 PolarHBondContact O-N 3.14Å; K342-H386 VanDerWaalsContact O-N 3.12Å; F343-H386 CarbonylContact C-O 3.55Å; F343-H386 VanDerWaalsContact CA-O 3.29Å; F343-H386 WeakPolarHBondContact CA-O 3.2Å; F343-H386 HydrophobicContact CD1-CB 3.55Å; F343-H386 HydrophobicContact CE1-CB 3.54Å; F343-H386 AromaticContact CE1-CG 3.91Å; F343-H386 HydrophobicContact CG-CB 4.42Å; F343-H386 HydrophobicContact CZ-CB 4.4Å; F344-H386 PolarHBondContact N-O 3.28Å; H386-S402 WeakPolarHBondContact CA-O 3.41Å; H386-W408 AromaticContact CD2-CH2 3.82Å; H386-W408 AromaticContact NE2-CH2 3.8Å
387Q92.7Very high84.7Confident5 Ų569.3 Ų69.32%0.02338%0.381CS..EExtended strand (participates in β ladder)trans-113.4122.2173.4-175.8169-8.100109.7F344 V389 S402 Y403 V404F344-Q387 HydrophobicContact CB-CG 4.33Å; F344-Q387 HydrophobicContact CD1-CG 4.12Å; F344-Q387 CarbonylContact O-C 3.5Å; F344-Q387 WeakPolarHBondContact O-CA 3.45Å; Q387-V389 HydrophobicContact CG-CG2 3.66Å; Q387-S402 PolarHBondContact N-O 3.01Å; Q387-Y403 HydrophobicContact CB-CD1 3.91Å; Q387-Y403 HydrophobicContact CB-CE1 4.05Å; Q387-Y403 HydrophobicContact CG-CD1 4.06Å; Q387-Y403 HydrophobicContact CG-CE1 4.02Å; Q387-Y403 VanDerWaalsContact O-CA 3.32Å; Q387-Y403 WeakPolarHBondContact O-CA 3.18Å; Q387-Y403 PolarHBondContact OE1-OH 3.3Å; Q387-V404 PolarHBondContact O-N 3.23Å
388I93.9Very high84.5Confident0 Ų072 Ų720%039%0.393CS..EExtended strand (participates in β ladder)trans-93.1117.7-176.9-54.3-64.2000109.2F343 F344 L345 S346 V349 L354 V404 P406 V409F343-I388 HydrophobicContact CD1-CD1 4.14Å; F343-I388 HydrophobicContact CD1-CG1 4.14Å; F343-I388 HydrophobicContact CE1-CD1 4.38Å; F344-I388 PolarHBondContact O-N 2.8Å; L345-I388 HydrophobicContact CD2-CB 3.93Å; L345-I388 HydrophobicContact CD2-CG1 3.84Å; S346-I388 WeakPolarHBondContact CB-O 3.15Å; S346-I388 PolarHBondContact N-O 2.81Å; S346-I388 VanDerWaalsContact N-O 3.17Å; S346-I388 PolarHBondContact OG-O 3.41Å; V349-I388 HydrophobicContact CG1-CG2 3.99Å; L354-I388 HydrophobicContact CD1-CG2 4.03Å; I388-V404 CarbonylContact C-O 3.59Å; I388-V404 WeakPolarHBondContact CA-O 3.38Å; I388-V404 HydrophobicContact CD1-CB 4.38Å; I388-V404 HydrophobicContact CD1-CG2 2.99Å; I388-V404 HydrophobicContact CG1-CG2 4.37Å; I388-P406 HydrophobicContact CG2-CB 3.87Å; I388-P406 HydrophobicContact CG2-CG 4.45Å; I388-V409 HydrophobicContact CD1-CG2 3.87Å
389V91.3Very high84.2Confident2 Ų276.6 Ų76.61%0.01241%0.412CS..  trans-134.8144.7-176.1179.40000108.4S346 E348 Q387 R391 Q394 Y403 V404 Q405 L426S346-V389 WeakPolarHBondContact OG-CG2 3.48Å; E348-V389 VanDerWaalsContact OE1-CG1 3.24Å; E348-V389 WeakPolarHBondContact OE1-CG1 2.86Å; Q387-V389 HydrophobicContact CG-CG2 3.66Å; V389-R391 HydrophobicContact CG1-CB 4.27Å; V389-Q394 HydrophobicContact CG1-CG 3.77Å; V389-Q394 HydrophobicContact CG2-CG 4.5Å; V389-Y403 HydrophobicContact CG2-CD1 3.96Å; V389-V404 PolarHBondContact N-O 2.6Å; V389-Q405 WeakPolarHBondContact O-CA 3.44Å; V389-L426 HydrophobicContact CB-CD1 4.25Å; V389-L426 HydrophobicContact CB-CD2 3.89Å; V389-L426 HydrophobicContact CG1-CD1 4.27Å; V389-L426 HydrophobicContact CG1-CD2 4.11Å; V389-L426 WeakPolarHBondContact O-CD2 3.5Å
390D87.7Confident84.2Confident90 Ų9077.5 Ų77.548%0.48142%0.419SS..  trans-119.54177.7-1649.6000110E348 V349E348-D390 HydrophobicContact CG-CB 3.94Å; E348-D390 PolarHBondContact OE1-N 3.41Å; V349-D390 HydrophobicContact CG1-CB 4.22Å
391R84.4Confident84.4Confident121 Ų12174.2 Ų74.246%0.45739%0.393SS..  trans-91.4141.4179-72.8-175.9-173.9-120.91.3109.5E348 V389 N393E348-R391 HydrophobicContact CG-CG 4.22Å; E348-R391 IonicContact OE2-NE 3.22Å; V389-R391 HydrophobicContact CG1-CB 4.27Å; R391-N393 PolarHBondContact O-N 3.27Å
392P76.4Confident84.5Confident110 Ų11073.7 Ų73.771%0.71439%0.394SS*.SBendtrans-69-22.2-17721.5-29.6000111.8
393N73.6Confident84.7Confident141 Ų14167.3 Ų67.375%0.75436%0.363SS*.  trans-128.6114.6-179.6-70.2-17.1000110.2R391R391-N393 PolarHBondContact O-N 3.27Å
394Q72.6Confident84.9Confident51 Ų5164.1 Ų64.124%0.23834%0.343CS..  trans-96133.3175-71.7-166.4-29.800109.9V389 T396 L426V389-Q394 HydrophobicContact CG1-CG 3.77Å; V389-Q394 HydrophobicContact CG2-CG 4.5Å; Q394-T396 VanDerWaalsContact C-N 3.29Å; Q394-L426 HydrophobicContact CG-CD1 3.76Å
395L67Low84.9Confident172 Ų17265 Ų6590%0.90135%0.347SS*.SBendtrans-71.6-28.2-178.1-71.2155000110.6
396T73.7Confident85Confident78 Ų7863.8 Ų63.848%0.47934%0.34SS..  trans-138.7117-177.852.10000108.9Q394 Y403Q394-T396 VanDerWaalsContact C-N 3.29Å; T396-Y403 PolarHBondContact O-OH 3.34Å
397S77.9Confident85Confident95 Ų9564.5 Ų64.566%0.66434%0.343SS*.  trans-110.9132.117760.50000109.9Y403S397-Y403 WeakPolarHBondContact CA-OH 3.39Å
398F83.2Confident85.1Confident74 Ų7464.4 Ų64.433%0.32534%0.343SS..  trans-98.4139.7177-66-81.2000108.7E379 N400 R401 Y403E379-F398 HydrophobicContact CG-CE2 4.17Å; F398-N400 VanDerWaalsContact C-N 3.25Å; F398-N400 WeakPolarHBondContact CB-OD1 3.49Å; F398-N400 PolarHBondContact O-N 2.88Å; F398-R401 HydrophobicContact CB-CG 3.61Å; F398-R401 CovalentContact CD2-NH2 0.63Å; F398-R401 CovalentContact CE2-NH2 1.35Å; F398-R401 WeakPolarHBondContact O-CG 3.38Å; F398-Y403 PolarHBondContact N-OH 3.18Å
399I82.7Confident85.1Confident178 Ų17864.4 Ų64.491%0.91334%0.343SS*.THydrogen-bonded Turntrans-74.9-24.8-173.5-67.5167.9000109.5R401I399-R401 PolarHBondContact O-N 3.39Å; I399-R401 VanDerWaalsContact O-N 3.16Å
400N85.9Confident85.2Confident81 Ų8165 Ų6543%0.43335%0.345SS..THydrogen-bonded Turntrans-88.710-172.654.7-25.8000111.4E382 F398E382-N400 VanDerWaalsContact CA-ND2 3.29Å; E382-N400 WeakPolarHBondContact CA-ND2 3.43Å; E382-N400 PolarHBondContact O-ND2 2.9Å; F398-N400 VanDerWaalsContact C-N 3.25Å; F398-N400 WeakPolarHBondContact CB-OD1 3.49Å; F398-N400 PolarHBondContact O-N 2.88Å
401R88.8Confident85.4Confident16 Ų1661.3 Ų61.36%0.0633%0.325CS..SBendtrans-133.1154.2-174.459.1-179.9123.7-166.6-0.1109.2E379 T385 F398 I399 Y403E379-R401 PolarHBondContact O-NH1 3.18Å; T385-R401 WeakPolarHBondContact O-CA 3.29Å; F398-R401 HydrophobicContact CB-CG 3.61Å; F398-R401 CovalentContact CD2-NH2 0.63Å; F398-R401 CovalentContact CE2-NH2 1.35Å; F398-R401 WeakPolarHBondContact O-CG 3.38Å; I399-R401 PolarHBondContact O-N 3.39Å; I399-R401 VanDerWaalsContact O-N 3.16Å; R401-Y403 WeakPolarHBondContact CD-OH 3.27Å; R401-Y403 HydrophobicContact CG-CD2 4.17Å; R401-Y403 HydrophobicContact CG-CE1 4.45Å; R401-Y403 HydrophobicContact CG-CE2 3.47Å; R401-Y403 VanDerWaalsContact CG-CE2 3.47Å; R401-Y403 PolarHBondContact NE-OH 3.36Å
402S90.3Very high85.8Confident39 Ų3955.5 Ų55.527%0.27330%0.303SS..EExtended strand (participates in β ladder)trans-103124.4176.3-61.50000110.5T385 H386 Q387T385-S402 PolarHBondContact O-N 3.47Å; H386-S402 WeakPolarHBondContact CA-O 3.41Å; Q387-S402 PolarHBondContact N-O 3.01Å
403Y91.1Very high86.5Confident26 Ų2650.3 Ų50.310%0.10227%0.27CS..EExtended strand (participates in β ladder)trans-91.5118178.7-68.5-90.8000109.7Q387 V389 T396 S397 F398 R401 F425 L426Q387-Y403 HydrophobicContact CB-CD1 3.91Å; Q387-Y403 HydrophobicContact CB-CE1 4.05Å; Q387-Y403 HydrophobicContact CG-CD1 4.06Å; Q387-Y403 HydrophobicContact CG-CE1 4.02Å; Q387-Y403 VanDerWaalsContact O-CA 3.32Å; Q387-Y403 WeakPolarHBondContact O-CA 3.18Å; Q387-Y403 PolarHBondContact OE1-OH 3.3Å; V389-Y403 HydrophobicContact CG2-CD1 3.96Å; T396-Y403 PolarHBondContact O-OH 3.34Å; S397-Y403 WeakPolarHBondContact CA-OH 3.39Å; F398-Y403 PolarHBondContact N-OH 3.18Å; R401-Y403 WeakPolarHBondContact CD-OH 3.27Å; R401-Y403 HydrophobicContact CG-CD2 4.17Å; R401-Y403 HydrophobicContact CG-CE1 4.45Å; R401-Y403 HydrophobicContact CG-CE2 3.47Å; R401-Y403 VanDerWaalsContact CG-CE2 3.47Å; R401-Y403 PolarHBondContact NE-OH 3.36Å; Y403-F425 WeakPolarHBondContact O-CD1 3.34Å; Y403-L426 HydrophobicContact CG-CD1 4.49Å
404V93.1Very high87.2Confident0 Ų045.5 Ų45.50%024%0.244CC..EExtended strand (participates in β ladder)trans-132.8154.6-174.2-66.80000108.2Q387 I388 V389 W408 V421 F425Q387-V404 PolarHBondContact O-N 3.23Å; I388-V404 CarbonylContact C-O 3.59Å; I388-V404 WeakPolarHBondContact CA-O 3.38Å; I388-V404 HydrophobicContact CD1-CB 4.38Å; I388-V404 HydrophobicContact CD1-CG2 2.99Å; I388-V404 HydrophobicContact CG1-CG2 4.37Å; V389-V404 PolarHBondContact N-O 2.6Å; V404-W408 HydrophobicContact CB-CB 4.35Å; V404-W408 HydrophobicContact CG2-CE3 4.1Å; V404-V421 HydrophobicContact CG1-CB 3.89Å; V404-V421 HydrophobicContact CG1-CG1 4.11Å; V404-F425 HydrophobicContact CG1-CD1 4.44Å; V404-F425 HydrophobicContact CG1-CE1 4.41Å
405Q92.6Very high87.8Confident22 Ų2243.7 Ų43.710%0.10324%0.238CC..  trans-81.3156.3176.8-69.6-175.642.300110.2V389 Q407 W408 Y424 F425 L426 L430V389-Q405 WeakPolarHBondContact O-CA 3.44Å; Q405-Q407 PolarHBondContact O-N 3.35Å; Q405-Q407 VanDerWaalsContact O-N 3.07Å; Q405-W408 WeakPolarHBondContact O-CB 3.44Å; Q405-W408 PolarHBondContact O-N 3.23Å; Q405-W408 VanDerWaalsContact O-N 3.15Å; Q405-Y424 PolarHBondContact N-O 3.33Å; Q405-F425 PolarHBondContact NE2-O 2.99Å; Q405-F425 VanDerWaalsContact NE2-O 3.15Å; Q405-L426 HydrophobicContact CG-CD2 4.15Å; Q405-L430 HydrophobicContact CB-CD2 4.05Å; Q405-L430 VanDerWaalsContact CD-CD2 3.44Å; Q405-L430 HydrophobicContact CG-CD2 4.22Å; Q405-L430 VanDerWaalsContact OE1-CG 3.26Å
406P93.2Very high88.7Confident17 Ų1736.1 Ų36.111%0.1120%0.202CC..THydrogen-bonded Turntrans-61.5-22.6-173.817.2-29.5000112V349 L354 I388 W408 V409 Y410V349-P406 HydrophobicContact CG1-CG 4.43Å; L354-P406 HydrophobicContact CD1-CB 4.09Å; L354-P406 HydrophobicContact CD2-CB 4.2Å; I388-P406 HydrophobicContact CG2-CB 3.87Å; I388-P406 HydrophobicContact CG2-CG 4.45Å; P406-W408 PolarHBondContact O-N 3.05Å; P406-V409 PolarHBondContact O-N 3.2Å; P406-Y410 WeakPolarHBondContact O-CD2 3.32Å
407Q93.3Very high89.3Confident36 Ų3634.9 Ų34.917%0.16819%0.192CC..Hα-helixtrans-61.6-26.9-179.2-173.9169.6-20.800111.2Q405 V409 Y410 D411 Y424 P431Q405-Q407 PolarHBondContact O-N 3.35Å; Q405-Q407 VanDerWaalsContact O-N 3.07Å; Q407-V409 PolarHBondContact O-N 3.46Å; Q407-Y410 PolarHBondContact O-N 3.44Å; Q407-D411 PolarHBondContact O-N 3.46Å; Q407-Y424 HydrophobicContact CB-CD1 4.14Å; Q407-Y424 HydrophobicContact CB-CE1 4.09Å; Q407-Y424 HydrophobicContact CG-CD1 4.4Å; Q407-Y424 HydrophobicContact CG-CE1 3.85Å; Q407-P431 PolarHBondContact NE2-O 3.48Å
408W94.2Very high89.9Confident4 Ų434.1 Ų34.12%0.01518%0.18CC..Hα-helixtrans-62.2-38.1-178.8-179.176.3000111.2F338 F343 H386 V404 Q405 P406 Y410 D411 C412 L418 L419 V421 Y424F338-W408 HydrophobicContact CE1-CH2 4.1Å; F338-W408 HydrophobicContact CE1-CZ3 4.09Å; F343-W408 HydrophobicContact CE1-CE3 4.24Å; F343-W408 HydrophobicContact CE1-CH2 4.34Å; F343-W408 AromaticContact CE1-CZ3 3.43Å; F343-W408 HydrophobicContact CE1-CZ3 3.43Å; F343-W408 VanDerWaalsContact CE1-CZ3 3.43Å; F343-W408 HydrophobicContact CZ-CH2 4.25Å; F343-W408 AromaticContact CZ-CZ3 3.66Å; F343-W408 HydrophobicContact CZ-CZ3 3.66Å; H386-W408 AromaticContact CD2-CH2 3.82Å; H386-W408 AromaticContact NE2-CH2 3.8Å; V404-W408 HydrophobicContact CB-CB 4.35Å; V404-W408 HydrophobicContact CG2-CE3 4.1Å; Q405-W408 WeakPolarHBondContact O-CB 3.44Å; Q405-W408 PolarHBondContact O-N 3.23Å; Q405-W408 VanDerWaalsContact O-N 3.15Å; P406-W408 PolarHBondContact O-N 3.05Å; W408-Y410 VanDerWaalsContact C-N 3.28Å; W408-Y410 PolarHBondContact O-N 3.14Å; W408-D411 PolarHBondContact O-N 3.14Å; W408-C412 PolarHBondContact NE1-SG 3.18Å; W408-C412 VanDerWaalsContact O-CB 3.27Å; W408-C412 WeakPolarHBondContact O-CB 3.21Å; W408-C412 PolarHBondContact O-N 3.45Å; W408-C412 PolarHBondContact O-SG 2.82Å; W408-L418 HydrophobicContact CH2-CD2 4.22Å; W408-L418 HydrophobicContact CZ2-CD2 4.32Å; W408-L419 PolarHBondContact NE1-O 3.32Å; W408-V421 HydrophobicContact CZ2-CG1 3.93Å; W408-Y424 HydrophobicContact CB-CD1 3.87Å; W408-Y424 HydrophobicContact CB-CD2 4.29Å; W408-Y424 HydrophobicContact CB-CE1 4.47Å; W408-Y424 HydrophobicContact CB-CG 3.78Å; W408-Y424 AromaticContact CD1-CD2 3.43Å; W408-Y424 VanDerWaalsContact CD1-CD2 3.43Å; W408-Y424 AromaticContact CD1-CE2 3.87Å; W408-Y424 AromaticContact CD1-CG 3.8Å; W408-Y424 HydrophobicContact CG-CD2 4.25Å; W408-Y424 HydrophobicContact CG-CG 4.19Å
409V93.9Very high90.1Very high0 Ų031.1 Ų31.10%017%0.167CC..Hα-helixtrans-69.4-39.9-176.7174.60000109.6F338 F343 L354 V357 I358 I388 P406 Q407 D411 C412 V413F338-V409 HydrophobicContact CE2-CG1 4.21Å; F338-V409 HydrophobicContact CZ-CG1 4.31Å; F343-V409 HydrophobicContact CE1-CG2 4.49Å; L354-V409 HydrophobicContact CD2-CB 4.03Å; L354-V409 HydrophobicContact CD2-CG1 4.25Å; L354-V409 HydrophobicContact CD2-CG2 4.21Å; V357-V409 HydrophobicContact CB-CG1 4.35Å; V357-V409 HydrophobicContact CG1-CG1 3.77Å; I358-V409 HydrophobicContact CG1-CG1 3.94Å; I388-V409 HydrophobicContact CD1-CG2 3.87Å; P406-V409 PolarHBondContact O-N 3.2Å; Q407-V409 PolarHBondContact O-N 3.46Å; V409-D411 VanDerWaalsContact C-N 3.31Å; V409-D411 PolarHBondContact O-N 3.36Å; V409-C412 PolarHBondContact O-N 3.25Å; V409-V413 WeakPolarHBondContact O-CG2 3.43Å; V409-V413 PolarHBondContact O-N 2.79Å; V409-V413 VanDerWaalsContact O-N 3.16Å
410Y93.8Very high90.4Very high13 Ų1325.9 Ų25.95%0.05114%0.144CC..Hα-helixtrans-71.7-40.5-177.3-65.5-62.5000110.9V198 V200 S353 L354 V357 P406 Q407 W408 C412 V413 N414V198-Y410 HydrophobicContact CB-CD1 4.16Å; V198-Y410 HydrophobicContact CG1-CD1 3.23Å; V198-Y410 HydrophobicContact CG1-CE1 3.66Å; V198-Y410 HydrophobicContact CG1-CG 4.25Å; V200-Y410 HydrophobicContact CG2-CD1 4.1Å; V200-Y410 HydrophobicContact CG2-CD2 3.74Å; V200-Y410 HydrophobicContact CG2-CE1 4.06Å; V200-Y410 HydrophobicContact CG2-CE2 3.71Å; V200-Y410 HydrophobicContact CG2-CG 3.95Å; S353-Y410 WeakPolarHBondContact CB-OH 3.22Å; S353-Y410 PolarHBondContact OG-OH 3.43Å; L354-Y410 HydrophobicContact CD2-CE2 4.12Å; V357-Y410 HydrophobicContact CG2-CD1 4.36Å; V357-Y410 HydrophobicContact CG2-CE1 3.94Å; P406-Y410 WeakPolarHBondContact O-CD2 3.32Å; Q407-Y410 PolarHBondContact O-N 3.44Å; W408-Y410 VanDerWaalsContact C-N 3.28Å; W408-Y410 PolarHBondContact O-N 3.14Å; Y410-C412 PolarHBondContact O-N 2.99Å; Y410-V413 PolarHBondContact O-N 2.93Å; Y410-N414 PolarHBondContact O-N 3.41Å; Y410-N414 VanDerWaalsContact O-N 3.12Å; Y410-N414 PolarHBondContact O-ND2 3.15Å
411D91.9Very high90.6Very high13 Ų1323.1 Ų23.17%0.0713%0.131CC..Hα-helixtrans-68.2-33.3-179.5-76.85.5000111.2Q407 W408 V409 V413 N414 A415 L419 Y424 H433Q407-D411 PolarHBondContact O-N 3.46Å; W408-D411 PolarHBondContact O-N 3.14Å; V409-D411 VanDerWaalsContact C-N 3.31Å; V409-D411 PolarHBondContact O-N 3.36Å; D411-V413 PolarHBondContact O-N 3.22Å; D411-N414 PolarHBondContact O-N 3.24Å; D411-A415 VanDerWaalsContact O-CB 3.32Å; D411-A415 WeakPolarHBondContact O-CB 2.32Å; D411-A415 PolarHBondContact O-N 3.17Å; D411-L419 HydrophobicContact CB-CD1 3.43Å; D411-L419 VanDerWaalsContact CB-CD1 3.43Å; D411-Y424 WeakPolarHBondContact CB-OH 3.17Å; D411-Y424 WeakPolarHBondContact OD2-CE1 3.36Å; D411-Y424 PolarHBondContact OD2-OH 2.92Å; D411-H433 IonicContact OD1-CE1 1.45Å; D411-H433 PolarHBondContact OD1-CE1 2.79Å; D411-H433 VanDerWaalsContact OD1-CE1 3.3Å; D411-H433 IonicContact OD1-ND1 1.57Å; D411-H433 PolarHBondContact OD1-ND1 2.84Å
412C91.8Very high90.7Very high0 Ų028 Ų280%015%0.154CC..Hα-helixtrans-66.6-36.1178.5-71.50000111.2L337 F338 W408 V409 Y410 N414 A415 G416 L417L337-C412 HydrophobicContact CD2-CB 4Å; F338-C412 HydrophobicContact CE1-CB 4.41Å; F338-C412 HydrophobicContact CZ-CB 4.01Å; W408-C412 PolarHBondContact NE1-SG 3.18Å; W408-C412 VanDerWaalsContact O-CB 3.27Å; W408-C412 WeakPolarHBondContact O-CB 3.21Å; W408-C412 PolarHBondContact O-N 3.45Å; W408-C412 PolarHBondContact O-SG 2.82Å; V409-C412 PolarHBondContact O-N 3.25Å; Y410-C412 PolarHBondContact O-N 2.99Å; C412-N414 VanDerWaalsContact C-N 3.25Å; C412-N414 PolarHBondContact O-N 3.06Å; C412-A415 PolarHBondContact O-N 3.17Å; C412-G416 PolarHBondContact O-N 2.9Å; C412-L417 WeakPolarHBondContact CA-O 2.87Å; C412-L417 PolarHBondContact O-N 3.43Å
413V91.1Very high90.6Very high1 Ų128.8 Ų28.81%0.00616%0.159CC..Hα-helixtrans-70.5-38.9-178172.40000109.2V198 V334 L337 F338 V357 V409 Y410 D411 A415 G416V198-V413 HydrophobicContact CG2-CG1 4.1Å; V334-V413 HydrophobicContact CG1-CG1 4.46Å; L337-V413 HydrophobicContact CD2-CG2 4.49Å; F338-V413 HydrophobicContact CE2-CG2 4.14Å; V357-V413 HydrophobicContact CG1-CB 4.43Å; V357-V413 HydrophobicContact CG1-CG2 3.34Å; V409-V413 WeakPolarHBondContact O-CG2 3.43Å; V409-V413 PolarHBondContact O-N 2.79Å; V409-V413 VanDerWaalsContact O-N 3.16Å; Y410-V413 PolarHBondContact O-N 2.93Å; D411-V413 PolarHBondContact O-N 3.22Å; V413-A415 PolarHBondContact O-N 3.47Å; V413-G416 PolarHBondContact O-N 2.92Å
414N89.9Confident90.6Very high39 Ų3928.1 Ų28.121%0.20916%0.157CC..Hα-helixtrans-72.6-31.1-177.2-71.1-23000111.3V198 Y410 D411 C412V198-N414 PolarHBondContact N-OD1 3Å; V198-N414 PolarHBondContact O-ND2 3.07Å; V198-N414 PolarHBondContact O-OD1 3.07Å; Y410-N414 PolarHBondContact O-N 3.41Å; Y410-N414 VanDerWaalsContact O-N 3.12Å; Y410-N414 PolarHBondContact O-ND2 3.15Å; D411-N414 PolarHBondContact O-N 3.24Å; C412-N414 VanDerWaalsContact C-N 3.25Å; C412-N414 PolarHBondContact O-N 3.06Å
415A85.2Confident90.4Very high13 Ų1331.5 Ų31.511%0.10717%0.172CC..Hα-helixtrans-82.5-16.4-18000000110.9D411 C412 V413 L417 L419 L453 Q457D411-A415 VanDerWaalsContact O-CB 3.32Å; D411-A415 WeakPolarHBondContact O-CB 2.32Å; D411-A415 PolarHBondContact O-N 3.17Å; C412-A415 PolarHBondContact O-N 3.17Å; V413-A415 PolarHBondContact O-N 3.47Å; A415-L417 HydrophobicContact CB-CD2 3.92Å; A415-L417 PolarHBondContact O-N 3.3Å; A415-L419 HydrophobicContact CB-CD2 4.23Å; A415-L419 HydrophobicContact CB-CG 4.44Å; A415-L453 HydrophobicContact CB-CD2 4.27Å; A415-Q457 PolarHBondContact O-NE2 2.9Å
416G84.8Confident90.1Very high14 Ų1432.6 Ų32.614%0.14418%0.178CC..THydrogen-bonded Turntrans65.715.8-177.100000112.3C412 V413C412-G416 PolarHBondContact O-N 2.9Å; V413-G416 PolarHBondContact O-N 2.92Å
417L87.2Confident89.6Confident52 Ų5235.5 Ų35.527%0.27221%0.211SC..SBendtrans-141.1153.4178.5106.4109.6000109.3C412 A415 L419 L456C412-L417 WeakPolarHBondContact CA-O 2.87Å; C412-L417 PolarHBondContact O-N 3.43Å; A415-L417 HydrophobicContact CB-CD2 3.92Å; A415-L417 PolarHBondContact O-N 3.3Å; L417-L419 HydrophobicContact CD2-CD2 3.61Å; L417-L419 HydrophobicContact CG-CD2 4.03Å; L417-L419 PolarHBondContact O-N 2.77Å; L417-L419 VanDerWaalsContact O-N 3.17Å; L417-L456 HydrophobicContact CD2-CB 4.03Å; L417-L456 HydrophobicContact CD2-CD1 4.5Å
418L88.9Confident89.3Confident79 Ų7937 Ų3741%0.41422%0.222SC..  trans-76.6111.5175.7-68.6176.1000110L337 F338 L341 W408L337-L418 HydrophobicContact CD1-CD2 4.33Å; L337-L418 HydrophobicContact CD1-CG 4.28Å; L337-L418 HydrophobicContact CG-CD2 3.99Å; L337-L418 HydrophobicContact CG-CG 4.47Å; F338-L418 HydrophobicContact CD1-CD2 3.81Å; F338-L418 HydrophobicContact CE1-CD2 3.52Å; L341-L418 HydrophobicContact CD1-CD1 4.37Å; L341-L418 HydrophobicContact CD1-CD2 4.35Å; W408-L418 HydrophobicContact CH2-CD2 4.22Å; W408-L418 HydrophobicContact CZ2-CD2 4.32Å
419L89.1Confident88.9Confident10 Ų1045.6 Ų45.65%0.05226%0.262CS..  trans-77.9153.1-178.5-64.6171.6000110.8W408 D411 A415 L417 V421 Y424 L453 L456W408-L419 PolarHBondContact NE1-O 3.32Å; D411-L419 HydrophobicContact CB-CD1 3.43Å; D411-L419 VanDerWaalsContact CB-CD1 3.43Å; A415-L419 HydrophobicContact CB-CD2 4.23Å; A415-L419 HydrophobicContact CB-CG 4.44Å; L417-L419 HydrophobicContact CD2-CD2 3.61Å; L417-L419 HydrophobicContact CG-CD2 4.03Å; L417-L419 PolarHBondContact O-N 2.77Å; L417-L419 VanDerWaalsContact O-N 3.17Å; L419-V421 PolarHBondContact O-N 2.92Å; L419-Y424 HydrophobicContact CB-CE2 4.45Å; L419-Y424 HydrophobicContact CD1-CE2 4.36Å; L419-L453 HydrophobicContact CD1-CD2 4.32Å; L419-L453 HydrophobicContact CD2-CD2 3.5Å; L419-L453 VanDerWaalsContact CD2-CD2 3.5Å; L419-L456 HydrophobicContact CD2-CD1 4.4Å
420P88.8Confident88.6Confident68 Ų6848.3 Ų48.344%0.44228%0.277SS..  trans-59.7134.5179-21.931.1000111.7Q422P420-Q422 PolarHBondContact O-N 3.39Å
421V90Very high88.2Confident24 Ų2449.1 Ų49.115%0.14528%0.283CS..G310 helixtrans-77.4-18.8-169.7-67.10000109.3V404 W408 L419 S423 Y424 F425V404-V421 HydrophobicContact CG1-CB 3.89Å; V404-V421 HydrophobicContact CG1-CG1 4.11Å; W408-V421 HydrophobicContact CZ2-CG1 3.93Å; L419-V421 PolarHBondContact O-N 2.92Å; V421-S423 PolarHBondContact O-N 3.27Å; V421-Y424 PolarHBondContact O-N 3.14Å; V421-F425 HydrophobicContact CB-CE1 4.1Å; V421-F425 HydrophobicContact CB-CZ 4.32Å; V421-F425 HydrophobicContact CG2-CE1 3.98Å; V421-F425 HydrophobicContact CG2-CZ 3.71Å; V421-F425 PolarHBondContact O-N 3.13Å
422Q89.8Confident88Confident119 Ų11951.9 Ų51.956%0.55630%0.302SS*.G310 helixtrans-65.5-30.1-171.4-72.684.81.800110P420 Y424 F425P420-Q422 PolarHBondContact O-N 3.39Å; Q422-Y424 PolarHBondContact O-N 3.2Å; Q422-Y424 VanDerWaalsContact O-N 3.14Å; Q422-F425 HydrophobicContact CB-CD2 4.41Å; Q422-F425 HydrophobicContact CB-CE2 4.15Å; Q422-F425 HydrophobicContact CG-CE2 3.85Å; Q422-F425 HydrophobicContact CG-CZ 4.46Å
423S88.1Confident87.7Confident54 Ų5454.2 Ų54.238%0.37831%0.313SS..G310 helixtrans-76.8-9.3-176.4-61.70000111.2V421V421-S423 PolarHBondContact O-N 3.27Å
424Y91.7Very high87.4Confident12 Ų1256.2 Ų56.25%0.04732%0.323CS..G310 helixtrans-121.419.6-173.8-70-95.2000109.8Q405 Q407 W408 D411 L419 V421 Q422 L430 P431Q405-Y424 PolarHBondContact N-O 3.33Å; Q407-Y424 HydrophobicContact CB-CD1 4.14Å; Q407-Y424 HydrophobicContact CB-CE1 4.09Å; Q407-Y424 HydrophobicContact CG-CD1 4.4Å; Q407-Y424 HydrophobicContact CG-CE1 3.85Å; W408-Y424 HydrophobicContact CB-CD1 3.87Å; W408-Y424 HydrophobicContact CB-CD2 4.29Å; W408-Y424 HydrophobicContact CB-CE1 4.47Å; W408-Y424 HydrophobicContact CB-CG 3.78Å; W408-Y424 AromaticContact CD1-CD2 3.43Å; W408-Y424 VanDerWaalsContact CD1-CD2 3.43Å; W408-Y424 AromaticContact CD1-CE2 3.87Å; W408-Y424 AromaticContact CD1-CG 3.8Å; W408-Y424 HydrophobicContact CG-CD2 4.25Å; W408-Y424 HydrophobicContact CG-CG 4.19Å; D411-Y424 WeakPolarHBondContact CB-OH 3.17Å; D411-Y424 WeakPolarHBondContact OD2-CE1 3.36Å; D411-Y424 PolarHBondContact OD2-OH 2.92Å; L419-Y424 HydrophobicContact CB-CE2 4.45Å; L419-Y424 HydrophobicContact CD1-CE2 4.36Å; V421-Y424 PolarHBondContact O-N 3.14Å; Q422-Y424 PolarHBondContact O-N 3.2Å; Q422-Y424 VanDerWaalsContact O-N 3.14Å; Y424-L430 HydrophobicContact CD1-CD2 3.65Å; Y424-L430 HydrophobicContact CE1-CD2 4.43Å; Y424-L430 HydrophobicContact CG-CD2 4.29Å; Y424-P431 HydrophobicContact CE1-CG 4.39Å; Y424-P431 HydrophobicContact CE2-CG 4.36Å
425F89.1Confident87.3Confident72 Ų7256.1 Ų56.132%0.31633%0.326SS..SBendtrans-69.3165.6-180-82.2-28.8000110.1Y403 V404 Q405 V421 Q422 G427 V428Y403-F425 WeakPolarHBondContact O-CD1 3.34Å; V404-F425 HydrophobicContact CG1-CD1 4.44Å; V404-F425 HydrophobicContact CG1-CE1 4.41Å; Q405-F425 PolarHBondContact NE2-O 2.99Å; Q405-F425 VanDerWaalsContact NE2-O 3.15Å; V421-F425 HydrophobicContact CB-CE1 4.1Å; V421-F425 HydrophobicContact CB-CZ 4.32Å; V421-F425 HydrophobicContact CG2-CE1 3.98Å; V421-F425 HydrophobicContact CG2-CZ 3.71Å; V421-F425 PolarHBondContact O-N 3.13Å; Q422-F425 HydrophobicContact CB-CD2 4.41Å; Q422-F425 HydrophobicContact CB-CE2 4.15Å; Q422-F425 HydrophobicContact CG-CE2 3.85Å; Q422-F425 HydrophobicContact CG-CZ 4.46Å; F425-G427 PolarHBondContact O-N 3.18Å; F425-V428 HydrophobicContact CB-CG2 3.98Å; F425-V428 PolarHBondContact O-N 3.15Å
426L85.9Confident87.2Confident45 Ų4556.8 Ų56.824%0.23633%0.329CS..THydrogen-bonded Turntrans-68.2122.4-178.2-59.5172.5000110V389 Q394 Y403 Q405 V428V389-L426 HydrophobicContact CB-CD1 4.25Å; V389-L426 HydrophobicContact CB-CD2 3.89Å; V389-L426 HydrophobicContact CG1-CD1 4.27Å; V389-L426 HydrophobicContact CG1-CD2 4.11Å; V389-L426 WeakPolarHBondContact O-CD2 3.5Å; Q394-L426 HydrophobicContact CG-CD1 3.76Å; Y403-L426 HydrophobicContact CG-CD1 4.49Å; Q405-L426 HydrophobicContact CG-CD2 4.15Å; L426-V428 VanDerWaalsContact C-N 3.33Å; L426-V428 PolarHBondContact O-N 3.42Å
427G83.2Confident87.1Confident77 Ų7759.3 Ų59.379%0.79434%0.336SS*.THydrogen-bonded Turntrans102.9-12.4175.500000111.2F425F425-G427 PolarHBondContact O-N 3.18Å
428V86.2Confident86.4Confident67 Ų6759.8 Ų59.841%0.40635%0.347SS..SBendtrans-88.8146.4-179.5177.50000109F425 L426 L430F425-V428 HydrophobicContact CB-CG2 3.98Å; F425-V428 PolarHBondContact O-N 3.15Å; L426-V428 VanDerWaalsContact C-N 3.33Å; L426-V428 PolarHBondContact O-N 3.42Å; V428-L430 PolarHBondContact O-N 2.84Å
429E86.4Confident85.4Confident185 Ų18564.2 Ų64.286%0.86437%0.366SS*.PPolyproline II helixtrans-68120.1176-70.5-174.5174.500110.9
430L86.8Confident84.3Confident58 Ų5866.8 Ų66.830%0.30438%0.378SS..PPolyproline II helixtrans-76.3143.9-173.3-64.3160.6000109.9Q405 Y424 V428Q405-L430 HydrophobicContact CB-CD2 4.05Å; Q405-L430 VanDerWaalsContact CD-CD2 3.44Å; Q405-L430 HydrophobicContact CG-CD2 4.22Å; Q405-L430 VanDerWaalsContact OE1-CG 3.26Å; Y424-L430 HydrophobicContact CD1-CD2 3.65Å; Y424-L430 HydrophobicContact CE1-CD2 4.43Å; Y424-L430 HydrophobicContact CG-CD2 4.29Å; V428-L430 PolarHBondContact O-N 2.84Å
431P87.1Confident83.1Confident29 Ų2970.2 Ų70.219%0.18839%0.386CS..PPolyproline II helixtrans-64.1153.5173-18.727.1000111.8Q407 Y424 H433 V449Q407-P431 PolarHBondContact NE2-O 3.48Å; Y424-P431 HydrophobicContact CE1-CG 4.39Å; Y424-P431 HydrophobicContact CE2-CG 4.36Å; P431-H433 PolarHBondContact O-N 3.2Å; P431-V449 HydrophobicContact CB-CG1 4.39Å
432P86.6Confident81.5Confident72 Ų7277.8 Ų77.847%0.46842%0.419SS..PPolyproline II helixtrans-64.4137.6-179.222.4-27.9000111.8L434 V449P432-L434 PolarHBondContact O-N 3.33Å; P432-V449 HydrophobicContact CG-CB 4.45Å; P432-V449 HydrophobicContact CG-CG2 4.2Å
433H86.1Confident80.1Confident49 Ų4973.9 Ų73.923%0.22741%0.412CS..  trans-83.2106.3179-175.250.8000110.1F199 V200 D411 P431F199-H433 AromaticContact CD2-CD2 3.87Å; F199-H433 AromaticContact CD2-NE2 3.68Å; F199-H433 AromaticContact CE2-CD2 3.89Å; V200-H433 PolarHBondContact N-NE2 3.26Å; V200-H433 VanDerWaalsContact N-NE2 3.18Å; D411-H433 IonicContact OD1-CE1 1.45Å; D411-H433 PolarHBondContact OD1-CE1 2.79Å; D411-H433 VanDerWaalsContact OD1-CE1 3.3Å; D411-H433 IonicContact OD1-ND1 1.57Å; D411-H433 PolarHBondContact OD1-ND1 2.84Å; P431-H433 PolarHBondContact O-N 3.2Å
434L84.8Confident78.9Confident42 Ų4274.3 Ų74.322%0.2241%0.409CS..  trans-92144.7-174.2-63.5169000110P432 P447 K450 L453P432-L434 PolarHBondContact O-N 3.33Å; L434-P447 HydrophobicContact CD2-CG 4.23Å; L434-K450 HydrophobicContact CD1-CB 3.46Å; L434-K450 VanDerWaalsContact CD1-CB 3.46Å; L434-K450 HydrophobicContact CD1-CD 3.73Å; L434-K450 HydrophobicContact CD1-CG 3.99Å; L434-L453 HydrophobicContact CD1-CD1 4.33Å
435S87.5Confident77.6Confident37 Ų3776.6 Ų76.626%0.25942%0.418SS..  trans-77.5130.8-179.8168.60000110.4F199 F437F199-S435 VanDerWaalsContact CD2-CA 3.47Å; F199-S435 VanDerWaalsContact CE2-CA 3.44Å; S435-F437 PolarHBondContact O-N 3.14Å; S435-F437 PolarHBondContact OG-N 2.94Å
436P83.7Confident76.5Confident27 Ų2774 Ų7418%0.17541%0.407CS..THydrogen-bonded Turntrans-76.7-2.817928-31.4000111.8K197 F199 A438K197-P436 HydrophobicContact CB-CB 4.22Å; K197-P436 HydrophobicContact CB-CG 3.96Å; K197-P436 HydrophobicContact CD-CB 3.93Å; K197-P436 HydrophobicContact CD-CG 4.34Å; K197-P436 HydrophobicContact CG-CB 4.16Å; K197-P436 HydrophobicContact CG-CG 4.46Å; F199-P436 HydrophobicContact CB-CG 4.2Å; P436-A438 VanDerWaalsContact C-N 3.3Å
437F82.6Confident75.8Confident68 Ų6873.7 Ų73.730%0.29841%0.408SS..THydrogen-bonded Turntrans-96.8-6.5-171-63.1-72.3000109.7K197 F199 Q208 T217 S435 E439K197-F437 HydrophobicContact CB-CE1 4.31Å; K197-F437 HydrophobicContact CB-CZ 4.3Å; K197-F437 HydrophobicContact CD-CD1 4.23Å; K197-F437 HydrophobicContact CD-CE1 4.08Å; F199-F437 HydrophobicContact CB-CD2 4.26Å; F199-F437 HydrophobicContact CB-CE2 3.66Å; F199-F437 HydrophobicContact CG-CE2 4.43Å; Q208-F437 HydrophobicContact CB-CE1 4.14Å; Q208-F437 HydrophobicContact CB-CZ 4.38Å; T217-F437 HydrophobicContact CG2-CE1 4.24Å; T217-F437 HydrophobicContact CG2-CZ 4.15Å; S435-F437 PolarHBondContact O-N 3.14Å; S435-F437 PolarHBondContact OG-N 2.94Å; F437-E439 PolarHBondContact O-N 3.48Å
438A72.7Confident75.2Confident61 Ų6175.6 Ų75.650%0.50439%0.392SS..  trans-83.9018000000110.3P436P436-A438 VanDerWaalsContact C-N 3.3Å
439E68.1Low74.4Confident173 Ų17374.4 Ų74.481%0.80838%0.384SS*.PPolyproline II helix0121.70-69179.1-178.700109.9F437 K441F437-E439 PolarHBondContact O-N 3.48Å; E439-K441 PolarHBondContact O-N 3.5Å
440E64.6Low73.7Confident63 Ų6367.1 Ų67.129%0.29435%0.35SS..PPolyproline II helixtrans-80.80-176.7-62.2173.1179.600109.9I446 K450 L454 L464E440-I446 HydrophobicContact CB-CD1 4.42Å; E440-I446 HydrophobicContact CG-CG1 4.44Å; E440-I446 WeakPolarHBondContact OE2-CD1 3.2Å; E440-K450 VanDerWaalsContact CD-CE 3.48Å; E440-K450 WeakPolarHBondContact OE1-CD 3.49Å; E440-K450 WeakPolarHBondContact OE1-CE 2.99Å; E440-K450 WeakPolarHBondContact OE1-CG 3.3Å; E440-K450 IonicContact OE1-NZ 3.29Å; E440-K450 PolarHBondContact OE1-NZ 3.24Å; E440-L454 WeakPolarHBondContact OE2-CD1 3.48Å; E440-L464 HydrophobicContact CB-CD2 4.37Å
441K63.2Low72.8Confident140 Ų14064.7 Ų64.761%0.60934%0.337SS*.PPolyproline II helix000-66.3-178.7-177.1177.10110.2E439 G443 D444E439-K441 PolarHBondContact O-N 3.5Å; K441-G443 PolarHBondContact O-N 2.91Å; K441-D444 WeakPolarHBondContact O-CB 3.19Å; K441-D444 PolarHBondContact O-N 3.34Å; K441-D444 VanDerWaalsContact O-N 3.15Å
442E58.3Low72.1Confident183 Ų18369.9 Ų69.986%0.85536%0.357SS*.THydrogen-bonded Turn0113.60-73179.1-177.300110.9
443G58.6Low71.5Confident38 Ų3868.3 Ų68.339%0.39234%0.344SS..THydrogen-bonded Turntrans121.3-11.3176.700000111K441 N555K441-G443 PolarHBondContact O-N 2.91Å; G443-N555 VanDerWaalsContact O-CG 3.26Å; G443-N555 PolarHBondContact O-ND2 3.42Å
444D64.3Low70.8Confident62 Ų6266.6 Ų66.633%0.33234%0.337SS..SBendtrans-84.1137.6179.5-78.5-6.4000110.8K441 I446K441-D444 WeakPolarHBondContact O-CB 3.19Å; K441-D444 PolarHBondContact O-N 3.34Å; K441-D444 VanDerWaalsContact O-N 3.15Å; D444-I446 PolarHBondContact O-N 3.45Å; D444-I446 VanDerWaalsContact O-N 3.13Å
445Y63.5Low70.2Confident61 Ų6169.9 Ų69.924%0.23935%0.351CS..  trans-59.7113.2175.9176.6-103.6000110.5P447 N555 L558 L559 R562Y445-P447 HydrophobicContact CE1-CG 4.42Å; Y445-N555 WeakPolarHBondContact CB-OD1 3.4Å; Y445-N555 PolarHBondContact N-OD1 3.36Å; Y445-L558 HydrophobicContact CD1-CD1 4.44Å; Y445-L558 HydrophobicContact CD2-CB 4.44Å; Y445-L558 HydrophobicContact CG-CB 4.42Å; Y445-L558 HydrophobicContact CG-CD1 4.43Å; Y445-L559 HydrophobicContact CD2-CD2 3.58Å; Y445-L559 HydrophobicContact CD2-CG 3.76Å; Y445-L559 HydrophobicContact CE2-CD2 3.22Å; Y445-L559 HydrophobicContact CE2-CG 3.79Å; Y445-R562 WeakPolarHBondContact OH-CD 3.42Å; Y445-R562 PolarHBondContact OH-NE 3.06Å; Y445-R562 PolarHBondContact OH-NH1 3.05Å
446I66.2Low69.4Low16 Ų1673.1 Ų73.18%0.08237%0.365CS..  trans-102.5120.7176.1-59.4165.5000108.2E440 D444 K450 V451 L454 L464E440-I446 HydrophobicContact CB-CD1 4.42Å; E440-I446 HydrophobicContact CG-CG1 4.44Å; E440-I446 WeakPolarHBondContact OE2-CD1 3.2Å; D444-I446 PolarHBondContact O-N 3.45Å; D444-I446 VanDerWaalsContact O-N 3.13Å; I446-K450 HydrophobicContact CG2-CB 3.71Å; I446-K450 HydrophobicContact CG2-CD 4.31Å; I446-K450 HydrophobicContact CG2-CG 3.82Å; I446-V451 HydrophobicContact CB-CG2 4.23Å; I446-V451 HydrophobicContact CG2-CG2 3.78Å; I446-L454 HydrophobicContact CG2-CD1 4.43Å; I446-L464 HydrophobicContact CD1-CB 3.42Å; I446-L464 VanDerWaalsContact CD1-CB 3.42Å; I446-L464 HydrophobicContact CD1-CD1 4.07Å; I446-L464 HydrophobicContact CD1-CD2 2.38Å; I446-L464 HydrophobicContact CD1-CG 3.4Å; I446-L464 HydrophobicContact CG1-CD2 3.79Å
447P70.4Confident68.5Low40 Ų4075 Ų7526%0.2637%0.372SS..  trans-57.60179.6-2634.3000111.8L434 Y445 V449 K450 V451L434-P447 HydrophobicContact CD2-CG 4.23Å; Y445-P447 HydrophobicContact CE1-CG 4.42Å; P447-V449 PolarHBondContact O-N 3.39Å; P447-K450 HydrophobicContact CB-CB 4.47Å; P447-K450 WeakPolarHBondContact O-CA 3.16Å; P447-K450 VanDerWaalsContact O-CB 3.26Å; P447-K450 WeakPolarHBondContact O-CB 2.92Å; P447-K450 PolarHBondContact O-N 3.29Å; P447-V451 WeakPolarHBondContact O-CG2 3.37Å; P447-V451 PolarHBondContact O-N 3.23Å
448R70.8Confident67.5Low117 Ų11775 Ų7544%0.44239%0.39SS..Hα-helix0-37.10-72.7-173.3178-1771.3110.1K450 V451 K452 R562 E566R448-K450 PolarHBondContact O-N 3.47Å; R448-V451 CarbonylContact O-C 3.5Å; R448-V451 WeakPolarHBondContact O-CA 3.32Å; R448-V451 WeakPolarHBondContact O-CB 3.19Å; R448-V451 PolarHBondContact O-N 2.86Å; R448-K452 PolarHBondContact O-N 3.47Å; R448-R562 VanDerWaalsContact CB-CZ 3.47Å; R448-R562 VanDerWaalsContact CG-NH1 3.26Å; R448-E566 IonicContact CZ-OE1 3.69Å; R448-E566 VanDerWaalsContact CZ-OE1 3.22Å; R448-E566 IonicContact CZ-OE2 3.7Å; R448-E566 IonicContact NE-OE1 3.43Å; R448-E566 IonicContact NH1-OE1 2.63Å; R448-E566 PolarHBondContact NH1-OE1 3.24Å; R448-E566 IonicContact NH1-OE2 3.22Å; R448-E566 PolarHBondContact NH1-OE2 2.94Å; R448-E566 IonicContact NH2-OE1 3.37Å; R448-E566 IonicContact NH2-OE2 3.23Å; R448-E566 PolarHBondContact NH2-OE2 3.43Å
449V70.2Confident67.1Low41 Ų4176.8 Ų76.825%0.24839%0.387CS..Hα-helixtrans-63.8-39.9-177.6176.20000109.5P431 P432 P447 V451 K452 L453P431-V449 HydrophobicContact CB-CG1 4.39Å; P432-V449 HydrophobicContact CG-CB 4.45Å; P432-V449 HydrophobicContact CG-CG2 4.2Å; P447-V449 PolarHBondContact O-N 3.39Å; V449-V451 PolarHBondContact O-N 3.46Å; V449-K452 WeakPolarHBondContact O-CB 3.33Å; V449-K452 PolarHBondContact O-N 3.09Å; V449-K452 VanDerWaalsContact O-N 3.12Å; V449-L453 HydrophobicContact CG1-CD1 4.34Å; V449-L453 WeakPolarHBondContact O-CG 3.37Å; V449-L453 PolarHBondContact O-N 3.16Å
450K71.1Confident66.6Low33 Ų3375.8 Ų75.814%0.14339%0.387CS..Hα-helixtrans-67.8-34.5177.7-172.1145.5-176.7174.70111L434 E440 I446 P447 R448 K452 L453 L454L434-K450 HydrophobicContact CD1-CB 3.46Å; L434-K450 VanDerWaalsContact CD1-CB 3.46Å; L434-K450 HydrophobicContact CD1-CD 3.73Å; L434-K450 HydrophobicContact CD1-CG 3.99Å; E440-K450 VanDerWaalsContact CD-CE 3.48Å; E440-K450 WeakPolarHBondContact OE1-CD 3.49Å; E440-K450 WeakPolarHBondContact OE1-CE 2.99Å; E440-K450 WeakPolarHBondContact OE1-CG 3.3Å; E440-K450 IonicContact OE1-NZ 3.29Å; E440-K450 PolarHBondContact OE1-NZ 3.24Å; I446-K450 HydrophobicContact CG2-CB 3.71Å; I446-K450 HydrophobicContact CG2-CD 4.31Å; I446-K450 HydrophobicContact CG2-CG 3.82Å; P447-K450 HydrophobicContact CB-CB 4.47Å; P447-K450 WeakPolarHBondContact O-CA 3.16Å; P447-K450 VanDerWaalsContact O-CB 3.26Å; P447-K450 WeakPolarHBondContact O-CB 2.92Å; P447-K450 PolarHBondContact O-N 3.29Å; R448-K450 PolarHBondContact O-N 3.47Å; K450-K452 PolarHBondContact O-N 3.24Å; K450-L453 CarbonylContact O-C 3.58Å; K450-L453 WeakPolarHBondContact O-CB 3.22Å; K450-L453 PolarHBondContact O-N 2.89Å; K450-L453 VanDerWaalsContact O-N 3.15Å; K450-L454 HydrophobicContact CG-CD1 4.2Å; K450-L454 HydrophobicContact CG-CG 4.32Å; K450-L454 WeakPolarHBondContact O-CB 3.24Å; K450-L454 WeakPolarHBondContact O-CG 3.48Å; K450-L454 PolarHBondContact O-N 3.4Å
451V68.8Low66.4Low7 Ų773.1 Ų73.14%0.04238%0.375CS..Hα-helixtrans-63.4-40.2176.8174.50000109.6I446 P447 R448 V449 L453 L454 Q455 V461 L465I446-V451 HydrophobicContact CB-CG2 4.23Å; I446-V451 HydrophobicContact CG2-CG2 3.78Å; P447-V451 WeakPolarHBondContact O-CG2 3.37Å; P447-V451 PolarHBondContact O-N 3.23Å; R448-V451 CarbonylContact O-C 3.5Å; R448-V451 WeakPolarHBondContact O-CA 3.32Å; R448-V451 WeakPolarHBondContact O-CB 3.19Å; R448-V451 PolarHBondContact O-N 2.86Å; V449-V451 PolarHBondContact O-N 3.46Å; V451-L453 PolarHBondContact O-N 3.06Å; V451-L454 PolarHBondContact O-N 3.34Å; V451-Q455 HydrophobicContact CG1-CG 4.26Å; V451-Q455 VanDerWaalsContact O-CB 3.32Å; V451-Q455 WeakPolarHBondContact O-CB 3.46Å; V451-Q455 WeakPolarHBondContact O-CG 3.5Å; V451-Q455 PolarHBondContact O-N 2.56Å; V451-V461 HydrophobicContact CB-CG1 4.17Å; V451-V461 HydrophobicContact CG1-CB 4.14Å; V451-V461 HydrophobicContact CG1-CG1 3.38Å; V451-V461 HydrophobicContact CG1-CG2 4.37Å; V451-V461 HydrophobicContact CG2-CG1 4.1Å; V451-L465 HydrophobicContact CG1-CD1 4.26Å; V451-L465 HydrophobicContact CG1-CD2 4.31Å; V451-L465 HydrophobicContact CG2-CD2 3.96Å
452K72.4Confident65.8Low138 Ų13869.2 Ų69.260%0.638%0.375SS*.Hα-helixtrans-64.7-37.7178.2-78.6-176.1-173.6174.60110.8R448 V449 K450 L454 Q455 L456R448-K452 PolarHBondContact O-N 3.47Å; V449-K452 WeakPolarHBondContact O-CB 3.33Å; V449-K452 PolarHBondContact O-N 3.09Å; V449-K452 VanDerWaalsContact O-N 3.12Å; K450-K452 PolarHBondContact O-N 3.24Å; K452-L454 VanDerWaalsContact C-N 3.26Å; K452-L454 PolarHBondContact O-N 2.82Å; K452-Q455 WeakPolarHBondContact O-CB 3.43Å; K452-Q455 PolarHBondContact O-N 3.31Å; K452-L456 WeakPolarHBondContact O-CB 3.47Å; K452-L456 WeakPolarHBondContact O-CG 3.09Å; K452-L456 PolarHBondContact O-N 2.97Å
453L73Confident65.5Low39 Ų3963.9 Ų63.920%0.20437%0.368CS..Hα-helixtrans-68.4-40.1179.8-80.4167000110.4A415 L419 L434 V449 K450 V451 Q455 L456 Q457A415-L453 HydrophobicContact CB-CD2 4.27Å; L419-L453 HydrophobicContact CD1-CD2 4.32Å; L419-L453 HydrophobicContact CD2-CD2 3.5Å; L419-L453 VanDerWaalsContact CD2-CD2 3.5Å; L434-L453 HydrophobicContact CD1-CD1 4.33Å; V449-L453 HydrophobicContact CG1-CD1 4.34Å; V449-L453 WeakPolarHBondContact O-CG 3.37Å; V449-L453 PolarHBondContact O-N 3.16Å; K450-L453 CarbonylContact O-C 3.58Å; K450-L453 WeakPolarHBondContact O-CB 3.22Å; K450-L453 PolarHBondContact O-N 2.89Å; K450-L453 VanDerWaalsContact O-N 3.15Å; V451-L453 PolarHBondContact O-N 3.06Å; L453-Q455 PolarHBondContact O-N 2.48Å; L453-L456 CarbonylContact O-C 3.57Å; L453-L456 WeakPolarHBondContact O-CB 3.44Å; L453-L456 PolarHBondContact O-N 2.45Å; L453-Q457 VanDerWaalsContact O-CG 3.22Å; L453-Q457 WeakPolarHBondContact O-CG 3.32Å; L453-Q457 PolarHBondContact O-N 2.83Å
454L71.5Confident65.3Low13 Ų1364.2 Ų64.27%0.06836%0.361CS..Hα-helixtrans-67.9-33-179.5-76.3171.5000110.2E440 I446 K450 V451 K452 L456 Q457 G458 K459 V461E440-L454 WeakPolarHBondContact OE2-CD1 3.48Å; I446-L454 HydrophobicContact CG2-CD1 4.43Å; K450-L454 HydrophobicContact CG-CD1 4.2Å; K450-L454 HydrophobicContact CG-CG 4.32Å; K450-L454 WeakPolarHBondContact O-CB 3.24Å; K450-L454 WeakPolarHBondContact O-CG 3.48Å; K450-L454 PolarHBondContact O-N 3.4Å; V451-L454 PolarHBondContact O-N 3.34Å; K452-L454 VanDerWaalsContact C-N 3.26Å; K452-L454 PolarHBondContact O-N 2.82Å; L454-L456 PolarHBondContact O-N 3.39Å; L454-Q457 PolarHBondContact O-N 3.48Å; L454-Q457 VanDerWaalsContact O-N 3.14Å; L454-G458 PolarHBondContact O-N 3.41Å; L454-G458 VanDerWaalsContact O-N 3.13Å; L454-K459 HydrophobicContact CB-CB 4.4Å; L454-K459 HydrophobicContact CD2-CB 4.27Å; L454-K459 HydrophobicContact CD2-CD 3.5Å; L454-K459 VanDerWaalsContact CD2-CD 3.5Å; L454-K459 HydrophobicContact CD2-CG 4.46Å; L454-K459 PolarHBondContact O-N 2.85Å; L454-V461 HydrophobicContact CB-CG2 3.95Å
455Q72.2Confident64.8Low110 Ų11065.3 Ų65.351%0.51437%0.367SS..Hα-helixtrans-68.3-37176.5-76.4175.2-9.600110.9V451 K452 L453 Q457 G458 V461V451-Q455 HydrophobicContact CG1-CG 4.26Å; V451-Q455 VanDerWaalsContact O-CB 3.32Å; V451-Q455 WeakPolarHBondContact O-CB 3.46Å; V451-Q455 WeakPolarHBondContact O-CG 3.5Å; V451-Q455 PolarHBondContact O-N 2.56Å; K452-Q455 WeakPolarHBondContact O-CB 3.43Å; K452-Q455 PolarHBondContact O-N 3.31Å; L453-Q455 PolarHBondContact O-N 2.48Å; Q455-Q457 PolarHBondContact O-N 3.37Å; Q455-G458 PolarHBondContact O-N 3.15Å; Q455-V461 HydrophobicContact CG-CB 4.43Å; Q455-V461 HydrophobicContact CG-CG2 3.53Å
456L70.7Confident64.3Low105 Ų10567.8 Ų67.855%0.5538%0.383SS..Hα-helixtrans-69.8-22.4178.7-75.9170.8000110.6L417 L419 K452 L453 L454 G458L417-L456 HydrophobicContact CD2-CB 4.03Å; L417-L456 HydrophobicContact CD2-CD1 4.5Å; L419-L456 HydrophobicContact CD2-CD1 4.4Å; K452-L456 WeakPolarHBondContact O-CB 3.47Å; K452-L456 WeakPolarHBondContact O-CG 3.09Å; K452-L456 PolarHBondContact O-N 2.97Å; L453-L456 CarbonylContact O-C 3.57Å; L453-L456 WeakPolarHBondContact O-CB 3.44Å; L453-L456 PolarHBondContact O-N 2.45Å; L454-L456 PolarHBondContact O-N 3.39Å; L456-G458 PolarHBondContact O-N 3.04Å
457Q66.1Low63.2Low68 Ų6875.3 Ų75.332%0.31842%0.418SS..THydrogen-bonded Turntrans-88.80-178.9-73.1180-18.500110.4A415 L453 L454 Q455 K459A415-Q457 PolarHBondContact O-NE2 2.9Å; L453-Q457 VanDerWaalsContact O-CG 3.22Å; L453-Q457 WeakPolarHBondContact O-CG 3.32Å; L453-Q457 PolarHBondContact O-N 2.83Å; L454-Q457 PolarHBondContact O-N 3.48Å; L454-Q457 VanDerWaalsContact O-N 3.14Å; Q455-Q457 PolarHBondContact O-N 3.37Å; Q457-K459 VanDerWaalsContact C-N 3.31Å
458G61.6Low61.7Low67 Ų6779.7 Ų79.769%0.69144%0.439SS*.THydrogen-bonded Turn00000000111L454 Q455 L456L454-G458 PolarHBondContact O-N 3.41Å; L454-G458 VanDerWaalsContact O-N 3.13Å; Q455-G458 PolarHBondContact O-N 3.15Å; L456-G458 PolarHBondContact O-N 3.04Å
459K64Low59.9Low98 Ų9881.4 Ų81.443%0.42645%0.453SS..  000-74.8-176.2-177.6177.50110.2R330 L454 Q457 V461R330-K459 VanDerWaalsContact NH2-CE 3.29Å; L454-K459 HydrophobicContact CB-CB 4.4Å; L454-K459 HydrophobicContact CD2-CB 4.27Å; L454-K459 HydrophobicContact CD2-CD 3.5Å; L454-K459 VanDerWaalsContact CD2-CD 3.5Å; L454-K459 HydrophobicContact CD2-CG 4.46Å; L454-K459 PolarHBondContact O-N 2.85Å; Q457-K459 VanDerWaalsContact C-N 3.31Å; K459-V461 WeakPolarHBondContact O-CG2 3.37Å; K459-V461 PolarHBondContact O-N 3.28Å
460D57.5Low57.9Low152 Ų15284.5 Ų84.581%0.81347%0.474SS*.  0105.90-153.9-2000110.6
461V59.6Low55.9Low7 Ų791.9 Ų91.94%0.04251%0.507CS..  trans-93.30-174.4-160.80000108.8V451 L454 Q455 K459 G463 L464 L465V451-V461 HydrophobicContact CB-CG1 4.17Å; V451-V461 HydrophobicContact CG1-CB 4.14Å; V451-V461 HydrophobicContact CG1-CG1 3.38Å; V451-V461 HydrophobicContact CG1-CG2 4.37Å; V451-V461 HydrophobicContact CG2-CG1 4.1Å; L454-V461 HydrophobicContact CB-CG2 3.95Å; Q455-V461 HydrophobicContact CG-CB 4.43Å; Q455-V461 HydrophobicContact CG-CG2 3.53Å; K459-V461 WeakPolarHBondContact O-CG2 3.37Å; K459-V461 PolarHBondContact O-N 3.28Å; V461-G463 PolarHBondContact O-N 2.66Å; V461-G463 VanDerWaalsContact O-N 3.13Å; V461-L464 HydrophobicContact CG1-CB 4.07Å; V461-L464 HydrophobicContact CG1-CD1 4.41Å; V461-L464 PolarHBondContact O-N 3.49Å; V461-L465 HydrophobicContact CG1-CD1 4.36Å; V461-L465 HydrophobicContact CG1-CG 4.15Å; V461-L465 PolarHBondContact O-N 3.17Å
462G51.5Low54.1Low59 Ų5996.4 Ų96.461%0.60854%0.538SS*.THydrogen-bonded Turn0-19.2000000111.5
463G52.5Low52Low70 Ų7095.2 Ų95.272%0.72254%0.543SS*.THydrogen-bonded Turntrans-98-2.9-177.900000111.6V461V461-G463 PolarHBondContact O-N 2.66Å; V461-G463 VanDerWaalsContact O-N 3.13Å
464L53.7Low49.9Very low45 Ų45100.8 Ų100.824%0.23657%0.573CS.*THydrogen-bonded Turntrans-105.8-12.4-173.1-85.3137.1000109.8E440 I446 V461E440-L464 HydrophobicContact CB-CD2 4.37Å; I446-L464 HydrophobicContact CD1-CB 3.42Å; I446-L464 VanDerWaalsContact CD1-CB 3.42Å; I446-L464 HydrophobicContact CD1-CD1 4.07Å; I446-L464 HydrophobicContact CD1-CD2 2.38Å; I446-L464 HydrophobicContact CD1-CG 3.4Å; I446-L464 HydrophobicContact CG1-CD2 3.79Å; V461-L464 HydrophobicContact CG1-CB 4.07Å; V461-L464 HydrophobicContact CG1-CD1 4.41Å; V461-L464 PolarHBondContact O-N 3.49Å
465L53.1Low47.9Very low86 Ų86104.9 Ų104.945%0.4560%0.602SS.*SBendtrans-100.6102.8-179.1-70.2168.7000109V451 V461 E467V451-L465 HydrophobicContact CG1-CD1 4.26Å; V451-L465 HydrophobicContact CG1-CD2 4.31Å; V451-L465 HydrophobicContact CG2-CD2 3.96Å; V461-L465 HydrophobicContact CG1-CD1 4.36Å; V461-L465 HydrophobicContact CG1-CG 4.15Å; V461-L465 PolarHBondContact O-N 3.17Å; L465-E467 PolarHBondContact O-N 2.71Å
466I53.2Low45.9Very low113 Ų113105.7 Ų105.758%0.57962%0.615SS**  trans-57.80173.2-60.7170.5000109.4D468I466-D468 PolarHBondContact O-N 2.95Å
467E43.3Very low43.8Very low174 Ų174104 Ų10481%0.81362%0.623SS**  0101.20-81.3-174175.400110.9L465 M469L465-E467 PolarHBondContact O-N 2.71Å; E467-M469 VanDerWaalsContact C-N 3.25Å; E467-M469 PolarHBondContact O-N 3.41Å
468D39Very low42.1Very low132 Ų132106.5 Ų106.571%0.70664%0.643SS**  trans0.20151.6-84.3-16.6000111.5I466 P470I466-D468 PolarHBondContact O-N 2.95Å; D468-P470 WeakPolarHBondContact O-CD 3.32Å
469M32.2Very low40.6Very low152 Ų152107.7 Ų107.775%0.74965%0.646SS**  0111.70-70.6-79.9-59.600110.2E467 K471E467-M469 VanDerWaalsContact C-N 3.25Å; E467-M469 PolarHBondContact O-N 3.41Å; M469-K471 PolarHBondContact O-N 2.95Å; M469-K471 VanDerWaalsContact O-N 3.14Å
470P28.5Very low39.1Very low106 Ų106110.4 Ų110.469%0.68866%0.664SS**  trans-47.30170.517.7-8.5000111.7D468 S472D468-P470 WeakPolarHBondContact O-CD 3.32Å; P470-S472 PolarHBondContact O-N 3.43Å
471K30.4Very low37.8Very low188 Ų188112.4 Ų112.482%0.81767%0.669SS**  000-72.4-171.9-178.2175.30111.6M469M469-K471 PolarHBondContact O-N 2.95Å; M469-K471 VanDerWaalsContact O-N 3.14Å
472S29.4Very low36.3Very low102 Ų102115.3 Ų115.371%0.71370%0.7SS**  092.8065.40000109.8P470P470-S472 PolarHBondContact O-N 3.43Å
473V28.9Very low35.3Very low113 Ų113118.2 Ų118.269%0.68571%0.711SS**  81.171.8121.2-155.90000109.2
474D30Very low34.3Very low156 Ų156120.5 Ų120.583%0.83472%0.716SS**  trans-132.677.2150.2-85.1-15.7000109.4T476D474-T476 VanDerWaalsContact C-N 3.27Å
475S28Very low33.2Very low99 Ų99123.7 Ų123.769%0.69274%0.742SS**  trans-44.276.3133.845.70000111.5
476T30.6Very low32.2Very low128 Ų128126.5 Ų126.579%0.78576%0.757SS**  trans-157.682.7144.130.10000108.9D474D474-T476 VanDerWaalsContact C-N 3.27Å
477G27.2Very low31.4Very low70 Ų70128 Ų12872%0.72277%0.765SS**  1983.811500000112.5
478V29.8Very low31Very low120 Ų120127.1 Ų127.173%0.72776%0.764SS**  trans-160.495.4147.7-177.40000108.2L480V478-L480 HydrophobicContact CG1-CD1 3.17Å; V478-L480 HydrophobicContact CG1-CG 4.07Å
479A30.2Very low30.9Very low91 Ų91128.4 Ų128.475%0.75277%0.771SS**  1.3012000000111.5
480L32.9Very low31.2Very low156 Ų156130.3 Ų130.382%0.81778%0.778SS**  096.90-90144.7000109.2V478V478-L480 HydrophobicContact CG1-CD1 3.17Å; V478-L480 HydrophobicContact CG1-CG 4.07Å
481Q30Very low31.7Very low194 Ų194130.9 Ų130.991%0.90778%0.782SS**  2104.8108.1-90.3-179.619.500111.7
482G28.2Very low32Very low67 Ų67131 Ų13169%0.69178%0.783SS**  89.2103.3115.300000111
483S29.8Very low32.3Very low120 Ų120131.3 Ų131.384%0.83979%0.791SS**  115.6111.8117.265.70000109.7
484S31Very low32.6Very low119 Ų119134.7 Ų134.783%0.83280%0.796SS**  52.9113.9114.3-102.50000110.8
485S32.4Very low33Very low111 Ų111139.7 Ų139.778%0.77680%0.804SS**  157.50127.654.60000109.5
486N31.6Very low33.4Very low146 Ų146145.8 Ų145.878%0.78181%0.811SS**  000-80.1-19.5000110.7
487I35.7Very low33.8Very low144 Ų144148.6 Ų148.674%0.73881%0.807SS**  000-59.6178.3000109.1
488I35.3Very low34.2Very low156 Ų156155.5 Ų155.580%0.882%0.818SS**  0111.20-56.8170.1000108
489D36.4Very low34.5Very low158 Ų158160 Ų16085%0.84582%0.822SS**  trans-9.3121.4134.6-94.9-17.2000111.7
490E39.8Very low35.3Very low193 Ų193160.4 Ų160.490%0.90283%0.825SS**  trans-127.5135.8146.9-104.5-168.9171.900110.1
491P38.2Very low35.6Very low117 Ų117158.5 Ų158.576%0.7682%0.822SS**  trans-106.70171.933.8-5.5000111.7
492K36.6Very low36Very low192 Ų192153.8 Ų153.884%0.83582%0.816SS**  0130.20-78-170.1179.2178.20110
493A36.1Very low36.6Very low107 Ų107158.8 Ų158.888%0.88483%0.826SS**  trans-152.10136.800000109.3
494K34.7Very low36.9Very low185 Ų185157.4 Ų157.480%0.80482%0.822SS**  0107.60-89.9-176.9-177.3179.80111.7
495R39.5Very low37.1Very low261 Ų261157 Ų15799%0.98583%0.825SS**  trans-122.80149.4-92.5-178.9116.3-178.4-0.4109.8
496R34.4Very low38Very low227 Ų227157.7 Ų157.786%0.85783%0.825SS**  01260-98.6177.9109.6-175.70.3111.8
497R40.2Very low38.5Very low186 Ų186157.1 Ų157.170%0.70283%0.83SS**  78.9133.493-76.2-172.9163-176.7-0.3110.1
498K35.8Very low38.8Very low215 Ų215154 Ų15494%0.93583%0.832SS**  trans-138.8115.5131-84.6-173.7-178.1-179.90109.6
499R36Very low39.7Very low215 Ų215150.9 Ų150.981%0.81183%0.83SS**  trans-66.7124.4161.8-72.4-174.6158.4-170.50.1110.3
500A45.8Very low40.4Very low99 Ų99149.5 Ų149.582%0.81883%0.83SS**  trans-136.1155.3142.700000109.8
501P40.3Very low40.8Very low117 Ų117145 Ų14576%0.7683%0.825SS**  -95.4133.4-129.733.8-5.2000111.8
502A37.8Very low41.6Very low94 Ų94149 Ų14978%0.77783%0.831SS**  trans18.70146.200000111.3
503L40.9Very low42.7Very low172 Ų172145.4 Ų145.490%0.90182%0.817SS**  094.90-106120.8000109.1
504A37.1Very low44.2Very low91 Ų91144.2 Ų144.275%0.75280%0.799SS**  103.20117.900000109.8T506A504-T506 PolarHBondContact O-N 3.34Å
505A34.9Very low45.9Very low110 Ų110145.2 Ų145.291%0.90980%0.798SS**  00000000111.2
506T50.7Low47.5Very low126 Ų126139.8 Ų139.877%0.77378%0.784SS**  0125.7032.50000109.9A504 G508A504-T506 PolarHBondContact O-N 3.34Å; T506-G508 PolarHBondContact O-N 2.97Å; T506-G508 VanDerWaalsContact O-N 3.07Å
507P42.4Very low49.4Very low135 Ų135134.3 Ų134.388%0.87777%0.768SS**  trans-59.30173.215.5-0.8000111.7
508G41.6Very low51.1Low77 Ų77126.9 Ų126.979%0.79475%0.746SS**  0103.3000000111.5T506T506-G508 PolarHBondContact O-N 2.97Å; T506-G508 VanDerWaalsContact O-N 3.07Å
509A53.6Low53Low91 Ų91121.6 Ų121.675%0.75273%0.727SS**  trans-17.1015200000111.6A511A509-A511 PolarHBondContact O-N 3.13Å
510P51.3Low55.1Low129 Ų129115.1 Ų115.184%0.83871%0.711SS**  0106.2023.1-21.6000111.7K512P510-K512 PolarHBondContact O-N 3.12Å
511A49.3Very low56.7Low98 Ų98113.9 Ų113.981%0.8169%0.688SS**  trans-46.6105.4168.400000111.1A509 Q513A509-A511 PolarHBondContact O-N 3.13Å; A511-Q513 PolarHBondContact O-N 3.25Å
512K54.9Low58.6Low202 Ų202114.6 Ų114.688%0.87868%0.679SS**  trans-54.3104.1168.8-89.5-178.6-175.5-177.90110.7P510 T514P510-K512 PolarHBondContact O-N 3.12Å; K512-T514 PolarHBondContact O-N 3.37Å
513Q58.7Low60.6Low117 Ų117112.3 Ų112.355%0.54766%0.661SS.*  trans-49.5114.9174.9-86.6179.35.200111.3A511 E521A511-Q513 PolarHBondContact O-N 3.25Å; Q513-E521 PolarHBondContact NE2-OE2 3.36Å; Q513-E521 PolarHBondContact OE1-OE2 2.99Å
514T68.8Low62.4Low81 Ų81109.9 Ų109.950%0.49764%0.644SS.*  trans-57.4130.3170.4-45.50000110.7K512 E516 E517 A518K512-T514 PolarHBondContact O-N 3.37Å; T514-E516 PolarHBondContact O-N 1.98Å; T514-E517 WeakPolarHBondContact O-CB 3.48Å; T514-E517 PolarHBondContact O-N 3.42Å; T514-A518 PolarHBondContact O-N 3.05Å; T514-A518 VanDerWaalsContact O-N 3.11Å
515R70.5Confident64.5Low207 Ų207110.2 Ų110.278%0.78163%0.631SS**Hα-helixtrans-34.4-32.4176.1-164.9176.5169.61710.4111.3A518 I519R515-A518 PolarHBondContact O-N 3.34Å; R515-I519 VanDerWaalsContact O-CG1 3.24Å; R515-I519 WeakPolarHBondContact O-CG1 3.38Å; R515-I519 PolarHBondContact O-N 3.32Å; R515-I519 VanDerWaalsContact O-N 3.14Å
516E72Confident66.7Low147 Ų147112.8 Ų112.869%0.68762%0.617SS**Hα-helixtrans-77.4-34.8-178.2-75.5178.9177.500111T514 A518 I519 V520T514-E516 PolarHBondContact O-N 1.98Å; E516-A518 PolarHBondContact O-N 3.13Å; E516-I519 PolarHBondContact O-N 2.79Å; E516-V520 WeakPolarHBondContact O-CG2 3.26Å; E516-V520 PolarHBondContact O-N 3.11Å; E516-V520 VanDerWaalsContact O-N 3.13Å
517E74Confident68.2Low112 Ų112113.6 Ų113.652%0.52361%0.61SS.*Hα-helixtrans-72.2-30.2177.2-71177.3178.100111.2T514 I519 E521T514-E517 WeakPolarHBondContact O-CB 3.48Å; T514-E517 PolarHBondContact O-N 3.42Å; E517-I519 VanDerWaalsContact C-N 3.34Å; E517-E521 WeakPolarHBondContact O-CB 3.2Å; E517-E521 PolarHBondContact O-N 3.49Å
518A77.1Confident70.1Confident30 Ų30112.5 Ų112.525%0.24860%0.596CS.*Hα-helixtrans-70-38.6177.300000111T514 R515 E516 V520 E521 K522T514-A518 PolarHBondContact O-N 3.05Å; T514-A518 VanDerWaalsContact O-N 3.11Å; R515-A518 PolarHBondContact O-N 3.34Å; E516-A518 PolarHBondContact O-N 3.13Å; A518-V520 VanDerWaalsContact C-N 3.29Å; A518-E521 PolarHBondContact O-N 3.35Å; A518-K522 WeakPolarHBondContact O-CB 3.25Å; A518-K522 WeakPolarHBondContact O-CG 3.39Å; A518-K522 PolarHBondContact O-N 3Å
519I75.8Confident72.1Confident104 Ų104114.8 Ų114.853%0.53359%0.586SS.*Hα-helixtrans-66.9-41.4179.4-68.1172.2000109.2R515 E516 E517 E521 K522 A523R515-I519 VanDerWaalsContact O-CG1 3.24Å; R515-I519 WeakPolarHBondContact O-CG1 3.38Å; R515-I519 PolarHBondContact O-N 3.32Å; R515-I519 VanDerWaalsContact O-N 3.14Å; E516-I519 PolarHBondContact O-N 2.79Å; E517-I519 VanDerWaalsContact C-N 3.34Å; I519-E521 VanDerWaalsContact C-N 3.25Å; I519-E521 PolarHBondContact O-N 2.84Å; I519-K522 PolarHBondContact O-N 3.45Å; I519-A523 WeakPolarHBondContact O-CB 3.39Å; I519-A523 PolarHBondContact O-N 2.9Å
520V80.3Confident73.5Confident78 Ų78114.1 Ų114.147%0.47357%0.567SS.*Hα-helixtrans-68.3-39.5-179.1174.20000109.6E516 A518 K522 A523 E524E516-V520 WeakPolarHBondContact O-CG2 3.26Å; E516-V520 PolarHBondContact O-N 3.11Å; E516-V520 VanDerWaalsContact O-N 3.13Å; A518-V520 VanDerWaalsContact C-N 3.29Å; V520-K522 VanDerWaalsContact C-N 3.28Å; V520-K522 PolarHBondContact O-N 3.25Å; V520-A523 PolarHBondContact O-N 3.34Å; V520-E524 HydrophobicContact CG1-CG 4.39Å; V520-E524 WeakPolarHBondContact O-CB 3.47Å; V520-E524 VanDerWaalsContact O-CG 3.27Å; V520-E524 WeakPolarHBondContact O-CG 3.36Å; V520-E524 PolarHBondContact O-N 3.47Å
521E78.2Confident75.1Confident73 Ų73113.7 Ų113.734%0.34156%0.556SS.*Hα-helixtrans-64-40.2177.8-165.3176.1178.500111.5Q513 E517 A518 I519 A523 E524 Q525Q513-E521 PolarHBondContact NE2-OE2 3.36Å; Q513-E521 PolarHBondContact OE1-OE2 2.99Å; E517-E521 WeakPolarHBondContact O-CB 3.2Å; E517-E521 PolarHBondContact O-N 3.49Å; A518-E521 PolarHBondContact O-N 3.35Å; I519-E521 VanDerWaalsContact C-N 3.25Å; I519-E521 PolarHBondContact O-N 2.84Å; E521-A523 VanDerWaalsContact C-N 3.31Å; E521-E524 PolarHBondContact O-N 2.88Å; E521-Q525 WeakPolarHBondContact O-CB 2.49Å; E521-Q525 WeakPolarHBondContact O-CG 3.33Å; E521-Q525 PolarHBondContact O-N 2.77Å
522K80.2Confident76.9Confident133 Ų133116.2 Ų116.258%0.57855%0.553SS**Hα-helixtrans-66.9-39.9178-86.3-173.8-175.3178.50110.7A518 I519 V520 E524 Q525 R526A518-K522 WeakPolarHBondContact O-CB 3.25Å; A518-K522 WeakPolarHBondContact O-CG 3.39Å; A518-K522 PolarHBondContact O-N 3Å; I519-K522 PolarHBondContact O-N 3.45Å; V520-K522 VanDerWaalsContact C-N 3.28Å; V520-K522 PolarHBondContact O-N 3.25Å; K522-E524 VanDerWaalsContact C-N 3.27Å; K522-Q525 WeakPolarHBondContact O-CB 3.48Å; K522-Q525 PolarHBondContact O-N 3.17Å; K522-R526 WeakPolarHBondContact O-CG 3.49Å; K522-R526 PolarHBondContact O-N 2.95Å
523A80.9Confident78.3Confident46 Ų46108.4 Ų108.438%0.3852%0.521SS..Hα-helixtrans-65.3-38.2178.200000110.4I519 V520 E521 Q525 R526 K527I519-A523 WeakPolarHBondContact O-CB 3.39Å; I519-A523 PolarHBondContact O-N 2.9Å; V520-A523 PolarHBondContact O-N 3.34Å; E521-A523 VanDerWaalsContact C-N 3.31Å; A523-Q525 VanDerWaalsContact C-N 3.29Å; A523-R526 PolarHBondContact O-N 3.23Å; A523-K527 WeakPolarHBondContact O-CG 3.25Å; A523-K527 PolarHBondContact O-N 3.38Å
524E78.5Confident79.7Confident120 Ų120106.7 Ų106.756%0.56152%0.52SS*.Hα-helixtrans-67.6-38.8178-74.8179.3175.600111.1V520 E521 K522 R526 K527 L528V520-E524 HydrophobicContact CG1-CG 4.39Å; V520-E524 WeakPolarHBondContact O-CB 3.47Å; V520-E524 VanDerWaalsContact O-CG 3.27Å; V520-E524 WeakPolarHBondContact O-CG 3.36Å; V520-E524 PolarHBondContact O-N 3.47Å; E521-E524 PolarHBondContact O-N 2.88Å; K522-E524 VanDerWaalsContact C-N 3.27Å; E524-R526 VanDerWaalsContact C-N 3.27Å; E524-R526 PolarHBondContact O-N 3.48Å; E524-K527 PolarHBondContact O-N 2.86Å; E524-L528 WeakPolarHBondContact O-CB 3.15Å; E524-L528 PolarHBondContact O-N 3.28Å
525Q80.3Confident80.6Confident99 Ų99111.8 Ų111.846%0.46354%0.535SS..Hα-helixtrans-63.7-37.9176.8-75.9178.43.800111E521 K522 A523 K527 L528 Q529E521-Q525 WeakPolarHBondContact O-CB 2.49Å; E521-Q525 WeakPolarHBondContact O-CG 3.33Å; E521-Q525 PolarHBondContact O-N 2.77Å; K522-Q525 WeakPolarHBondContact O-CB 3.48Å; K522-Q525 PolarHBondContact O-N 3.17Å; A523-Q525 VanDerWaalsContact C-N 3.29Å; Q525-K527 VanDerWaalsContact C-N 3.27Å; Q525-L528 PolarHBondContact O-N 3.15Å; Q525-Q529 WeakPolarHBondContact O-CG 3.44Å; Q525-Q529 PolarHBondContact O-N 3.3Å
526R81.1Confident81.3Confident163 Ų163110.2 Ų110.262%0.61553%0.534SS*.Hα-helixtrans-67.4-38.7178.5-77.3-178.1179.7177.9-0.5110.4K522 A523 E524 L528 Q529 E530K522-R526 WeakPolarHBondContact O-CG 3.49Å; K522-R526 PolarHBondContact O-N 2.95Å; A523-R526 PolarHBondContact O-N 3.23Å; E524-R526 VanDerWaalsContact C-N 3.27Å; E524-R526 PolarHBondContact O-N 3.48Å; R526-L528 VanDerWaalsContact C-N 3.25Å; R526-Q529 WeakPolarHBondContact O-CB 3.43Å; R526-Q529 PolarHBondContact O-N 3.38Å; R526-E530 PolarHBondContact O-N 2.96Å
527K81.8Confident82Confident144 Ų144109.6 Ų109.663%0.62653%0.526SS*.Hα-helixtrans-67.4-39.6179.2-79.7-176.2-174.8178.40110.7A523 E524 Q525 Q529 E530 I531A523-K527 WeakPolarHBondContact O-CG 3.25Å; A523-K527 PolarHBondContact O-N 3.38Å; E524-K527 PolarHBondContact O-N 2.86Å; Q525-K527 VanDerWaalsContact C-N 3.27Å; K527-Q529 PolarHBondContact O-N 3.38Å; K527-E530 WeakPolarHBondContact O-CB 3.18Å; K527-E530 PolarHBondContact O-N 3.14Å; K527-I531 VanDerWaalsContact O-CG1 3.22Å; K527-I531 WeakPolarHBondContact O-CG1 3.22Å; K527-I531 PolarHBondContact O-N 3.25Å; K527-I531 VanDerWaalsContact O-N 3.09Å
528L83.3Confident82.6Confident112 Ų112109.1 Ų109.159%0.58652%0.52SS*.Hα-helixtrans-62.9-34.9176-150.279.3000111.4E524 Q525 R526 E530 I531 M532E524-L528 WeakPolarHBondContact O-CB 3.15Å; E524-L528 PolarHBondContact O-N 3.28Å; Q525-L528 PolarHBondContact O-N 3.15Å; R526-L528 VanDerWaalsContact C-N 3.25Å; L528-E530 VanDerWaalsContact C-N 3.27Å; L528-E530 PolarHBondContact O-N 3.18Å; L528-I531 PolarHBondContact O-N 2.68Å; L528-M532 WeakPolarHBondContact O-CG 3.17Å; L528-M532 PolarHBondContact O-N 2.63Å
529Q82.7Confident83Confident125 Ų125118.2 Ų118.258%0.58455%0.548SS*.Hα-helixtrans-69.7-37178.3-76.1179.7200110.6Q525 R526 K527 I531 M532 I533Q525-Q529 WeakPolarHBondContact O-CG 3.44Å; Q525-Q529 PolarHBondContact O-N 3.3Å; R526-Q529 WeakPolarHBondContact O-CB 3.43Å; R526-Q529 PolarHBondContact O-N 3.38Å; K527-Q529 PolarHBondContact O-N 3.38Å; Q529-I531 PolarHBondContact O-N 3.22Å; Q529-M532 PolarHBondContact O-N 3.41Å; Q529-I533 WeakPolarHBondContact O-CG1 3.35Å
530E84.1Confident83.6Confident77 Ų77117.3 Ų117.336%0.3655%0.546SS..Hα-helixtrans-66.6-32.2179.8-171.1173.4178.100110.7R526 K527 L528 M532 Y541R526-E530 PolarHBondContact O-N 2.96Å; K527-E530 WeakPolarHBondContact O-CB 3.18Å; K527-E530 PolarHBondContact O-N 3.14Å; L528-E530 VanDerWaalsContact C-N 3.27Å; L528-E530 PolarHBondContact O-N 3.18Å; E530-M532 VanDerWaalsContact C-N 3.29Å; E530-M532 PolarHBondContact O-N 2.91Å; E530-Y541 HydrophobicContact CG-CD1 4.47Å; E530-Y541 HydrophobicContact CG-CE1 3.8Å
531I84.4Confident83.9Confident119 Ų119116.3 Ų116.361%0.6154%0.535SS*.Hα-helixtrans-77.6-21.8-178.4-67.4171.3000109.4K527 L528 Q529 I533K527-I531 VanDerWaalsContact O-CG1 3.22Å; K527-I531 WeakPolarHBondContact O-CG1 3.22Å; K527-I531 PolarHBondContact O-N 3.25Å; K527-I531 VanDerWaalsContact O-N 3.09Å; L528-I531 PolarHBondContact O-N 2.68Å; Q529-I531 PolarHBondContact O-N 3.22Å; I531-I533 VanDerWaalsContact C-N 3.32Å; I531-I533 PolarHBondContact O-N 3.39Å
532M86.8Confident84.3Confident151 Ų151118.6 Ų118.674%0.74454%0.544SS*.THydrogen-bonded Turntrans-85.9-3.2-176-78.2-173.883.800110.7L528 Q529 E530 P534L528-M532 WeakPolarHBondContact O-CG 3.17Å; L528-M532 PolarHBondContact O-N 2.63Å; Q529-M532 PolarHBondContact O-N 3.41Å; E530-M532 VanDerWaalsContact C-N 3.29Å; E530-M532 PolarHBondContact O-N 2.91Å; M532-P534 WeakPolarHBondContact O-CD 2.54Å
533I85.3Confident84.7Confident39 Ų39120.3 Ų120.320%0.255%0.551CS.*SBendtrans-77121.8179.5-65.1172.2000108.4Q529 I531 K535 Y541Q529-I533 WeakPolarHBondContact O-CG1 3.35Å; I531-I533 VanDerWaalsContact C-N 3.32Å; I531-I533 PolarHBondContact O-N 3.39Å; I533-K535 PolarHBondContact O-N 2.94Å; I533-Y541 HydrophobicContact CD1-CD1 3.75Å; I533-Y541 HydrophobicContact CD1-CD2 3.53Å; I533-Y541 HydrophobicContact CD1-CE1 3.97Å; I533-Y541 HydrophobicContact CD1-CE2 3.76Å; I533-Y541 HydrophobicContact CD1-CG 3.54Å
534P88.2Confident85Confident81 Ų81122.4 Ų122.453%0.52656%0.555SS.*  trans-49.7143.9178.3-2229.7000111.8M532 K536 Y537 R538M532-P534 WeakPolarHBondContact O-CD 2.54Å; P534-K536 PolarHBondContact O-N 3.29Å; P534-Y537 HydrophobicContact CB-CD2 3.98Å; P534-Y537 HydrophobicContact CG-CD2 4.05Å; P534-Y537 HydrophobicContact CG-CE2 4.49Å; P534-Y537 PolarHBondContact O-N 3.46Å; P534-R538 PolarHBondContact O-N 2.78Å
535K86.6Confident85.3Confident187 Ų187120 Ų12081%0.81354%0.542SS*.G310 helixtrans-55.9-33.7-174.1-77.8-174.1-178.1179.90111.1I533 Y537 R538I533-K535 PolarHBondContact O-N 2.94Å; K535-Y537 PolarHBondContact O-N 3.5Å; K535-R538 PolarHBondContact O-N 3.42Å
536K85.9Confident85.6Confident175 Ų175122.8 Ų122.876%0.76155%0.55SS*.G310 helixtrans-60.80-178.2-173.8178.9177.4-177.70111.5P534P534-K536 PolarHBondContact O-N 3.29Å
537Y87.3Confident85.8Confident133 Ų133116.3 Ų116.352%0.52253%0.534SS..G310 helix06.30-61.8-70.5000110.2P534 K535 R539 Y541P534-Y537 HydrophobicContact CB-CD2 3.98Å; P534-Y537 HydrophobicContact CG-CD2 4.05Å; P534-Y537 HydrophobicContact CG-CE2 4.49Å; P534-Y537 PolarHBondContact O-N 3.46Å; K535-Y537 PolarHBondContact O-N 3.5Å; Y537-R539 VanDerWaalsContact C-N 3.31Å; Y537-R539 PolarHBondContact O-N 3.28Å; Y537-Y541 WeakPolarHBondContact O-CB 3.5Å; Y537-Y541 PolarHBondContact O-N 3.28Å
538R86.6Confident85.8Confident103 Ų103115.1 Ų115.139%0.38953%0.531SS..Hα-helixtrans-68.2-40-174.5-163.9175.5-130.7-175.90.6110.4P534 K535 V540 Y541 K542P534-R538 PolarHBondContact O-N 2.78Å; K535-R538 PolarHBondContact O-N 3.42Å; R538-V540 VanDerWaalsContact C-N 3.35Å; R538-Y541 PolarHBondContact O-N 3.46Å; R538-K542 WeakPolarHBondContact O-CG 3.47Å; R538-K542 PolarHBondContact O-N 2.91Å
539R85.3Confident85.9Confident221 Ų221116.6 Ų116.683%0.83453%0.532SS*.Hα-helixtrans-63.9-46.1179.5-80.8-172.4-173.8172.9-0.2111.1Y537 Y541 K542 K543Y537-R539 VanDerWaalsContact C-N 3.31Å; Y537-R539 PolarHBondContact O-N 3.28Å; R539-Y541 VanDerWaalsContact C-N 3.26Å; R539-Y541 PolarHBondContact O-N 2.97Å; R539-K542 PolarHBondContact O-N 3.48Å; R539-K543 PolarHBondContact O-N 3.25Å
540V87.1Confident86Confident84 Ų84118.7 Ų118.751%0.50954%0.535SS..Hα-helixtrans-61.5-43.3-179.9174.80000109.5R538 K542 K543 I544R538-V540 VanDerWaalsContact C-N 3.35Å; V540-K542 VanDerWaalsContact C-N 3.34Å; V540-K542 PolarHBondContact O-N 2.97Å; V540-K543 WeakPolarHBondContact O-CB 3.49Å; V540-K543 PolarHBondContact O-N 2.86Å; V540-I544 HydrophobicContact CG1-CD1 3.9Å; V540-I544 HydrophobicContact CG1-CG1 4.35Å; V540-I544 WeakPolarHBondContact O-CG1 3.44Å; V540-I544 PolarHBondContact O-N 3.28Å
541Y86.8Confident85.9Confident58 Ų58120.3 Ų120.323%0.22754%0.54CS..Hα-helixtrans-60.3-47.8179175.6-101.5000110.4E530 I533 Y537 R538 R539 K543 I544 K545E530-Y541 HydrophobicContact CG-CD1 4.47Å; E530-Y541 HydrophobicContact CG-CE1 3.8Å; I533-Y541 HydrophobicContact CD1-CD1 3.75Å; I533-Y541 HydrophobicContact CD1-CD2 3.53Å; I533-Y541 HydrophobicContact CD1-CE1 3.97Å; I533-Y541 HydrophobicContact CD1-CE2 3.76Å; I533-Y541 HydrophobicContact CD1-CG 3.54Å; Y537-Y541 WeakPolarHBondContact O-CB 3.5Å; Y537-Y541 PolarHBondContact O-N 3.28Å; R538-Y541 PolarHBondContact O-N 3.46Å; R539-Y541 VanDerWaalsContact C-N 3.26Å; R539-Y541 PolarHBondContact O-N 2.97Å; Y541-K543 PolarHBondContact O-N 3.36Å; Y541-I544 PolarHBondContact O-N 3.31Å; Y541-I544 VanDerWaalsContact O-N 3.14Å; Y541-K545 HydrophobicContact CD1-CG 4.22Å; Y541-K545 HydrophobicContact CE1-CD 4.27Å; Y541-K545 HydrophobicContact CE1-CG 3.71Å; Y541-K545 HydrophobicContact CE2-CG 4.11Å; Y541-K545 WeakPolarHBondContact O-CB 3.26Å; Y541-K545 PolarHBondContact O-N 2.91Å; Y541-K545 WeakPolarHBondContact OH-CE 3.49Å; Y541-K545 PolarHBondContact OH-NZ 2.9Å
542K87.3Confident85.8Confident121 Ų121117.2 Ų117.253%0.52653%0.533SS..Hα-helixtrans-58.9-41.5178.8-77.2-176.3-176.9178.70111.1R538 R539 V540 I544 K545 Y546R538-K542 WeakPolarHBondContact O-CG 3.47Å; R538-K542 PolarHBondContact O-N 2.91Å; R539-K542 PolarHBondContact O-N 3.48Å; V540-K542 VanDerWaalsContact C-N 3.34Å; V540-K542 PolarHBondContact O-N 2.97Å; K542-I544 VanDerWaalsContact C-N 3.28Å; K542-I544 PolarHBondContact O-N 3.39Å; K542-K545 PolarHBondContact O-N 3.37Å; K542-Y546 VanDerWaalsContact O-CB 3.25Å; K542-Y546 WeakPolarHBondContact O-CB 3.49Å; K542-Y546 PolarHBondContact O-N 3.43Å
543K88.6Confident85.7Confident169 Ų169115.3 Ų115.374%0.73552%0.524SS*.Hα-helixtrans-63.1-37.1177.6-167.6172.9179.9178.70111.4R539 V540 Y541 K545 G547R539-K543 PolarHBondContact O-N 3.25Å; V540-K543 WeakPolarHBondContact O-CB 3.49Å; V540-K543 PolarHBondContact O-N 2.86Å; Y541-K543 PolarHBondContact O-N 3.36Å; K543-K545 VanDerWaalsContact C-N 3.33Å; K543-G547 PolarHBondContact O-N 2.92Å
544I86.2Confident85.7Confident90 Ų90118.7 Ų118.746%0.46254%0.54SS..Hα-helixtrans-70.2-41.1-179.8-70.2174.5000109.3V540 Y541 K542 G547 Q548V540-I544 HydrophobicContact CG1-CD1 3.9Å; V540-I544 HydrophobicContact CG1-CG1 4.35Å; V540-I544 WeakPolarHBondContact O-CG1 3.44Å; V540-I544 PolarHBondContact O-N 3.28Å; Y541-I544 PolarHBondContact O-N 3.31Å; Y541-I544 VanDerWaalsContact O-N 3.14Å; K542-I544 VanDerWaalsContact C-N 3.28Å; K542-I544 PolarHBondContact O-N 3.39Å; I544-G547 PolarHBondContact O-N 2.95Å; I544-Q548 HydrophobicContact CG2-CG 4.43Å; I544-Q548 VanDerWaalsContact O-CG 3.3Å; I544-Q548 WeakPolarHBondContact O-CG 3.42Å; I544-Q548 PolarHBondContact O-N 3.45Å
545K85.2Confident85.3Confident68 Ų68115.6 Ų115.630%0.29652%0.518SS..Hα-helixtrans-67.2-46.2-178.5-86.9-105-173-175.70110.3Y541 K542 K543 G547 Q548 K549Y541-K545 HydrophobicContact CD1-CG 4.22Å; Y541-K545 HydrophobicContact CE1-CD 4.27Å; Y541-K545 HydrophobicContact CE1-CG 3.71Å; Y541-K545 HydrophobicContact CE2-CG 4.11Å; Y541-K545 WeakPolarHBondContact O-CB 3.26Å; Y541-K545 PolarHBondContact O-N 2.91Å; Y541-K545 WeakPolarHBondContact OH-CE 3.49Å; Y541-K545 PolarHBondContact OH-NZ 2.9Å; K542-K545 PolarHBondContact O-N 3.37Å; K543-K545 VanDerWaalsContact C-N 3.33Å; K545-G547 VanDerWaalsContact C-N 3.26Å; K545-G547 PolarHBondContact O-N 3.42Å; K545-Q548 PolarHBondContact O-N 2.88Å; K545-Q548 VanDerWaalsContact O-N 3.11Å; K545-K549 WeakPolarHBondContact O-CG 3.16Å; K545-K549 PolarHBondContact O-N 3.47Å
546Y86.9Confident85Confident159 Ų159113.4 Ų113.462%0.62451%0.505SS*.Hα-helixtrans-54.50174.9-177.6-100.5000111.5K542 Q548 K549 R550K542-Y546 VanDerWaalsContact O-CB 3.25Å; K542-Y546 WeakPolarHBondContact O-CB 3.49Å; K542-Y546 PolarHBondContact O-N 3.43Å; Y546-Q548 VanDerWaalsContact C-N 3.29Å; Y546-Q548 PolarHBondContact O-N 2.74Å; Y546-K549 PolarHBondContact O-N 3Å; Y546-R550 WeakPolarHBondContact O-CB 3.5Å; Y546-R550 PolarHBondContact O-N 3.23Å
547G85.6Confident85Confident27 Ų27107.9 Ų107.928%0.27849%0.486SS..Hα-helix0-37.4000000112K543 I544 K545 K551K543-G547 PolarHBondContact O-N 2.92Å; I544-G547 PolarHBondContact O-N 2.95Å; K545-G547 VanDerWaalsContact C-N 3.26Å; K545-G547 PolarHBondContact O-N 3.42Å; G547-K551 WeakPolarHBondContact O-CB 3.21Å; G547-K551 VanDerWaalsContact O-CG 3.25Å; G547-K551 WeakPolarHBondContact O-CG 3.27Å; G547-K551 PolarHBondContact O-N 3.47Å
548Q82.2Confident84.8Confident119 Ų119104.8 Ų104.856%0.55648%0.478SS*.Hα-helixtrans-72.7-40.9-178.6-73.7-179.2-8.500110.4I544 K545 Y546 K551 A552I544-Q548 HydrophobicContact CG2-CG 4.43Å; I544-Q548 VanDerWaalsContact O-CG 3.3Å; I544-Q548 WeakPolarHBondContact O-CG 3.42Å; I544-Q548 PolarHBondContact O-N 3.45Å; K545-Q548 PolarHBondContact O-N 2.88Å; K545-Q548 VanDerWaalsContact O-N 3.11Å; Y546-Q548 VanDerWaalsContact C-N 3.29Å; Y546-Q548 PolarHBondContact O-N 2.74Å; Q548-K551 PolarHBondContact O-N 2.83Å; Q548-A552 WeakPolarHBondContact O-CB 3.48Å; Q548-A552 PolarHBondContact O-N 3.43Å
549K84.7Confident84.5Confident142 Ų142102.8 Ų102.862%0.61748%0.475SS*.Hα-helixtrans-63.2-47178.5-80.8-175.7-174.8179.20110.9K545 Y546 K551 A552 I553K545-K549 WeakPolarHBondContact O-CG 3.16Å; K545-K549 PolarHBondContact O-N 3.47Å; Y546-K549 PolarHBondContact O-N 3Å; K549-K551 PolarHBondContact O-N 3.24Å; K549-A552 PolarHBondContact O-N 2.86Å; K549-I553 WeakPolarHBondContact O-CG1 3.44Å; K549-I553 PolarHBondContact O-N 3.42Å
550R85.8Confident84.4Confident169 Ų16998.5 Ų98.564%0.63846%0.459SS*.Hα-helixtrans-55.7-44.5176.6-167.3178158.9-177.9-0.9111.4Y546 A552 I553 E554Y546-R550 WeakPolarHBondContact O-CB 3.5Å; Y546-R550 PolarHBondContact O-N 3.23Å; R550-A552 VanDerWaalsContact C-N 3.3Å; R550-A552 PolarHBondContact O-N 3.32Å; R550-I553 PolarHBondContact O-N 3.26Å; R550-E554 PolarHBondContact O-N 2.83Å
551K81.7Confident84.3Confident111 Ų111100.9 Ų100.948%0.48346%0.462SS..Hα-helixtrans-65.6-40.9179.9-78.4-177.8-176.4178.90110.6G547 Q548 K549 I553 E554 N555G547-K551 WeakPolarHBondContact O-CB 3.21Å; G547-K551 VanDerWaalsContact O-CG 3.25Å; G547-K551 WeakPolarHBondContact O-CG 3.27Å; G547-K551 PolarHBondContact O-N 3.47Å; Q548-K551 PolarHBondContact O-N 2.83Å; K549-K551 PolarHBondContact O-N 3.24Å; K551-I553 VanDerWaalsContact C-N 3.25Å; K551-I553 PolarHBondContact O-N 2.9Å; K551-E554 WeakPolarHBondContact O-CB 3.32Å; K551-E554 PolarHBondContact O-N 3.24Å; K551-N555 WeakPolarHBondContact O-CB 3.26Å; K551-N555 VanDerWaalsContact O-CG 3.26Å; K551-N555 PolarHBondContact O-N 3.06Å; K551-N555 PolarHBondContact O-ND2 3.38Å
552A81.8Confident83.8Confident55 Ų55100.5 Ų100.546%0.45546%0.461SS..Hα-helixtrans-62.7-41.6-179.600000110.4Q548 K549 R550 E554 N555 R556Q548-A552 WeakPolarHBondContact O-CB 3.48Å; Q548-A552 PolarHBondContact O-N 3.43Å; K549-A552 PolarHBondContact O-N 2.86Å; R550-A552 VanDerWaalsContact C-N 3.3Å; R550-A552 PolarHBondContact O-N 3.32Å; A552-E554 VanDerWaalsContact C-N 3.31Å; A552-N555 PolarHBondContact O-N 2.72Å; A552-R556 WeakPolarHBondContact O-CB 3.49Å; A552-R556 PolarHBondContact O-N 3.37Å
553I85.3Confident83.6Confident110 Ų11098 Ų9856%0.56445%0.451SS*.Hα-helixtrans-62.9-46.4178.1-68.4171.7000110K549 R550 K551 N555 R556 T557K549-I553 WeakPolarHBondContact O-CG1 3.44Å; K549-I553 PolarHBondContact O-N 3.42Å; R550-I553 PolarHBondContact O-N 3.26Å; K551-I553 VanDerWaalsContact C-N 3.25Å; K551-I553 PolarHBondContact O-N 2.9Å; I553-N555 PolarHBondContact O-N 3.14Å; I553-R556 PolarHBondContact O-N 3.37Å; I553-T557 PolarHBondContact O-N 3.47Å; I553-T557 PolarHBondContact O-OG1 3.11Å
554E83.9Confident83.4Confident111 Ų11192.8 Ų92.852%0.51944%0.439SS..Hα-helixtrans-58.5-42.3177.7-167.2175.7178.400111.5R550 K551 A552 R556 T557 L558R550-E554 PolarHBondContact O-N 2.83Å; K551-E554 WeakPolarHBondContact O-CB 3.32Å; K551-E554 PolarHBondContact O-N 3.24Å; A552-E554 VanDerWaalsContact C-N 3.31Å; E554-R556 VanDerWaalsContact C-N 3.26Å; E554-R556 PolarHBondContact O-N 2.86Å; E554-T557 WeakPolarHBondContact O-CB 3.44Å; E554-T557 PolarHBondContact O-N 2.89Å; E554-L558 VanDerWaalsContact O-CG 3.26Å; E554-L558 WeakPolarHBondContact O-CG 3.35Å; E554-L558 PolarHBondContact O-N 3.24Å
555N80.3Confident83.2Confident15 Ų1595.1 Ų95.18%0.0845%0.452CS..Hα-helixtrans-64.6-39.2-179.8-79.1-14.9000110.8G443 Y445 K551 A552 I553 T557 L558 L559G443-N555 VanDerWaalsContact O-CG 3.26Å; G443-N555 PolarHBondContact O-ND2 3.42Å; Y445-N555 WeakPolarHBondContact CB-OD1 3.4Å; Y445-N555 PolarHBondContact N-OD1 3.36Å; K551-N555 WeakPolarHBondContact O-CB 3.26Å; K551-N555 VanDerWaalsContact O-CG 3.26Å; K551-N555 PolarHBondContact O-N 3.06Å; K551-N555 PolarHBondContact O-ND2 3.38Å; A552-N555 PolarHBondContact O-N 2.72Å; I553-N555 PolarHBondContact O-N 3.14Å; N555-T557 VanDerWaalsContact C-N 3.29Å; N555-L558 PolarHBondContact O-N 3.42Å; N555-L559 WeakPolarHBondContact O-CG 3.46Å; N555-L559 PolarHBondContact O-N 2.94Å
556R81.4Confident82.8Confident141 Ų14196.5 Ų96.553%0.53246%0.459SS..Hα-helixtrans-65.8-42.5179.3-168.9176.7176.1173.7-1.9110.7A552 I553 E554 L558 L559 R560A552-R556 WeakPolarHBondContact O-CB 3.49Å; A552-R556 PolarHBondContact O-N 3.37Å; I553-R556 PolarHBondContact O-N 3.37Å; E554-R556 VanDerWaalsContact C-N 3.26Å; E554-R556 PolarHBondContact O-N 2.86Å; R556-L558 PolarHBondContact O-N 2.88Å; R556-L559 PolarHBondContact O-N 3.13Å; R556-R560 WeakPolarHBondContact O-CB 3.18Å; R556-R560 WeakPolarHBondContact O-CG 3.47Å; R556-R560 PolarHBondContact O-N 3.36Å
557T85.8Confident82.4Confident60 Ų6097.1 Ų97.137%0.36847%0.468SS..Hα-helixtrans-58.8-42.1176.5-56.40000111.2I553 E554 N555 L559 R560 K561I553-T557 PolarHBondContact O-N 3.47Å; I553-T557 PolarHBondContact O-OG1 3.11Å; E554-T557 WeakPolarHBondContact O-CB 3.44Å; E554-T557 PolarHBondContact O-N 2.89Å; N555-T557 VanDerWaalsContact C-N 3.29Å; T557-L559 VanDerWaalsContact C-N 3.3Å; T557-R560 WeakPolarHBondContact O-CB 3.37Å; T557-R560 PolarHBondContact O-N 3.24Å; T557-K561 HydrophobicContact CG2-CD 4.45Å; T557-K561 HydrophobicContact CG2-CG 4.46Å; T557-K561 VanDerWaalsContact O-CG 3.32Å; T557-K561 WeakPolarHBondContact O-CG 3.46Å; T557-K561 PolarHBondContact O-N 3.35Å
558L82.3Confident81.3Confident68 Ų68101 Ų10136%0.35651%0.508SS..Hα-helixtrans-66.4-40.1-179-73.7176.4000110.7Y445 E554 N555 R556 R560 K561 R562Y445-L558 HydrophobicContact CD1-CD1 4.44Å; Y445-L558 HydrophobicContact CD2-CB 4.44Å; Y445-L558 HydrophobicContact CG-CB 4.42Å; Y445-L558 HydrophobicContact CG-CD1 4.43Å; E554-L558 VanDerWaalsContact O-CG 3.26Å; E554-L558 WeakPolarHBondContact O-CG 3.35Å; E554-L558 PolarHBondContact O-N 3.24Å; N555-L558 PolarHBondContact O-N 3.42Å; R556-L558 PolarHBondContact O-N 2.88Å; L558-R560 PolarHBondContact O-N 3.07Å; L558-K561 PolarHBondContact O-N 2.94Å; L558-R562 WeakPolarHBondContact O-CB 3.4Å; L558-R562 PolarHBondContact O-N 3.4Å
559L81.3Confident81.3Confident61 Ų61100.1 Ų100.132%0.31951%0.506SS..Hα-helixtrans-64.1-38.4178.8-77.8168.2000110.4Y445 N555 R556 T557 R562 Q563Y445-L559 HydrophobicContact CD2-CD2 3.58Å; Y445-L559 HydrophobicContact CD2-CG 3.76Å; Y445-L559 HydrophobicContact CE2-CD2 3.22Å; Y445-L559 HydrophobicContact CE2-CG 3.79Å; N555-L559 WeakPolarHBondContact O-CG 3.46Å; N555-L559 PolarHBondContact O-N 2.94Å; R556-L559 PolarHBondContact O-N 3.13Å; T557-L559 VanDerWaalsContact C-N 3.3Å; L559-R562 PolarHBondContact O-N 2.93Å; L559-Q563 VanDerWaalsContact O-CG 3.26Å; L559-Q563 WeakPolarHBondContact O-CG 3.24Å; L559-Q563 PolarHBondContact O-N 3.25Å
560R83Confident81.1Confident130 Ų13097.9 Ų97.949%0.49150%0.5SS..Hα-helixtrans-66.3-46.5179.1-81.2-174.6-175.8165.71.4110.7R556 T557 L558 R562 Q563 A564R556-R560 WeakPolarHBondContact O-CB 3.18Å; R556-R560 WeakPolarHBondContact O-CG 3.47Å; R556-R560 PolarHBondContact O-N 3.36Å; T557-R560 WeakPolarHBondContact O-CB 3.37Å; T557-R560 PolarHBondContact O-N 3.24Å; L558-R560 PolarHBondContact O-N 3.07Å; R560-R562 PolarHBondContact O-N 3.38Å; R560-Q563 PolarHBondContact O-N 3.19Å; R560-A564 PolarHBondContact O-N 3.31Å
561K84.9Confident80.8Confident135 Ų13593.9 Ų93.959%0.58749%0.492SS*.Hα-helixtrans-58.1-39178.5-76-174.3-179.9177.20111.6T557 L558 A564 L565T557-K561 HydrophobicContact CG2-CD 4.45Å; T557-K561 HydrophobicContact CG2-CG 4.46Å; T557-K561 VanDerWaalsContact O-CG 3.32Å; T557-K561 WeakPolarHBondContact O-CG 3.46Å; T557-K561 PolarHBondContact O-N 3.35Å; L558-K561 PolarHBondContact O-N 2.94Å; K561-A564 WeakPolarHBondContact O-CB 3.43Å; K561-A564 PolarHBondContact O-N 3.4Å; K561-L565 WeakPolarHBondContact O-CG 3.47Å; K561-L565 PolarHBondContact O-N 2.95Å
562R75.3Confident80.8Confident50 Ų5092.9 Ų92.919%0.18949%0.493CS..Hα-helixtrans-67.10179.4-178.1171.7-175.1172.6-0.5110.6Y445 R448 L558 L559 R560 A564 L565 E566Y445-R562 WeakPolarHBondContact OH-CD 3.42Å; Y445-R562 PolarHBondContact OH-NE 3.06Å; Y445-R562 PolarHBondContact OH-NH1 3.05Å; R448-R562 VanDerWaalsContact CB-CZ 3.47Å; R448-R562 VanDerWaalsContact CG-NH1 3.26Å; L558-R562 WeakPolarHBondContact O-CB 3.4Å; L558-R562 PolarHBondContact O-N 3.4Å; L559-R562 PolarHBondContact O-N 2.93Å; R560-R562 PolarHBondContact O-N 3.38Å; R562-A564 PolarHBondContact O-N 2.9Å; R562-L565 WeakPolarHBondContact O-CA 3.27Å; R562-L565 WeakPolarHBondContact O-CB 3.45Å; R562-L565 PolarHBondContact O-N 3.25Å; R562-E566 IonicContact NE-OE1 3.98Å; R562-E566 PolarHBondContact O-N 3.14Å
563Q82.6Confident80.7Confident69 Ų6995.3 Ų95.332%0.32250%0.495SS..Hα-helix0-33.20-75177.9-4.300110.6L559 R560 E566 Q567L559-Q563 VanDerWaalsContact O-CG 3.26Å; L559-Q563 WeakPolarHBondContact O-CG 3.24Å; L559-Q563 PolarHBondContact O-N 3.25Å; R560-Q563 PolarHBondContact O-N 3.19Å; Q563-E566 PolarHBondContact O-N 3.25Å; Q563-Q567 VanDerWaalsContact O-CG 3.27Å; Q563-Q567 WeakPolarHBondContact O-CG 3.48Å; Q563-Q567 PolarHBondContact O-N 3.08Å
564A85.8Confident80.4Confident59 Ų5994.3 Ų94.349%0.48849%0.49SS..Hα-helixtrans-68.3-37.7177.200000111.4R560 K561 R562 E566 Q567 G568R560-A564 PolarHBondContact O-N 3.31Å; K561-A564 WeakPolarHBondContact O-CB 3.43Å; K561-A564 PolarHBondContact O-N 3.4Å; R562-A564 PolarHBondContact O-N 2.9Å; A564-E566 VanDerWaalsContact C-N 3.31Å; A564-Q567 PolarHBondContact O-N 3.07Å; A564-G568 PolarHBondContact O-N 3.38Å; A564-G568 VanDerWaalsContact O-N 3.08Å
565L81Confident80.2Confident138 Ų13893.1 Ų93.172%0.72349%0.488SS*.Hα-helixtrans-70.1-31.5179.1-76172.1000111K561 R562 Q567 G568K561-L565 WeakPolarHBondContact O-CG 3.47Å; K561-L565 PolarHBondContact O-N 2.95Å; R562-L565 WeakPolarHBondContact O-CA 3.27Å; R562-L565 WeakPolarHBondContact O-CB 3.45Å; R562-L565 PolarHBondContact O-N 3.25Å; L565-Q567 VanDerWaalsContact C-N 3.29Å; L565-G568 PolarHBondContact O-N 2.81Å
566E77.4Confident80.2Confident98 Ų9899.2 Ų99.246%0.45852%0.52SS..Hα-helixtrans-76.40-178.6-76.9-178.3173.300110.6R448 R562 Q563 A564R448-E566 IonicContact CZ-OE1 3.69Å; R448-E566 VanDerWaalsContact CZ-OE1 3.22Å; R448-E566 IonicContact CZ-OE2 3.7Å; R448-E566 IonicContact NE-OE1 3.43Å; R448-E566 IonicContact NH1-OE1 2.63Å; R448-E566 PolarHBondContact NH1-OE1 3.24Å; R448-E566 IonicContact NH1-OE2 3.22Å; R448-E566 PolarHBondContact NH1-OE2 2.94Å; R448-E566 IonicContact NH2-OE1 3.37Å; R448-E566 IonicContact NH2-OE2 3.23Å; R448-E566 PolarHBondContact NH2-OE2 3.43Å; R562-E566 IonicContact NE-OE1 3.98Å; R562-E566 PolarHBondContact O-N 3.14Å; Q563-E566 PolarHBondContact O-N 3.25Å; A564-E566 VanDerWaalsContact C-N 3.31Å
567Q79.6Confident80.1Confident171 Ų17195.7 Ų95.780%0.79952%0.519SS*.Hα-helix000-71.9178.32.100110.4Q563 A564 L565Q563-Q567 VanDerWaalsContact O-CG 3.27Å; Q563-Q567 WeakPolarHBondContact O-CG 3.48Å; Q563-Q567 PolarHBondContact O-N 3.08Å; A564-Q567 PolarHBondContact O-N 3.07Å; L565-Q567 VanDerWaalsContact C-N 3.29Å
568G62Low79.6Confident109 Ų10998.9 Ų98.9100%1.12453%0.532SS*.  00000000111.9A564 L565A564-G568 PolarHBondContact O-N 3.38Å; A564-G568 VanDerWaalsContact O-N 3.08Å; L565-G568 PolarHBondContact O-N 2.81Å

Retrieved 568 of 568 residues in 257.4 ms (Link to these results)

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